smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC001139409255 768472389 /nfs/dbraw/zinc/47/23/89/768472389.db2.gz XYRHJRHWCPBBHX-SJLPKXTDSA-N 2 0 319.449 0.614 20 10 DCCDRP CC[NH+]1CCN(c2ccc(C[NH+]3CC(C(N)=O)C3)cc2)CC1 ZINC001140304061 768524616 /nfs/dbraw/zinc/52/46/16/768524616.db2.gz GTNXKSAYVZPYPZ-UHFFFAOYSA-N 2 0 302.422 0.746 20 10 DCCDRP Cc1cc(F)cc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1O ZINC001235874642 769957067 /nfs/dbraw/zinc/95/70/67/769957067.db2.gz UMEIUJLBHGTEAB-UHFFFAOYSA-N 2 0 310.417 0.424 20 10 DCCDRP C[C@@H]1C[C@@H]([NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046889 769972594 /nfs/dbraw/zinc/97/25/94/769972594.db2.gz JHYLMRCYYSBWHU-UKRRQHHQSA-N 2 0 304.438 0.971 20 10 DCCDRP CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892143845 658222240 /nfs/dbraw/zinc/22/22/40/658222240.db2.gz GDLMNMPEENEVDH-OAHLLOKOSA-N 2 0 319.453 0.975 20 10 DCCDRP C[NH2+]CCN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892939680 659524114 /nfs/dbraw/zinc/52/41/14/659524114.db2.gz NLXXTLYPTXADBZ-UHFFFAOYSA-N 2 0 319.453 0.799 20 10 DCCDRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000876505752 668457553 /nfs/dbraw/zinc/45/75/53/668457553.db2.gz AYJAPADDZGAODE-UXLLHSPISA-N 2 0 320.437 0.636 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000876506190 668457809 /nfs/dbraw/zinc/45/78/09/668457809.db2.gz GZRNLZDVHYHZFD-DOTOQJQBSA-N 2 0 320.437 0.624 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000877749403 668645397 /nfs/dbraw/zinc/64/53/97/668645397.db2.gz KBDFQGWNDBARNL-SJORKVTESA-N 2 0 305.422 0.366 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@]3(O)CCOC3)cc2)CC1 ZINC000771856483 668757178 /nfs/dbraw/zinc/75/71/78/668757178.db2.gz AOWGLCNPGJLVBW-QGZVFWFLSA-N 2 0 305.422 0.679 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC[C@H]3C[NH2+]CCCO3)cc2)CC1 ZINC000841087739 671912380 /nfs/dbraw/zinc/91/23/80/671912380.db2.gz VPNDCGMTGFDEGV-GOSISDBHSA-N 2 0 318.465 0.907 20 10 DCCDRP CON(C)C(=O)C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001119450547 766682525 /nfs/dbraw/zinc/68/25/25/766682525.db2.gz SSMLGOHGMOMWJX-UHFFFAOYSA-N 2 0 324.400 0.687 20 10 DCCDRP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139256346 768464195 /nfs/dbraw/zinc/46/41/95/768464195.db2.gz ZHTQDESFIUSXHM-KGLIPLIRSA-N 2 0 310.394 0.247 20 10 DCCDRP Oc1cc2c(cc1CN1CCNC[C@]13CC[NH2+]C3)C[NH2+]CCO2 ZINC001234987360 769734285 /nfs/dbraw/zinc/73/42/85/769734285.db2.gz FXNXIEHTBBDZPH-QGZVFWFLSA-N 2 0 318.421 0.012 20 10 DCCDRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236605838 770013908 /nfs/dbraw/zinc/01/39/08/770013908.db2.gz VNRVDKJHWJXNFS-QGZVFWFLSA-N 3 0 304.438 0.973 20 10 DCCDRP [NH3+][C@@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)C1CC[NH2+]CC1 ZINC001160924269 772138355 /nfs/dbraw/zinc/13/83/55/772138355.db2.gz GVSJUIPYQGQJME-MRXNPFEDSA-N 2 0 319.405 0.700 20 10 DCCDRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001161158553 772178578 /nfs/dbraw/zinc/17/85/78/772178578.db2.gz WYDVVHWJQGPACG-CYBMUJFWSA-N 2 0 323.393 0.523 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H]([NH3+])[C@H](O)C3)cc2)CC1 ZINC001205953237 773035660 /nfs/dbraw/zinc/03/56/60/773035660.db2.gz POVUAVVUKLAVTI-IAGOWNOFSA-N 2 0 304.438 0.332 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H](O)[C@H]([NH3+])C3)c(F)c2)CC1 ZINC001206102037 773047499 /nfs/dbraw/zinc/04/74/99/773047499.db2.gz LDYCGEUOZKMQLH-IAGOWNOFSA-N 2 0 322.428 0.471 20 10 DCCDRP [NH3+][C@@H]1C[C@@H](F)CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206437446 773076760 /nfs/dbraw/zinc/07/67/60/773076760.db2.gz VUMXQLPFIHMOEN-ZIAGYGMSSA-N 2 0 308.401 0.673 20 10 DCCDRP CCCOC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001245987076 945307457 /nfs/dbraw/zinc/30/74/57/945307457.db2.gz IQYNZMOKLUDMIZ-QGZVFWFLSA-N 2 0 307.438 0.973 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)[C@@H]3CCOC3)cc2)CC1 ZINC001461392340 1013022236 /nfs/dbraw/zinc/02/22/36/1013022236.db2.gz LMCNMDCGGMAZEQ-SJLPKXTDSA-N 2 0 319.449 0.925 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCCC[NH3+])cc2)CC1 ZINC000891986261 658070763 /nfs/dbraw/zinc/07/07/63/658070763.db2.gz FTPITGHHKQNREK-UHFFFAOYSA-N 2 0 305.426 0.586 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]23CC[C@H]2C[NH2+]C3)cc1 ZINC000911667284 664096918 /nfs/dbraw/zinc/09/69/18/664096918.db2.gz PPAWMMAISZEVAD-LXZKKBNFSA-N 2 0 302.422 0.868 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3COCCN3)cc2)CC1 ZINC000863482591 667148142 /nfs/dbraw/zinc/14/81/42/667148142.db2.gz FPOPHGBFDAQXDO-MRXNPFEDSA-N 2 0 304.438 0.516 20 10 DCCDRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267408 671712721 /nfs/dbraw/zinc/71/27/21/671712721.db2.gz RQESNZDYIHSRQD-ZIAGYGMSSA-N 2 0 322.409 0.149 20 10 DCCDRP CCON(C)C(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846063919 672291816 /nfs/dbraw/zinc/29/18/16/672291816.db2.gz JIVVUXIPOIHFQH-UHFFFAOYSA-N 2 0 320.437 0.938 20 10 DCCDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(O)c(O)c(O)c1 ZINC001148591430 768021324 /nfs/dbraw/zinc/02/13/24/768021324.db2.gz ZYAPFNIKQBHLMX-UHFFFAOYSA-N 2 0 310.354 0.481 20 10 DCCDRP Oc1cc2c(cc1CN1CCOCC13C[NH2+]C3)C[NH2+]CCO2 ZINC001235016860 769743509 /nfs/dbraw/zinc/74/35/09/769743509.db2.gz TTYCNVICRNVHRX-UHFFFAOYSA-N 2 0 305.378 0.048 20 10 DCCDRP C[C@H]1C[C@H]([NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046890 769971850 /nfs/dbraw/zinc/97/18/50/769971850.db2.gz JHYLMRCYYSBWHU-ZFWWWQNUSA-N 2 0 304.438 0.971 20 10 DCCDRP COCCN(Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CC[NH2+]C1 ZINC001236335342 769996641 /nfs/dbraw/zinc/99/66/41/769996641.db2.gz TZJUWAXXCKOGRE-SFHVURJKSA-N 2 0 318.465 0.907 20 10 DCCDRP COC(=O)[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1[NH3+] ZINC001236349493 770002797 /nfs/dbraw/zinc/00/27/97/770002797.db2.gz PCCLRMMLFPWVGO-JKSUJKDBSA-N 2 0 318.421 0.028 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2CC[C@H]1C[NH2+]2 ZINC001236428964 770011102 /nfs/dbraw/zinc/01/11/02/770011102.db2.gz ZRRGPYLWPGRRFK-HOCLYGCPSA-N 2 0 302.422 0.738 20 10 DCCDRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205681465 773006433 /nfs/dbraw/zinc/00/64/33/773006433.db2.gz JTFXIWOLYAPUET-SFHVURJKSA-N 3 0 318.465 0.772 20 10 DCCDRP C[C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1[NH3+] ZINC001206043579 773041885 /nfs/dbraw/zinc/04/18/85/773041885.db2.gz LWQOCXGPWPWRFC-CZUORRHYSA-N 2 0 304.438 0.971 20 10 DCCDRP COC[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001210051507 773671231 /nfs/dbraw/zinc/67/12/31/773671231.db2.gz QCDJKNFBRNMKJW-MRXNPFEDSA-N 2 0 304.438 0.516 20 10 DCCDRP c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246105319 945337022 /nfs/dbraw/zinc/33/70/22/945337022.db2.gz APCJFGVKBPWGPJ-INIZCTEOSA-N 2 0 316.449 0.707 20 10 DCCDRP CN1CCN(c2ccc(C[N@H+](C)CCC(N)=O)cc2F)CC1 ZINC001327418132 948504414 /nfs/dbraw/zinc/50/44/14/948504414.db2.gz FPBLLUNEXLHOFP-UHFFFAOYSA-N 2 0 308.401 0.885 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CCOC4(C[NH2+]C4)C3)cc2)CC1 ZINC001329996920 950043811 /nfs/dbraw/zinc/04/38/11/950043811.db2.gz YVKKDROPPAXDAD-UHFFFAOYSA-N 2 0 316.449 0.613 20 10 DCCDRP CN(C)c1ccc([C@H](CNC(=O)C[C@@H](O)C[NH3+])[NH+](C)C)cc1 ZINC001342295096 953282186 /nfs/dbraw/zinc/28/21/86/953282186.db2.gz ZOKXJELTSFWJHS-CABCVRRESA-N 2 0 308.426 0.181 20 10 DCCDRP c1cc(N2CCOCC2)ccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841041647 662984859 /nfs/dbraw/zinc/98/48/59/662984859.db2.gz CPHIHWVMCZYATJ-UHFFFAOYSA-N 2 0 304.438 0.518 20 10 DCCDRP CN(C)c1ccc([C@H](N)C[NH2+]C2CCN(CC[NH3+])CC2)cc1 ZINC000904354447 663509902 /nfs/dbraw/zinc/50/99/02/663509902.db2.gz YQDWCAYMOYJSGY-QGZVFWFLSA-N 2 0 305.470 0.765 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@H+](CCO)CCCO)cc2)CC1 ZINC000775692736 668866593 /nfs/dbraw/zinc/86/65/93/668866593.db2.gz OUCSLPZRUXAEFO-UHFFFAOYSA-N 2 0 307.438 0.615 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3CO)cc2)CC1 ZINC000775996805 668870021 /nfs/dbraw/zinc/87/00/21/668870021.db2.gz WIIAYFJCHDPBTE-DLBZAZTESA-N 2 0 305.422 0.366 20 10 DCCDRP CON(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000858319739 670992480 /nfs/dbraw/zinc/99/24/80/670992480.db2.gz QIVKTBOSXWEOQT-AWEZNQCLSA-N 2 0 320.437 0.936 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CC[C@H](O)C3)cc2)CC1 ZINC000858338593 670994239 /nfs/dbraw/zinc/99/42/39/670994239.db2.gz HZPDKEOUABPBEP-SFHVURJKSA-N 2 0 318.465 0.595 20 10 DCCDRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267407 671712780 /nfs/dbraw/zinc/71/27/80/671712780.db2.gz RQESNZDYIHSRQD-UONOGXRCSA-N 2 0 322.409 0.149 20 10 DCCDRP COc1cc(C)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c(O)c1 ZINC001235874133 769957437 /nfs/dbraw/zinc/95/74/37/769957437.db2.gz LDXAIMLEWXCKKD-UHFFFAOYSA-N 2 0 322.453 0.294 20 10 DCCDRP CN1CCOc2cc(C[N@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])ccc21 ZINC001235999176 769966507 /nfs/dbraw/zinc/96/65/07/769966507.db2.gz YAJJZKCLFKPCHO-VMZNBEPHSA-N 2 0 303.406 0.921 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206520324 773084138 /nfs/dbraw/zinc/08/41/38/773084138.db2.gz UJQWASBVADZKOG-RDJZCZTQSA-N 3 0 304.438 0.190 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CO)COC3)cc2)CC1 ZINC001201566152 774525551 /nfs/dbraw/zinc/52/55/51/774525551.db2.gz AJRLHPORXXUGHD-UHFFFAOYSA-N 2 0 305.422 0.537 20 10 DCCDRP COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1O ZINC000316075087 774918035 /nfs/dbraw/zinc/91/80/35/774918035.db2.gz IAUDEIBYPWLHQZ-CYBMUJFWSA-N 2 0 307.394 0.688 20 10 DCCDRP CCOC(=O)C1=C(NC(=O)C[C@@H]([NH3+])c2ccccc2O)C[NH2+]C1 ZINC001220830035 774928704 /nfs/dbraw/zinc/92/87/04/774928704.db2.gz LCFYIRGGAUWXFI-GFCCVEGCSA-N 2 0 319.361 0.319 20 10 DCCDRP COc1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc(O)c1O ZINC001222086490 775267078 /nfs/dbraw/zinc/26/70/78/775267078.db2.gz ZHFDCVOGOMVEQK-UHFFFAOYSA-N 2 0 307.394 0.634 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC2(C[NH2+]C2)CC1 ZINC001222203167 775299292 /nfs/dbraw/zinc/29/92/92/775299292.db2.gz HGEXYHPEQGBFDH-UHFFFAOYSA-N 3 0 316.449 0.987 20 10 DCCDRP Nc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001337838946 952921134 /nfs/dbraw/zinc/92/11/34/952921134.db2.gz WCCMXLCVWLNTRJ-KFWWJZLASA-N 2 0 302.378 0.636 20 10 DCCDRP C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001209873920 747022242 /nfs/dbraw/zinc/02/22/42/747022242.db2.gz HEIPOALZPKGOIS-OKILXGFUSA-N 2 0 304.438 0.984 20 10 DCCDRP COc1cc(CN2CCC[C@H]2C(N)=O)cc(C[NH+](C)C)c1O ZINC001139252918 768463040 /nfs/dbraw/zinc/46/30/40/768463040.db2.gz FINKSGGMBAYLOK-ZDUSSCGKSA-N 2 0 307.394 0.912 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CCOC[C@@H](O)C3)c(F)c2)CC1 ZINC001236937313 770024467 /nfs/dbraw/zinc/02/44/67/770024467.db2.gz YYZNSVLLNCTCMC-INIZCTEOSA-N 2 0 323.412 0.771 20 10 DCCDRP COC[C@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001210545842 773719472 /nfs/dbraw/zinc/71/94/72/773719472.db2.gz RSAKRSYPDCBFIZ-CQSZACIVSA-N 2 0 307.394 0.294 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001218079240 774212093 /nfs/dbraw/zinc/21/20/93/774212093.db2.gz WXTQIDJEPDJAQJ-RDJZCZTQSA-N 2 0 302.422 0.521 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]21 ZINC001218120829 774213179 /nfs/dbraw/zinc/21/31/79/774213179.db2.gz VSVMOGDBKIQXLH-ULQDDVLXSA-N 2 0 303.406 0.994 20 10 DCCDRP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[NH+](C)C)cc1 ZINC001341512711 953234779 /nfs/dbraw/zinc/23/47/79/953234779.db2.gz LPGOGVUNDGBCLX-ARFHVFGLSA-N 2 0 320.437 0.588 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C34CC(C3)C[NH2+]4)cc2)CC1 ZINC001342375818 953286600 /nfs/dbraw/zinc/28/66/00/953286600.db2.gz DVZDYQINMCLLGN-UHFFFAOYSA-N 2 0 314.433 0.807 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CC[NH2+]CC3)cc2)CC1 ZINC000841045228 663043604 /nfs/dbraw/zinc/04/36/04/663043604.db2.gz PPOURDXLKOHNMB-UHFFFAOYSA-N 2 0 317.481 0.433 20 10 DCCDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000872255204 667883097 /nfs/dbraw/zinc/88/30/97/667883097.db2.gz RDBMCDGBLOJURQ-GUTXKFCHSA-N 2 0 303.362 0.759 20 10 DCCDRP Cc1ccc(O)c(CNC(=O)NCCN2CCC([NH3+])CC2)c1 ZINC001579723556 1165382428 /nfs/dbraw/zinc/38/24/28/1165382428.db2.gz OFSNUPWRCIPTAB-UHFFFAOYSA-N 2 0 306.410 0.923 20 10 DCCDRP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001119418593 766670461 /nfs/dbraw/zinc/67/04/61/766670461.db2.gz FULJJCRHJXVMQU-CQSZACIVSA-N 2 0 319.453 0.846 20 10 DCCDRP COc1cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255733 768464343 /nfs/dbraw/zinc/46/43/43/768464343.db2.gz RSRIMCAUVXVYTC-UKRRQHHQSA-N 2 0 324.421 0.638 20 10 DCCDRP CCOC(=O)CN(CC[NH3+])Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235825423 769950333 /nfs/dbraw/zinc/95/03/33/769950333.db2.gz MSWUFKPJZUENJR-UHFFFAOYSA-N 2 0 320.437 0.420 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235939170 769963240 /nfs/dbraw/zinc/96/32/40/769963240.db2.gz OBTZLDVMQZPQOY-GDBMZVCRSA-N 3 0 316.449 0.843 20 10 DCCDRP C[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H](C)[NH2+]1 ZINC001236424668 770011363 /nfs/dbraw/zinc/01/13/63/770011363.db2.gz PYPYKIDKVSGXGR-KBPBESRZSA-N 2 0 304.438 0.984 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)c(F)c2)CC1 ZINC001236935979 770024887 /nfs/dbraw/zinc/02/48/87/770024887.db2.gz MZHFXRPBJJJHQL-PBHICJAKSA-N 2 0 323.412 0.363 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC001331429956 951120247 /nfs/dbraw/zinc/12/02/47/951120247.db2.gz BYPXFYATVSIFSC-UHFFFAOYSA-N 2 0 319.453 0.975 20 10 DCCDRP COCC[NH2+]CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001337068978 952806648 /nfs/dbraw/zinc/80/66/48/952806648.db2.gz NEEXAYRTWWLNQL-UHFFFAOYSA-N 2 0 320.437 0.291 20 10 DCCDRP C[C@@H](NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)[NH3+] ZINC000892145150 658221823 /nfs/dbraw/zinc/22/18/23/658221823.db2.gz LDWNQWYKJCLEFO-UONOGXRCSA-N 2 0 319.453 0.973 20 10 DCCDRP C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923319202 667504445 /nfs/dbraw/zinc/50/44/45/667504445.db2.gz MMHKYWISXZWHOA-XIRDDKMYSA-N 2 0 305.422 0.806 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876506757 668457787 /nfs/dbraw/zinc/45/77/87/668457787.db2.gz OEOMTGMPUXYKBW-YUELXQCFSA-N 2 0 308.401 0.816 20 10 DCCDRP CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000858323178 670993454 /nfs/dbraw/zinc/99/34/54/670993454.db2.gz QIVKTBOSXWEOQT-CQSZACIVSA-N 2 0 320.437 0.936 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000841846254 671959265 /nfs/dbraw/zinc/95/92/65/671959265.db2.gz NEVFHFBDRWWNDY-JKSUJKDBSA-N 2 0 320.437 0.637 20 10 DCCDRP CCN(OC)C(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000842769315 672035943 /nfs/dbraw/zinc/03/59/43/672035943.db2.gz MIPNDTTUMKJPOI-UHFFFAOYSA-N 2 0 320.437 0.938 20 10 DCCDRP COc1cc(CN2CCOC[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139254129 768463304 /nfs/dbraw/zinc/46/33/04/768463304.db2.gz FBMLXUATZSJFTO-CQSZACIVSA-N 2 0 310.394 0.656 20 10 DCCDRP COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255717 768464087 /nfs/dbraw/zinc/46/40/87/768464087.db2.gz RSRIMCAUVXVYTC-DZGCQCFKSA-N 2 0 324.421 0.638 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184767 769775406 /nfs/dbraw/zinc/77/54/06/769775406.db2.gz NMHVFWAIKGXKHW-ZBFHGGJFSA-N 3 0 316.449 0.843 20 10 DCCDRP CCN(Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CC[NH2+]C1 ZINC001235969289 769964793 /nfs/dbraw/zinc/96/47/93/769964793.db2.gz BCFKHFHMYRTLNN-INIZCTEOSA-N 2 0 304.438 0.986 20 10 DCCDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCC[NH2+]1 ZINC001236100017 769979533 /nfs/dbraw/zinc/97/95/33/769979533.db2.gz AAQKPUCVWJPISW-AWEZNQCLSA-N 2 0 304.438 0.986 20 10 DCCDRP Cc1cccc(O)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311166 769993030 /nfs/dbraw/zinc/99/30/30/769993030.db2.gz FZXAQRVRGIDAKK-UHFFFAOYSA-N 2 0 308.426 0.316 20 10 DCCDRP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@H]1CNCCO1 ZINC001205377399 772989911 /nfs/dbraw/zinc/98/99/11/772989911.db2.gz WQQTUCSTWQVBAQ-MRXNPFEDSA-N 2 0 320.437 0.222 20 10 DCCDRP CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001237160500 945122892 /nfs/dbraw/zinc/12/28/92/945122892.db2.gz PRYOKCDBULJDIO-IRXDYDNUSA-N 2 0 304.438 0.515 20 10 DCCDRP O[C@]1(CNCc2ccc(N3CC[NH2+]CC3)cc2)CCC[NH2+]C1 ZINC001245987810 945308013 /nfs/dbraw/zinc/30/80/13/945308013.db2.gz MELHALNMYRNVTL-QGZVFWFLSA-N 2 0 304.438 0.300 20 10 DCCDRP c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246105321 945337634 /nfs/dbraw/zinc/33/76/34/945337634.db2.gz APCJFGVKBPWGPJ-MRXNPFEDSA-N 2 0 316.449 0.707 20 10 DCCDRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001339845920 953123555 /nfs/dbraw/zinc/12/35/55/953123555.db2.gz SKROFUCGYROFLK-DFBGVHRSSA-N 2 0 308.426 0.085 20 10 DCCDRP COCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001514582412 1016980538 /nfs/dbraw/zinc/98/05/38/1016980538.db2.gz SVAKFSNJYBGDNP-JKSUJKDBSA-N 2 0 322.453 0.835 20 10 DCCDRP C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892064691 658152649 /nfs/dbraw/zinc/15/26/49/658152649.db2.gz YVOKMNYFYRGNNA-CYBMUJFWSA-N 2 0 305.426 0.585 20 10 DCCDRP CN(C)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000818941420 671079198 /nfs/dbraw/zinc/07/91/98/671079198.db2.gz JLCNHZRDXYBCDQ-QGZVFWFLSA-N 2 0 306.454 0.451 20 10 DCCDRP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846220975 672301391 /nfs/dbraw/zinc/30/13/91/672301391.db2.gz FHGYSVVNNIXLGV-QGZVFWFLSA-N 2 0 307.438 0.925 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)CNC(N)=O)cc2)CC1 ZINC001658104548 1173919492 /nfs/dbraw/zinc/91/94/92/1173919492.db2.gz WALPOBOTQHQJEX-UHFFFAOYSA-N 2 0 319.453 0.975 20 10 DCCDRP Oc1cc2c(cc1CN1CCO[C@@H]3C[NH2+]C[C@@H]3C1)C[NH2+]CCO2 ZINC001234974245 769729721 /nfs/dbraw/zinc/72/97/21/769729721.db2.gz KEKCSTQGDWRHNB-RHSMWYFYSA-N 2 0 319.405 0.294 20 10 DCCDRP CC1(C)C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235825224 769950131 /nfs/dbraw/zinc/95/01/31/769950131.db2.gz BMNSGACFAZNNRN-UHFFFAOYSA-N 2 0 304.438 0.986 20 10 DCCDRP CN(C)c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235868361 769951727 /nfs/dbraw/zinc/95/17/27/769951727.db2.gz CVIHLAGVGRQQHW-UHFFFAOYSA-N 2 0 305.470 0.337 20 10 DCCDRP OCC[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001236086057 769979568 /nfs/dbraw/zinc/97/95/68/769979568.db2.gz OMWMJCJMOGAUGM-INIZCTEOSA-N 2 0 304.438 0.252 20 10 DCCDRP CN(C)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236309889 769993120 /nfs/dbraw/zinc/99/31/20/769993120.db2.gz OZGZDFISCFEYHH-UHFFFAOYSA-N 2 0 321.469 0.368 20 10 DCCDRP [NH3+]C[C@]1(F)CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236435223 770011464 /nfs/dbraw/zinc/01/14/64/770011464.db2.gz TXQAUSVRDRFPBW-MRXNPFEDSA-N 2 0 308.401 0.675 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)[C@H](CO)C3)c(F)c2)CC1 ZINC001236935982 770023684 /nfs/dbraw/zinc/02/36/84/770023684.db2.gz MZHFXRPBJJJHQL-YOEHRIQHSA-N 2 0 323.412 0.363 20 10 DCCDRP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206277989 773061756 /nfs/dbraw/zinc/06/17/56/773061756.db2.gz XGBCCGSMZLSVNV-AWEZNQCLSA-N 3 0 304.438 0.843 20 10 DCCDRP COC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001210531108 773718288 /nfs/dbraw/zinc/71/82/88/773718288.db2.gz ORTJIIKNDWIEGN-INIZCTEOSA-N 2 0 320.437 0.222 20 10 DCCDRP CN(C)c1ccc([C@@H](CNC(=O)N(C)CC[NH3+])[NH+](C)C)cc1 ZINC001262601397 947738613 /nfs/dbraw/zinc/73/86/13/947738613.db2.gz CURNPNUZFICYMZ-OAHLLOKOSA-N 2 0 307.442 0.955 20 10 DCCDRP CN(C)c1ccc([C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[NH+](C)C)cc1 ZINC001263260228 947826899 /nfs/dbraw/zinc/82/68/99/947826899.db2.gz VEYPQAKHODGHOM-VVLHAWIVSA-N 2 0 316.449 0.937 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCNC(=O)CC3)cc2)CC1 ZINC000775677787 668866353 /nfs/dbraw/zinc/86/63/53/668866353.db2.gz PTYFJBUJZUHGFH-UHFFFAOYSA-N 2 0 302.422 0.760 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](NC(N)=O)C3)cc2)CC1 ZINC000775745553 668867319 /nfs/dbraw/zinc/86/73/19/668867319.db2.gz XPNKIAAYEMHFPQ-OAHLLOKOSA-N 2 0 317.437 0.681 20 10 DCCDRP CN(C)c1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1F ZINC000818984863 671083386 /nfs/dbraw/zinc/08/33/86/671083386.db2.gz IOJFEXSOWHARJP-HNNXBMFYSA-N 2 0 324.444 0.590 20 10 DCCDRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791145 671160438 /nfs/dbraw/zinc/16/04/38/671160438.db2.gz CYFSSVFTYIPLAN-GJZGRUSLSA-N 2 0 308.426 0.621 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000841846675 671959516 /nfs/dbraw/zinc/95/95/16/671959516.db2.gz RTASXAVSUAEHQM-DZGCQCFKSA-N 2 0 322.478 0.964 20 10 DCCDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843048175 672055757 /nfs/dbraw/zinc/05/57/57/672055757.db2.gz RVTBMYVEMQKLLU-LLVKDONJSA-N 2 0 321.377 0.408 20 10 DCCDRP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001119316297 766632999 /nfs/dbraw/zinc/63/29/99/766632999.db2.gz IKEANPVORCTXRR-CQSZACIVSA-N 2 0 304.438 0.910 20 10 DCCDRP C[NH2+]C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC1 ZINC001235790041 769947538 /nfs/dbraw/zinc/94/75/38/769947538.db2.gz ZFIDMLCXOFPNDB-UHFFFAOYSA-N 3 0 304.438 0.986 20 10 DCCDRP Oc1cccc(Cl)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868972 769951897 /nfs/dbraw/zinc/95/18/97/769951897.db2.gz DFSFFZXHJHZAEJ-UHFFFAOYSA-N 2 0 312.845 0.630 20 10 DCCDRP Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1N(C)C ZINC001235869785 769953249 /nfs/dbraw/zinc/95/32/49/769953249.db2.gz FAPCUWWJFSRLFG-UHFFFAOYSA-N 2 0 319.497 0.645 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235939172 769963249 /nfs/dbraw/zinc/96/32/49/769963249.db2.gz OBTZLDVMQZPQOY-HOCLYGCPSA-N 3 0 316.449 0.843 20 10 DCCDRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc(F)ccc1O ZINC001236310585 769993510 /nfs/dbraw/zinc/99/35/10/769993510.db2.gz HTXAFOSZARATRB-UHFFFAOYSA-N 2 0 312.389 0.147 20 10 DCCDRP C[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H](C)[NH2+]1 ZINC001236580039 770013825 /nfs/dbraw/zinc/01/38/25/770013825.db2.gz PYPYKIDKVSGXGR-ZIAGYGMSSA-N 2 0 304.438 0.984 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC2(C1)CCC[NH2+]C2 ZINC001222340282 775330073 /nfs/dbraw/zinc/33/00/73/775330073.db2.gz LKGVYGUAOKNIAC-UHFFFAOYSA-N 2 0 316.449 0.987 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC001262044446 947539868 /nfs/dbraw/zinc/53/98/68/947539868.db2.gz IDCWEVQMZSLYCC-INIZCTEOSA-N 2 0 318.421 0.043 20 10 DCCDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112513 951959953 /nfs/dbraw/zinc/95/99/53/951959953.db2.gz HUAXCHIKDOOCLM-OLZOCXBDSA-N 2 0 321.421 0.871 20 10 DCCDRP CO[C@H](C[NH3+])CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001341624451 953241438 /nfs/dbraw/zinc/24/14/38/953241438.db2.gz ZWAGGNPTQGYLHB-JKSUJKDBSA-N 2 0 322.453 0.835 20 10 DCCDRP CN1CCOC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000858276104 670987132 /nfs/dbraw/zinc/98/71/32/670987132.db2.gz JSILDGQZLASMLQ-SFHVURJKSA-N 2 0 318.465 0.859 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC[C@@H]3C[NH2+]CCCO3)cc2)CC1 ZINC000841087740 671912315 /nfs/dbraw/zinc/91/23/15/671912315.db2.gz VPNDCGMTGFDEGV-SFHVURJKSA-N 2 0 318.465 0.907 20 10 DCCDRP Oc1cc2c(cc1C[N@@H+]1CC[C@H](N3CC[NH2+]CC3)C1)OCO2 ZINC000843123355 672064829 /nfs/dbraw/zinc/06/48/29/672064829.db2.gz QINQHBUDKJHNRZ-ZDUSSCGKSA-N 2 0 305.378 0.600 20 10 DCCDRP COc1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1F ZINC000844221443 672165315 /nfs/dbraw/zinc/16/53/15/672165315.db2.gz MQWSJLSBVYXJQJ-UHFFFAOYSA-N 2 0 322.428 0.862 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000846663381 672334598 /nfs/dbraw/zinc/33/45/98/672334598.db2.gz GZUHAWQCCSJRQI-LSDHHAIUSA-N 2 0 307.442 0.148 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](CO)[C@@H](O)C3)cc2)CC1 ZINC001139409256 768472568 /nfs/dbraw/zinc/47/25/68/768472568.db2.gz XYRHJRHWCPBBHX-WMZOPIPTSA-N 2 0 319.449 0.614 20 10 DCCDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236082156 769980068 /nfs/dbraw/zinc/98/00/68/769980068.db2.gz XCOCBPDNSDALQI-UHFFFAOYSA-N 3 0 320.437 0.211 20 10 DCCDRP [NH3+][C@H](C(=O)N1CCCc2cc(O)c(O)cc2C1)C1CC[NH2+]CC1 ZINC001160924268 772138603 /nfs/dbraw/zinc/13/86/03/772138603.db2.gz GVSJUIPYQGQJME-INIZCTEOSA-N 2 0 319.405 0.700 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@@H]1CC[NH2+][C@H]2CCO[C@@H]21 ZINC001218163269 774214813 /nfs/dbraw/zinc/21/48/13/774214813.db2.gz OOOFGKKXXKGOKO-BBWFWOEESA-N 2 0 303.406 0.994 20 10 DCCDRP COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001222413900 775345253 /nfs/dbraw/zinc/34/52/53/775345253.db2.gz FPFQOXTUZXZTNB-INIZCTEOSA-N 2 0 318.421 0.043 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3[NH2+]C[C@@H]4C[C@@H]43)cc2)CC1 ZINC001333731023 952143119 /nfs/dbraw/zinc/14/31/19/952143119.db2.gz OINQXUWVPLLBRF-BHYGNILZSA-N 2 0 314.433 0.663 20 10 DCCDRP CN(C)c1ccc([C@H](CN[C@@H]2C[NH2+]CCOC2)[NH+](C)C)cc1 ZINC000902516378 663417761 /nfs/dbraw/zinc/41/77/61/663417761.db2.gz CWINBZMMQBIXKR-WBVHZDCISA-N 2 0 306.454 0.933 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000911667315 664096926 /nfs/dbraw/zinc/09/69/26/664096926.db2.gz PVPSBICBPCBVSP-FXUDXRNXSA-N 2 0 302.422 0.724 20 10 DCCDRP CN(C)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1F ZINC000818984867 671083307 /nfs/dbraw/zinc/08/33/07/671083307.db2.gz IOJFEXSOWHARJP-OAHLLOKOSA-N 2 0 324.444 0.590 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000852791533 671160680 /nfs/dbraw/zinc/16/06/80/671160680.db2.gz IVDOBFQSWCQBFD-ZNMIVQPWSA-N 2 0 306.410 0.232 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235080425 769758800 /nfs/dbraw/zinc/75/88/00/769758800.db2.gz ZJFXUFNIADCEOU-HZPDHXFCSA-N 2 0 302.422 0.738 20 10 DCCDRP Oc1cc2c(cc1CN1CC[C@@H]3OCC[NH2+][C@H]3C1)C[NH2+]CCO2 ZINC001235206238 769778865 /nfs/dbraw/zinc/77/88/65/769778865.db2.gz LFWGUKUNLNFVJM-HOCLYGCPSA-N 2 0 319.405 0.437 20 10 DCCDRP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@H]1CC[NH2+]C1 ZINC001235843143 769950793 /nfs/dbraw/zinc/95/07/93/769950793.db2.gz WISNPAVTDJYWJS-AWEZNQCLSA-N 3 0 304.438 0.843 20 10 DCCDRP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236309911 769993275 /nfs/dbraw/zinc/99/32/75/769993275.db2.gz PLTHBVRJKKRERH-UHFFFAOYSA-N 2 0 324.425 0.017 20 10 DCCDRP [NH3+][C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1O ZINC001205953311 773035686 /nfs/dbraw/zinc/03/56/86/773035686.db2.gz SYOVUJQBHBMWDY-HZPDHXFCSA-N 2 0 317.433 0.985 20 10 DCCDRP COc1cc(CN2CC[C@@H](O)[C@H]([NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206092536 773047163 /nfs/dbraw/zinc/04/71/63/773047163.db2.gz LHVBEVSONOZDEH-ZIAGYGMSSA-N 2 0 309.410 0.356 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1CC[NH2+][C@H]2CCO[C@@H]21 ZINC001218160406 774214801 /nfs/dbraw/zinc/21/48/01/774214801.db2.gz OOOFGKKXXKGOKO-ULQDDVLXSA-N 2 0 303.406 0.994 20 10 DCCDRP OC1(C[NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]CC1 ZINC001245981224 945306003 /nfs/dbraw/zinc/30/60/03/945306003.db2.gz BGYFBYKGZCNNRJ-UHFFFAOYSA-N 3 0 304.438 0.300 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC001330980118 950799627 /nfs/dbraw/zinc/79/96/27/950799627.db2.gz CHNNMIXVOKXXGV-SHTZXODSSA-N 2 0 302.422 0.792 20 10 DCCDRP COc1cc(CN2CC3(CN(CC[NH+](C)C)C3)C2)cc(O)c1O ZINC001275962885 952565397 /nfs/dbraw/zinc/56/53/97/952565397.db2.gz MLHFBDWVMPQYIM-UHFFFAOYSA-N 2 0 321.421 0.786 20 10 DCCDRP Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC001336285086 952671351 /nfs/dbraw/zinc/67/13/51/952671351.db2.gz HVFBLLXMMYKNAX-HNNXBMFYSA-N 2 0 302.422 0.913 20 10 DCCDRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892145149 658222062 /nfs/dbraw/zinc/22/20/62/658222062.db2.gz LDWNQWYKJCLEFO-KGLIPLIRSA-N 2 0 319.453 0.973 20 10 DCCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C[NH2+]C)cc2F)CC1 ZINC000178882565 661676691 /nfs/dbraw/zinc/67/66/91/661676691.db2.gz OGVULWPQVFDNQR-UHFFFAOYSA-N 2 0 308.401 0.803 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC(CO)(CO)C3)cc2)CC1 ZINC000827475095 671528989 /nfs/dbraw/zinc/52/89/89/671528989.db2.gz RKNHHUSZJCWEQC-UHFFFAOYSA-N 2 0 319.449 0.615 20 10 DCCDRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267108 671712868 /nfs/dbraw/zinc/71/28/68/671712868.db2.gz NFVQNWDLGQHCQZ-ZIAGYGMSSA-N 2 0 310.467 0.949 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CCCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841100176 671913146 /nfs/dbraw/zinc/91/31/46/671913146.db2.gz FHSQESFCQJZDCJ-SFHVURJKSA-N 2 0 318.465 0.988 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235939171 769963260 /nfs/dbraw/zinc/96/32/60/769963260.db2.gz OBTZLDVMQZPQOY-GOEBONIOSA-N 3 0 316.449 0.843 20 10 DCCDRP C[C@@H]1C[C@H]([NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046888 769972549 /nfs/dbraw/zinc/97/25/49/769972549.db2.gz JHYLMRCYYSBWHU-HIFRSBDPSA-N 2 0 304.438 0.971 20 10 DCCDRP Cc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236310593 769993422 /nfs/dbraw/zinc/99/34/22/769993422.db2.gz IGRZHHFYKJWAMS-UHFFFAOYSA-N 2 0 308.426 0.316 20 10 DCCDRP COCCN(Cc1cc2c(cc1O)OCC[NH2+]C2)[C@H]1CC[NH2+]C1 ZINC001236333971 769996335 /nfs/dbraw/zinc/99/63/35/769996335.db2.gz GDENIQJSBLUQBD-HNNXBMFYSA-N 2 0 321.421 0.685 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H]([NH3+])[C@H](O)C3)c(F)c2)CC1 ZINC001205973493 773037409 /nfs/dbraw/zinc/03/74/09/773037409.db2.gz VXAQFARJPUCTGO-IAGOWNOFSA-N 2 0 322.428 0.471 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3C[C@H](O)[C@@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206536122 773085926 /nfs/dbraw/zinc/08/59/26/773085926.db2.gz ZYMBCMGPTDVXLX-YOEHRIQHSA-N 2 0 322.428 0.329 20 10 DCCDRP [NH3+][C@H](CC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)c1ccccc1O ZINC001219736870 774594171 /nfs/dbraw/zinc/59/41/71/774594171.db2.gz KBWZAZVZLUPOEP-WCQYABFASA-N 2 0 305.378 0.277 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC001254315168 946346509 /nfs/dbraw/zinc/34/65/09/946346509.db2.gz DTCBXZDFFUIXAB-OAHLLOKOSA-N 2 0 323.462 0.715 20 10 DCCDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]21 ZINC001275419351 952133383 /nfs/dbraw/zinc/13/33/83/952133383.db2.gz WAFOITVSWCDTSQ-WBVHZDCISA-N 2 0 321.421 0.544 20 10 DCCDRP C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892045215 658134859 /nfs/dbraw/zinc/13/48/59/658134859.db2.gz RKDCLRKBNNEUQT-AWEZNQCLSA-N 2 0 319.453 0.832 20 10 DCCDRP Fc1cc(CN2CC[NH2+]CC[NH2+]CC2)ccc1N1CCOCC1 ZINC000904398951 663512251 /nfs/dbraw/zinc/51/22/51/663512251.db2.gz VPGHGLFSSJTOBC-UHFFFAOYSA-N 2 0 322.428 0.657 20 10 DCCDRP CCOC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905427921 663556781 /nfs/dbraw/zinc/55/67/81/663556781.db2.gz PLWINEVMSVTMMH-QGZVFWFLSA-N 2 0 307.438 0.925 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3O)cc2)CC1 ZINC000858300095 670990370 /nfs/dbraw/zinc/99/03/70/670990370.db2.gz FRABFDKSVSLUOS-IAGOWNOFSA-N 2 0 305.422 0.678 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000841845990 671959748 /nfs/dbraw/zinc/95/97/48/671959748.db2.gz INYYXHKREQEZDR-JKSUJKDBSA-N 2 0 320.437 0.637 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)CC1 ZINC001119374521 766655228 /nfs/dbraw/zinc/65/52/28/766655228.db2.gz BNGUSBWXYBFQMP-OIISXLGYSA-N 2 0 314.433 0.805 20 10 DCCDRP Cc1c(O)ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236310628 769993003 /nfs/dbraw/zinc/99/30/03/769993003.db2.gz KORVOMAAHUVUDX-UHFFFAOYSA-N 2 0 324.425 0.022 20 10 DCCDRP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@H]1CNCCO1 ZINC001205376810 772989766 /nfs/dbraw/zinc/98/97/66/772989766.db2.gz OPHIHUPZZILMCO-QGZVFWFLSA-N 2 0 304.438 0.516 20 10 DCCDRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC001206467933 773079273 /nfs/dbraw/zinc/07/92/73/773079273.db2.gz DROMPFNRAPHMLG-WMLDXEAASA-N 2 0 305.422 0.399 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCNC3=O)cc2)CC1 ZINC000771819451 668754375 /nfs/dbraw/zinc/75/43/75/668754375.db2.gz PNFGJGGPOMYTQE-INIZCTEOSA-N 2 0 302.422 0.807 20 10 DCCDRP COC[C@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771835126 668755573 /nfs/dbraw/zinc/75/55/73/668755573.db2.gz GVMSYYBBKFXYTC-QGZVFWFLSA-N 2 0 307.438 0.925 20 10 DCCDRP C[NH+](C)C[C@](C)(O)CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771858996 668757947 /nfs/dbraw/zinc/75/79/47/668757947.db2.gz KHFAWYUOFWKOQT-GOSISDBHSA-N 2 0 320.481 0.841 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](C(N)=O)C3)cc2)CC1 ZINC000775637251 668866169 /nfs/dbraw/zinc/86/61/69/668866169.db2.gz MMHUEMFIPGFKHK-HNNXBMFYSA-N 2 0 302.422 0.746 20 10 DCCDRP COC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000843296859 672080046 /nfs/dbraw/zinc/08/00/46/672080046.db2.gz HGTVUPNLZIDJJL-HNNXBMFYSA-N 2 0 320.437 0.637 20 10 DCCDRP C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001119483811 766693490 /nfs/dbraw/zinc/69/34/90/766693490.db2.gz XYHAACWGHFORIR-AWEZNQCLSA-N 2 0 319.453 0.927 20 10 DCCDRP [NH3+]CCN(CC[NH3+])Cc1ccc(N2CCOCC2)cc1Cl ZINC001235879263 769958696 /nfs/dbraw/zinc/95/86/96/769958696.db2.gz BCZLHHULYCHEOA-UHFFFAOYSA-N 2 0 312.845 0.896 20 10 DCCDRP COC(=O)[C@@]1(N)CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236276722 769987061 /nfs/dbraw/zinc/98/70/61/769987061.db2.gz MKCFRCRHBPWKMY-QGZVFWFLSA-N 2 0 318.421 0.172 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(N)=O)C3)c(F)c2)CC1 ZINC001236940115 770026223 /nfs/dbraw/zinc/02/62/23/770026223.db2.gz XZPYGEJOPOCHJB-CQSZACIVSA-N 2 0 320.412 0.885 20 10 DCCDRP CC[NH+]1CCN(c2ccc(CN3CC[C@@H]([NH3+])[C@H](O)C3)cc2)CC1 ZINC001205958251 773035596 /nfs/dbraw/zinc/03/55/96/773035596.db2.gz AGMJASLRSAOSEW-QZTJIDSGSA-N 2 0 318.465 0.722 20 10 DCCDRP Oc1cc2c(cc1CN1CCOC3(C[NH2+]C3)C1)C[NH2+]CCO2 ZINC001222447262 775352863 /nfs/dbraw/zinc/35/28/63/775352863.db2.gz OCTCSNXLMKFCJY-UHFFFAOYSA-N 2 0 305.378 0.048 20 10 DCCDRP COc1ccc(N2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246520980 945427590 /nfs/dbraw/zinc/42/75/90/945427590.db2.gz MTLDLFSFJDCGIG-MRXNPFEDSA-N 2 0 316.449 0.911 20 10 DCCDRP Nc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001337838947 952921161 /nfs/dbraw/zinc/92/11/61/952921161.db2.gz WCCMXLCVWLNTRJ-ZNMIVQPWSA-N 2 0 302.378 0.636 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC001349884413 954919383 /nfs/dbraw/zinc/91/93/83/954919383.db2.gz CHNNMIXVOKXXGV-GASCZTMLSA-N 2 0 302.422 0.792 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCOCCO)cc2)CC1 ZINC001461378785 1013020371 /nfs/dbraw/zinc/02/03/71/1013020371.db2.gz DVZOMEGYQHNVBA-UHFFFAOYSA-N 2 0 307.438 0.927 20 10 DCCDRP C[NH2+]CCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000891961974 657993825 /nfs/dbraw/zinc/99/38/25/657993825.db2.gz BSVFJYCEKPDJCC-UHFFFAOYSA-N 2 0 319.453 0.847 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@@]3(C)CO)cc2)CC1 ZINC000895329321 662169755 /nfs/dbraw/zinc/16/97/55/662169755.db2.gz IYXITQUJUIBMNI-MSOLQXFVSA-N 2 0 319.449 0.756 20 10 DCCDRP [NH3+]CC1(O)CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000923381839 667521337 /nfs/dbraw/zinc/52/13/37/667521337.db2.gz QAEOYTYIKUMNBZ-UHFFFAOYSA-N 2 0 305.422 0.809 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)cc2)CC1 ZINC000839165407 667734308 /nfs/dbraw/zinc/73/43/08/667734308.db2.gz JGBZIEQYJBYOQV-WBVHZDCISA-N 2 0 305.422 0.223 20 10 DCCDRP C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1C[NH2+]C1 ZINC000854220898 670536267 /nfs/dbraw/zinc/53/62/67/670536267.db2.gz BVJLNBSWWBLFNK-ZDUSSCGKSA-N 2 0 323.462 0.619 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(O)(CO)CC3)cc2)CC1 ZINC000827147652 671516605 /nfs/dbraw/zinc/51/66/05/671516605.db2.gz USCVHHBFSSOFDC-UHFFFAOYSA-N 2 0 319.449 0.758 20 10 DCCDRP COC[C@@]1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]C1 ZINC000841847130 671959528 /nfs/dbraw/zinc/95/95/28/671959528.db2.gz ZZVVNZYGGFTNFX-DOTOQJQBSA-N 2 0 320.437 0.495 20 10 DCCDRP C[NH+](C)CCCN1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514569 766964414 /nfs/dbraw/zinc/96/44/14/766964414.db2.gz KXUBCSBPRFEMEF-UHFFFAOYSA-N 2 0 309.410 0.873 20 10 DCCDRP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC001122328678 767771364 /nfs/dbraw/zinc/77/13/64/767771364.db2.gz RXXPKJMURKVBTI-CVEARBPZSA-N 2 0 320.437 0.460 20 10 DCCDRP COc1cc(CN2CCN(CC[NH+](C)C)CC2)c(O)cc1O ZINC001231635141 769270958 /nfs/dbraw/zinc/27/09/58/769270958.db2.gz WCQAYRVIYWSGNR-UHFFFAOYSA-N 2 0 309.410 0.786 20 10 DCCDRP CN1CCOc2cc(CN3CCNC[C@]34CC[NH2+]C4)ccc21 ZINC001234985760 769733268 /nfs/dbraw/zinc/73/32/68/769733268.db2.gz FNFYOLUJVGRJCU-QGZVFWFLSA-N 2 0 302.422 0.653 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235045987 769750553 /nfs/dbraw/zinc/75/05/53/769750553.db2.gz ZJFXUFNIADCEOU-JKSUJKDBSA-N 2 0 302.422 0.738 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@]2(CC[NH2+]2)C1 ZINC001235064171 769757280 /nfs/dbraw/zinc/75/72/80/769757280.db2.gz HCNMWTBRONOXGG-QGZVFWFLSA-N 2 0 302.422 0.740 20 10 DCCDRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235916345 769961693 /nfs/dbraw/zinc/96/16/93/769961693.db2.gz JFDDIIRJPUYJSJ-ZBFHGGJFSA-N 2 0 318.421 0.171 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](CO)[C@H](O)C3)c(F)c2)CC1 ZINC001236935980 770024736 /nfs/dbraw/zinc/02/47/36/770024736.db2.gz MZHFXRPBJJJHQL-RHSMWYFYSA-N 2 0 323.412 0.363 20 10 DCCDRP O=C(N1CCc2cccc(O)c2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160872009 772130404 /nfs/dbraw/zinc/13/04/04/772130404.db2.gz FRROOSMKPFZGIX-CXAGYDPISA-N 2 0 301.390 0.476 20 10 DCCDRP COc1ccc(O)c(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001203680162 772284470 /nfs/dbraw/zinc/28/44/70/772284470.db2.gz HSWLJGCZZXCAHC-UHFFFAOYSA-N 2 0 321.421 0.997 20 10 DCCDRP [NH3+][C@H]1C[C@@H](F)CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206437444 773076651 /nfs/dbraw/zinc/07/66/51/773076651.db2.gz VUMXQLPFIHMOEN-KGLIPLIRSA-N 2 0 308.401 0.673 20 10 DCCDRP COc1cc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206469057 773079708 /nfs/dbraw/zinc/07/97/08/773079708.db2.gz NPHYZOWPKKYFST-UONOGXRCSA-N 2 0 309.410 0.214 20 10 DCCDRP [NH3+][C@H](CC(=O)NC[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1O ZINC001219813383 774617521 /nfs/dbraw/zinc/61/75/21/774617521.db2.gz RMGUWPQWDFHCSG-GHJWDPDVSA-N 2 0 305.378 0.134 20 10 DCCDRP COc1cc(O)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(OC)c1 ZINC001222094827 775267663 /nfs/dbraw/zinc/26/76/63/775267663.db2.gz KXGKEMTUZVGMRT-UHFFFAOYSA-N 2 0 321.421 0.937 20 10 DCCDRP CN(C)c1ccc([C@H](CNC(=O)N2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC001357754614 957374663 /nfs/dbraw/zinc/37/46/63/957374663.db2.gz XBDDAIGAIUIXJN-INIZCTEOSA-N 2 0 319.453 0.970 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@]3(C)CO)cc2)CC1 ZINC000895329322 662169924 /nfs/dbraw/zinc/16/99/24/662169924.db2.gz IYXITQUJUIBMNI-QZTJIDSGSA-N 2 0 319.449 0.756 20 10 DCCDRP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846220971 672301689 /nfs/dbraw/zinc/30/16/89/672301689.db2.gz FHGYSVVNNIXLGV-KRWDZBQOSA-N 2 0 307.438 0.925 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCn3cncn3)cc2)CC1 ZINC001620783821 1165090725 /nfs/dbraw/zinc/09/07/25/1165090725.db2.gz CCNVUWUCHPLXLV-UHFFFAOYSA-N 2 0 300.410 0.820 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053082 769751347 /nfs/dbraw/zinc/75/13/47/769751347.db2.gz JBZKNSDOVBFQGP-GOSISDBHSA-N 2 0 315.465 0.234 20 10 DCCDRP Oc1cc2c(cc1CN1C[C@H]3C[NH2+]C[C@@H](C1)O3)C[NH2+]CCO2 ZINC001235339671 769816867 /nfs/dbraw/zinc/81/68/67/769816867.db2.gz XTRSUZQYHFFJBV-OKILXGFUSA-N 2 0 305.378 0.047 20 10 DCCDRP C[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H](C)[NH2+]1 ZINC001235902948 769960336 /nfs/dbraw/zinc/96/03/36/769960336.db2.gz PYPYKIDKVSGXGR-OKILXGFUSA-N 2 0 304.438 0.984 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@H]43)c(F)c2)CC1 ZINC001236292119 769987203 /nfs/dbraw/zinc/98/72/03/769987203.db2.gz MQMUEMVTSYYBTH-RHSMWYFYSA-N 2 0 304.413 0.981 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3C[C@@H](O)[C@@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206481723 773080745 /nfs/dbraw/zinc/08/07/45/773080745.db2.gz ZYMBCMGPTDVXLX-WMLDXEAASA-N 2 0 322.428 0.329 20 10 DCCDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220489940 774824033 /nfs/dbraw/zinc/82/40/33/774824033.db2.gz MTFLZFPXDRQEQQ-LBPRGKRZSA-N 2 0 323.393 0.456 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C)CCNC3=O)cc2)CC1 ZINC001333876289 952184329 /nfs/dbraw/zinc/18/43/29/952184329.db2.gz NUNUDRJPHBCSAH-QGZVFWFLSA-N 2 0 302.422 0.807 20 10 DCCDRP CN(C)c1ccc([C@H](CNC(=O)C[C@H](O)C[NH3+])[NH+](C)C)cc1 ZINC001342295097 953282585 /nfs/dbraw/zinc/28/25/85/953282585.db2.gz ZOKXJELTSFWJHS-GJZGRUSLSA-N 2 0 308.426 0.181 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3C[NH3+])cc2)CC1 ZINC001342376787 953286586 /nfs/dbraw/zinc/28/65/86/953286586.db2.gz MKKYPGXMQKOBTC-GDBMZVCRSA-N 2 0 302.422 0.649 20 10 DCCDRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892145157 658221967 /nfs/dbraw/zinc/22/19/67/658221967.db2.gz LDWNQWYKJCLEFO-ZIAGYGMSSA-N 2 0 319.453 0.973 20 10 DCCDRP COc1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000020270235 668152859 /nfs/dbraw/zinc/15/28/59/668152859.db2.gz PONMEFRAJXGESC-UHFFFAOYSA-N 2 0 304.438 0.722 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](CCO)CC3)cc2)CC1 ZINC000775634402 668866086 /nfs/dbraw/zinc/86/60/86/668866086.db2.gz SGHSSMMVVTYWTK-UHFFFAOYSA-N 2 0 318.465 0.548 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](C(N)=O)C3)cc2)CC1 ZINC000858246693 670984081 /nfs/dbraw/zinc/98/40/81/670984081.db2.gz BQDPXBJKOPYNCD-SHTZXODSSA-N 2 0 302.422 0.792 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000832267468 671712773 /nfs/dbraw/zinc/71/27/73/671712773.db2.gz STNUKUHOPGFFNB-GJZGRUSLSA-N 2 0 306.410 0.247 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053083 769752169 /nfs/dbraw/zinc/75/21/69/769752169.db2.gz JBZKNSDOVBFQGP-SFHVURJKSA-N 2 0 315.465 0.234 20 10 DCCDRP Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3C[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235340427 769820162 /nfs/dbraw/zinc/82/01/62/769820162.db2.gz IVXUNNRQSWBFME-LBPRGKRZSA-N 3 0 303.406 0.916 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH2+]C2(CC2)C1 ZINC001235935221 769963571 /nfs/dbraw/zinc/96/35/71/769963571.db2.gz GAUZJMCRJSZYGQ-UHFFFAOYSA-N 2 0 302.422 0.740 20 10 DCCDRP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206277999 773061282 /nfs/dbraw/zinc/06/12/82/773061282.db2.gz XGBCCGSMZLSVNV-CQSZACIVSA-N 3 0 304.438 0.843 20 10 DCCDRP [NH3+]C[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1O ZINC001206519424 773084207 /nfs/dbraw/zinc/08/42/07/773084207.db2.gz KZECWDIWNWPNAO-HOCLYGCPSA-N 2 0 317.433 0.842 20 10 DCCDRP COc1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)cc1O ZINC001222099708 775272556 /nfs/dbraw/zinc/27/25/56/775272556.db2.gz JSLLRAGRQCABIH-UHFFFAOYSA-N 2 0 307.394 0.634 20 10 DCCDRP COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CN1 ZINC001246174981 945354848 /nfs/dbraw/zinc/35/48/48/945354848.db2.gz QUVCKTAQFZWFDE-HOCLYGCPSA-N 2 0 318.421 0.089 20 10 DCCDRP C[C@H]([NH3+])CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892103373 658188538 /nfs/dbraw/zinc/18/85/38/658188538.db2.gz NDKWFBWJXDNWKH-ZDUSSCGKSA-N 2 0 305.426 0.585 20 10 DCCDRP COC[C@@](C)(CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000865672755 667337624 /nfs/dbraw/zinc/33/76/24/667337624.db2.gz WYAWKTOCHUEXKD-QGZVFWFLSA-N 2 0 307.438 0.925 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CNCCO3)cc2)CC1 ZINC000841099424 671912171 /nfs/dbraw/zinc/91/21/71/671912171.db2.gz PSFUTIUMKQZPAH-QGZVFWFLSA-N 2 0 304.438 0.516 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000841845988 671959679 /nfs/dbraw/zinc/95/96/79/671959679.db2.gz INYYXHKREQEZDR-HZPDHXFCSA-N 2 0 320.437 0.637 20 10 DCCDRP COc1cc(CN2CC[C@H](O)[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254305 768463070 /nfs/dbraw/zinc/46/30/70/768463070.db2.gz GDQSTRZZTZPEGP-GJZGRUSLSA-N 2 0 324.421 0.638 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235020198 769743273 /nfs/dbraw/zinc/74/32/73/769743273.db2.gz FHROYKPDNPDKJL-WMLDXEAASA-N 2 0 316.449 0.986 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235218885 769784713 /nfs/dbraw/zinc/78/47/13/769784713.db2.gz RFXNHCDLFJBCOO-CZUORRHYSA-N 2 0 302.422 0.596 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001235303694 769801786 /nfs/dbraw/zinc/80/17/86/769801786.db2.gz YASNLUZOKOFQKN-CVEARBPZSA-N 2 0 302.422 0.738 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342102 769822055 /nfs/dbraw/zinc/82/20/55/769822055.db2.gz SRBZUHHYKUIKNX-CQSZACIVSA-N 3 0 316.449 0.843 20 10 DCCDRP Cc1cc(C)c(C[NH+]2CCNCC[NH2+]CCNCC2)c(O)c1 ZINC001235869742 769953504 /nfs/dbraw/zinc/95/35/04/769953504.db2.gz FZVGPVRJVBCPLR-UHFFFAOYSA-N 2 0 306.454 0.593 20 10 DCCDRP Oc1cc2c(cc1CN1CC[C@H]3COC[C@@H](C1)[NH2+]3)C[NH2+]CCO2 ZINC001235985549 769965032 /nfs/dbraw/zinc/96/50/32/769965032.db2.gz LJHYPUMIMAASSD-LSDHHAIUSA-N 2 0 319.405 0.437 20 10 DCCDRP COc1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236307943 769991234 /nfs/dbraw/zinc/99/12/34/769991234.db2.gz FNSAFZRITANJCW-UHFFFAOYSA-N 2 0 324.425 0.017 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206469833 773079843 /nfs/dbraw/zinc/07/98/43/773079843.db2.gz UJQWASBVADZKOG-DOTOQJQBSA-N 3 0 304.438 0.190 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001218094474 774212439 /nfs/dbraw/zinc/21/24/39/774212439.db2.gz ONHJTAFMVROJKP-MRXNPFEDSA-N 2 0 303.406 0.996 20 10 DCCDRP [NH3+][C@H]1CN(Cc2cc3c(cc2O)OCC[NH2+]C3)CC12COC2 ZINC001237174881 945121452 /nfs/dbraw/zinc/12/14/52/945121452.db2.gz FSQGFJPVUSUFDH-HNNXBMFYSA-N 2 0 305.378 0.034 20 10 DCCDRP COC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CN1 ZINC001246174982 945354323 /nfs/dbraw/zinc/35/43/23/945354323.db2.gz QUVCKTAQFZWFDE-ZBFHGGJFSA-N 2 0 318.421 0.089 20 10 DCCDRP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H](C1)O2 ZINC001275267861 952035707 /nfs/dbraw/zinc/03/57/07/952035707.db2.gz ZFZIJCKKRKSUCL-IYBDPMFKSA-N 2 0 305.422 0.839 20 10 DCCDRP CN(C)c1ccc([C@H](CN[C@H]2C[NH2+]CCOC2)[NH+](C)C)cc1 ZINC000902516377 663417644 /nfs/dbraw/zinc/41/76/44/663417644.db2.gz CWINBZMMQBIXKR-RDJZCZTQSA-N 2 0 306.454 0.933 20 10 DCCDRP CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000839192080 667735331 /nfs/dbraw/zinc/73/53/31/667735331.db2.gz IEXJCGGVRROFPQ-DLBZAZTESA-N 2 0 305.422 0.942 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000832282455 671713248 /nfs/dbraw/zinc/71/32/48/671713248.db2.gz ZNSXQTBPHQQHRS-MRXNPFEDSA-N 2 0 320.437 0.637 20 10 DCCDRP Oc1cc2c(cc1CN1CCNC[C@@]13CC[NH2+]C3)C[NH2+]CCO2 ZINC001234987357 769734760 /nfs/dbraw/zinc/73/47/60/769734760.db2.gz FXNXIEHTBBDZPH-KRWDZBQOSA-N 2 0 318.421 0.012 20 10 DCCDRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001235676502 769929898 /nfs/dbraw/zinc/92/98/98/769929898.db2.gz RPQGLQICXLFSLT-AWEZNQCLSA-N 3 0 304.438 0.973 20 10 DCCDRP [NH3+][C@@]12CC[C@H]1CN(Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991395 769964603 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671713230 /nfs/dbraw/zinc/71/32/30/671713230.db2.gz XUWWAHPEXSAOAZ-UKRRQHHQSA-N 2 0 306.410 0.247 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000841846664 671959393 /nfs/dbraw/zinc/95/93/93/671959393.db2.gz RMZGKOQFRIPTOR-UXLLHSPISA-N 2 0 302.422 0.868 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000841846251 671959531 /nfs/dbraw/zinc/95/95/31/671959531.db2.gz NEVFHFBDRWWNDY-CVEARBPZSA-N 2 0 320.437 0.637 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000841845984 671959590 /nfs/dbraw/zinc/95/95/90/671959590.db2.gz INYYXHKREQEZDR-CVEARBPZSA-N 2 0 320.437 0.637 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000846664370 672334463 /nfs/dbraw/zinc/33/44/63/672334463.db2.gz ZDSYOUOPARMHJP-QRTARXTBSA-N 2 0 318.421 0.105 20 10 DCCDRP COc1ccc(O)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236309503 769991302 /nfs/dbraw/zinc/99/13/02/769991302.db2.gz LZCXDGMDJALMKJ-UHFFFAOYSA-N 2 0 324.425 0.017 20 10 DCCDRP [NH3+]C[C@@]1(F)CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236435204 770011248 /nfs/dbraw/zinc/01/12/48/770011248.db2.gz TXQAUSVRDRFPBW-INIZCTEOSA-N 2 0 308.401 0.675 20 10 DCCDRP COC[C@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001210530418 773717857 /nfs/dbraw/zinc/71/78/57/773717857.db2.gz KLWQPXDNHJDROF-QGZVFWFLSA-N 2 0 304.438 0.516 20 10 DCCDRP COc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1O ZINC000316075089 774918271 /nfs/dbraw/zinc/91/82/71/774918271.db2.gz IAUDEIBYPWLHQZ-ZDUSSCGKSA-N 2 0 307.394 0.688 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)[C@@H]3CCOC3)cc2)CC1 ZINC001461392332 1013022364 /nfs/dbraw/zinc/02/23/64/1013022364.db2.gz LMCNMDCGGMAZEQ-AEFFLSMTSA-N 2 0 319.449 0.925 20 10 DCCDRP C[C@@H](CC[NH3+])NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892052870 658141243 /nfs/dbraw/zinc/14/12/43/658141243.db2.gz FXWXXQDHKFNASG-AWEZNQCLSA-N 2 0 319.453 0.975 20 10 DCCDRP CO[C@@](C)(CO)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000848559866 670697167 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DCCDRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236197445 769982209 /nfs/dbraw/zinc/98/22/09/769982209.db2.gz JFDDIIRJPUYJSJ-HOCLYGCPSA-N 2 0 318.421 0.171 20 10 DCCDRP COC(=O)[C@]1(N)CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236276721 769987943 /nfs/dbraw/zinc/98/79/43/769987943.db2.gz MKCFRCRHBPWKMY-KRWDZBQOSA-N 2 0 318.421 0.172 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1OC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218083812 774211983 /nfs/dbraw/zinc/21/19/83/774211983.db2.gz QZGHROYNUFKFBC-KBRIMQKVSA-N 2 0 303.406 0.709 20 10 DCCDRP O[C@@]1(CNCc2ccc(N3CC[NH2+]CC3)cc2)CCC[NH2+]C1 ZINC001245987807 945306634 /nfs/dbraw/zinc/30/66/34/945306634.db2.gz MELHALNMYRNVTL-KRWDZBQOSA-N 2 0 304.438 0.300 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC001262098609 947561415 /nfs/dbraw/zinc/56/14/15/947561415.db2.gz LSPLIIQFFHHXOM-OAHLLOKOSA-N 2 0 317.437 0.681 20 10 DCCDRP COCC[NH2+]CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001341513376 953234662 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COCC[NH2+]CCNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841047714 671910302 /nfs/dbraw/zinc/91/03/02/671910302.db2.gz HJPPVAGCDRNBSV-UHFFFAOYSA-N 2 0 306.454 0.764 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CCCO[C@H](C[NH3+])C3)cc2)CC1 ZINC000841100175 671912881 /nfs/dbraw/zinc/91/28/81/671912881.db2.gz FHSQESFCQJZDCJ-GOSISDBHSA-N 2 0 318.465 0.988 20 10 DCCDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(N)cc1 ZINC000841954539 671968889 /nfs/dbraw/zinc/96/88/89/671968889.db2.gz NIFUJMHFOJISFJ-UHFFFAOYSA-N 2 0 321.469 0.946 20 10 DCCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)[C@@H](CO)C3)cc2)CC1 ZINC001140302407 768524445 /nfs/dbraw/zinc/52/44/45/768524445.db2.gz RFDWDRXIXALLPO-AEFFLSMTSA-N 2 0 319.449 0.614 20 10 DCCDRP CC[C@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235774575 769947407 /nfs/dbraw/zinc/94/74/07/769947407.db2.gz RVIOWFNUSHWENP-HNNXBMFYSA-N 2 0 304.438 0.986 20 10 DCCDRP CCOC(=O)CN(CC[NH3+])Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235830936 769950879 /nfs/dbraw/zinc/95/08/79/769950879.db2.gz USCVTVQHJBHTGW-UHFFFAOYSA-N 2 0 323.393 0.198 20 10 DCCDRP CCOc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(O)c1 ZINC001235874401 769957744 /nfs/dbraw/zinc/95/77/44/769957744.db2.gz PKLWASFWLFSUIS-UHFFFAOYSA-N 2 0 322.453 0.375 20 10 DCCDRP COc1cc(O)c(CN(CC[NH3+])CC[NH3+])c(Br)c1 ZINC001235880769 769958544 /nfs/dbraw/zinc/95/85/44/769958544.db2.gz OWCVNVFADJLUAO-UHFFFAOYSA-N 2 0 318.215 0.883 20 10 DCCDRP Cc1cc(C)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236312291 769994743 /nfs/dbraw/zinc/99/47/43/769994743.db2.gz PLENBKKYWPHVAJ-UHFFFAOYSA-N 2 0 322.453 0.625 20 10 DCCDRP CN(Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@H]1C[NH2+]CCO1 ZINC001205539367 772999439 /nfs/dbraw/zinc/99/94/39/772999439.db2.gz XOBDZRGMWUIFPD-CQSZACIVSA-N 2 0 307.394 0.294 20 10 DCCDRP [NH3+][C@@H]1C[C@H](F)CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206437445 773076353 /nfs/dbraw/zinc/07/63/53/773076353.db2.gz VUMXQLPFIHMOEN-UONOGXRCSA-N 2 0 308.401 0.673 20 10 DCCDRP Oc1cc2c(cc1CN1CC3(C1)C[NH2+]CCO3)C[NH2+]CCO2 ZINC001222441258 775351404 /nfs/dbraw/zinc/35/14/04/775351404.db2.gz HUXCYKHLWIXSFO-UHFFFAOYSA-N 2 0 305.378 0.048 20 10 DCCDRP CN1CCN(c2ccc(C[NH2+]C[C@@H]3COCCN3)cc2F)CC1 ZINC001261835307 947455479 /nfs/dbraw/zinc/45/54/79/947455479.db2.gz QIZYRECCYPBQBT-OAHLLOKOSA-N 2 0 322.428 0.656 20 10 DCCDRP CN(C)c1ccc([C@@H](CNC(=O)N2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC001357754616 957374257 /nfs/dbraw/zinc/37/42/57/957374257.db2.gz XBDDAIGAIUIXJN-MRXNPFEDSA-N 2 0 319.453 0.970 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235939174 769962820 /nfs/dbraw/zinc/96/28/20/769962820.db2.gz OBTZLDVMQZPQOY-ZBFHGGJFSA-N 3 0 316.449 0.843 20 10 DCCDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236065936 769976733 /nfs/dbraw/zinc/97/67/33/769976733.db2.gz CVHSTHJAXNXGPU-AWEZNQCLSA-N 3 0 304.438 0.843 20 10 DCCDRP COC[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001210051750 773671255 /nfs/dbraw/zinc/67/12/55/773671255.db2.gz SQDSFBGTDVKZMX-OAHLLOKOSA-N 2 0 320.437 0.222 20 10 DCCDRP CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001237172126 945122164 /nfs/dbraw/zinc/12/21/64/945122164.db2.gz BMLCCEXTIMOGGD-RDJZCZTQSA-N 2 0 320.437 0.220 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246174437 945355056 /nfs/dbraw/zinc/35/50/56/945355056.db2.gz QCDYSTMGRVRVCN-MRXNPFEDSA-N 3 0 316.449 0.707 20 10 DCCDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cc(O)c(O)cc3O)[C@@H]2C1 ZINC001276517029 944196405 /nfs/dbraw/zinc/19/64/05/944196405.db2.gz ZTOSXLPUBWQORV-GXTWGEPZSA-N 2 0 321.421 0.871 20 10 DCCDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001275952954 952557289 /nfs/dbraw/zinc/55/72/89/952557289.db2.gz QAKNJEHFGQJEHK-RDJZCZTQSA-N 2 0 321.421 0.544 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000911667322 664097250 /nfs/dbraw/zinc/09/72/50/664097250.db2.gz PVPSBICBPCBVSP-UGUYLWEFSA-N 2 0 302.422 0.724 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1 ZINC000876507186 668458185 /nfs/dbraw/zinc/45/81/85/668458185.db2.gz XLUWWDHDEOJINW-AVGNSLFASA-N 2 0 312.364 0.709 20 10 DCCDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000818997276 671084003 /nfs/dbraw/zinc/08/40/03/671084003.db2.gz WXFZOKHJXNNVHN-INIZCTEOSA-N 2 0 305.422 0.319 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000832282066 671713183 /nfs/dbraw/zinc/71/31/83/671713183.db2.gz XUWWAHPEXSAOAZ-ZFWWWQNUSA-N 2 0 306.410 0.247 20 10 DCCDRP Nc1ccc(C[NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC001235299060 769798590 /nfs/dbraw/zinc/79/85/90/769798590.db2.gz SCOSSAHCTHJBOM-UHFFFAOYSA-N 2 0 302.422 0.913 20 10 DCCDRP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001235843145 769950592 /nfs/dbraw/zinc/95/05/92/769950592.db2.gz WISNPAVTDJYWJS-CQSZACIVSA-N 3 0 304.438 0.843 20 10 DCCDRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001157334908 771589791 /nfs/dbraw/zinc/58/97/91/771589791.db2.gz AQUJZFUTKHTSTD-OLZOCXBDSA-N 2 0 322.409 0.142 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@@H]1CCO[C@@]12CC[NH2+]C2 ZINC001218137067 774214132 /nfs/dbraw/zinc/21/41/32/774214132.db2.gz KZILJTYHRDSRME-IAGOWNOFSA-N 2 0 303.406 0.996 20 10 DCCDRP [NH3+][C@H](CC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)c1ccccc1O ZINC001219736869 774594287 /nfs/dbraw/zinc/59/42/87/774594287.db2.gz KBWZAZVZLUPOEP-DGCLKSJQSA-N 2 0 305.378 0.277 20 10 DCCDRP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000315902389 774904235 /nfs/dbraw/zinc/90/42/35/774904235.db2.gz MOTWMMOYNWEDFP-GFCCVEGCSA-N 2 0 307.394 0.688 20 10 DCCDRP Cc1cc(C)c(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(O)c1 ZINC001220825539 774925489 /nfs/dbraw/zinc/92/54/89/774925489.db2.gz LJNPLMPGVYZDLV-CXAGYDPISA-N 2 0 303.406 0.824 20 10 DCCDRP CN(C)c1ccc([C@H](CNC(=O)COCC[NH3+])[NH+](C)C)cc1 ZINC001343165922 953326305 /nfs/dbraw/zinc/32/63/05/953326305.db2.gz MHOWUJUPTKCJMX-HNNXBMFYSA-N 2 0 308.426 0.447 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)O)cc2)CC1 ZINC001344559505 953497433 /nfs/dbraw/zinc/49/74/33/953497433.db2.gz SEALCZHOYPOPLT-OAHLLOKOSA-N 2 0 320.437 0.153 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@]2(O)CCC[NH2+]C2)cc1 ZINC000911667766 664097206 /nfs/dbraw/zinc/09/72/06/664097206.db2.gz SGHQRVCCECWEOV-DOTOQJQBSA-N 2 0 320.437 0.373 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000841846676 671959632 /nfs/dbraw/zinc/95/96/32/671959632.db2.gz RTASXAVSUAEHQM-HIFRSBDPSA-N 2 0 322.478 0.964 20 10 DCCDRP COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843048170 672056120 /nfs/dbraw/zinc/05/61/20/672056120.db2.gz ROFLGIOUEJHJNX-GFCCVEGCSA-N 2 0 307.394 0.688 20 10 DCCDRP CN1CCOc2cc(CN3CCNC[C@@]34CC[NH2+]C4)ccc21 ZINC001234985759 769732661 /nfs/dbraw/zinc/73/26/61/769732661.db2.gz FNFYOLUJVGRJCU-KRWDZBQOSA-N 2 0 302.422 0.653 20 10 DCCDRP Oc1cc2c(cc1CN1CCO[C@@H]3CC[NH2+]C[C@@H]31)C[NH2+]CCO2 ZINC001235006100 769742051 /nfs/dbraw/zinc/74/20/51/769742051.db2.gz DQTZJRAYGSNVPO-GOEBONIOSA-N 2 0 319.405 0.437 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCOCC12C[NH2+]C2 ZINC001235013715 769743851 /nfs/dbraw/zinc/74/38/51/769743851.db2.gz BFPBAYVKRSJIOG-UHFFFAOYSA-N 2 0 302.422 0.270 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342100 769821169 /nfs/dbraw/zinc/82/11/69/769821169.db2.gz SRBZUHHYKUIKNX-AWEZNQCLSA-N 3 0 316.449 0.843 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@H]2COC[C@@H](C1)N2 ZINC001235986629 769964709 /nfs/dbraw/zinc/96/47/09/769964709.db2.gz QIRNMHZRPWNZMV-DLBZAZTESA-N 2 0 316.449 0.659 20 10 DCCDRP COCCN(Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236335340 769995889 /nfs/dbraw/zinc/99/58/89/769995889.db2.gz TZJUWAXXCKOGRE-GOSISDBHSA-N 2 0 318.465 0.907 20 10 DCCDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@@H]12 ZINC001236830590 770019971 /nfs/dbraw/zinc/01/99/71/770019971.db2.gz OAWURJFENDJKQN-KBRIMQKVSA-N 3 0 316.449 0.971 20 10 DCCDRP [NH3+][C@H](CC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)c1ccccc1O ZINC001161009507 772148517 /nfs/dbraw/zinc/14/85/17/772148517.db2.gz WIAHGUGTFDDWDN-HIFRSBDPSA-N 2 0 319.405 0.498 20 10 DCCDRP [NH3+][C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1F ZINC001205896146 773031796 /nfs/dbraw/zinc/03/17/96/773031796.db2.gz XLOOIWODJUNYKH-HUUCEWRRSA-N 2 0 308.401 0.673 20 10 DCCDRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193626189 773091115 /nfs/dbraw/zinc/09/11/15/773091115.db2.gz RWYJXMUGCRWJBI-UHFFFAOYSA-N 2 0 300.746 0.826 20 10 DCCDRP [NH3+][C@H](CC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1ccccc1O ZINC001219765795 774601026 /nfs/dbraw/zinc/60/10/26/774601026.db2.gz BVIDYWYRMBHRAB-VNHYZAJKSA-N 2 0 318.421 0.192 20 10 DCCDRP CN(C)c1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222099351 775269693 /nfs/dbraw/zinc/26/96/93/775269693.db2.gz BOUUYMAXKGBFRS-UHFFFAOYSA-N 2 0 304.438 0.986 20 10 DCCDRP COC(=O)[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001252437560 945927615 /nfs/dbraw/zinc/92/76/15/945927615.db2.gz UEWQUZHFIUSIIJ-HNNXBMFYSA-N 2 0 307.394 0.062 20 10 DCCDRP C[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001331405054 951107806 /nfs/dbraw/zinc/10/78/06/951107806.db2.gz LMWQNSLMRBZTHF-AWEZNQCLSA-N 2 0 319.453 0.975 20 10 DCCDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001275267787 952038864 /nfs/dbraw/zinc/03/88/64/952038864.db2.gz WVUGSCLTVPTNBO-WBVHZDCISA-N 2 0 305.422 0.839 20 10 DCCDRP COc1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)c(O)cc1O ZINC001276093156 952912079 /nfs/dbraw/zinc/91/20/79/952912079.db2.gz UDJYEOSWYOYSOA-UHFFFAOYSA-N 2 0 321.421 0.786 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000852791532 671160839 /nfs/dbraw/zinc/16/08/39/671160839.db2.gz IVDOBFQSWCQBFD-RRFJBIMHSA-N 2 0 306.410 0.232 20 10 DCCDRP COC[C@]1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]C1 ZINC000841847133 671959495 /nfs/dbraw/zinc/95/94/95/671959495.db2.gz ZZVVNZYGGFTNFX-WBVHZDCISA-N 2 0 320.437 0.495 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](CO)[C@@H](O)C3)cc2)CC1 ZINC001139409253 768472362 /nfs/dbraw/zinc/47/23/62/768472362.db2.gz XYRHJRHWCPBBHX-AEFFLSMTSA-N 2 0 319.449 0.614 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235240732 769787514 /nfs/dbraw/zinc/78/75/14/769787514.db2.gz NVNOVYDGUUWEHG-ROUUACIJSA-N 2 0 316.449 0.659 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235264664 769793356 /nfs/dbraw/zinc/79/33/56/769793356.db2.gz ADEVEWFKSLHKDT-WMLDXEAASA-N 3 0 316.449 0.986 20 10 DCCDRP Oc1cc(Cl)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870505 769955098 /nfs/dbraw/zinc/95/50/98/769955098.db2.gz OATBFDLQGXRTRM-UHFFFAOYSA-N 2 0 312.845 0.630 20 10 DCCDRP Oc1cc2c(cc1C[N@@H+]1C[C@H]3CC[NH2+]C[C@H]3C1)C[NH2+]CCO2 ZINC001235935697 769963594 /nfs/dbraw/zinc/96/35/94/769963594.db2.gz DZAGFALLEFTYHD-DOMZBBRYSA-N 3 0 303.406 0.916 20 10 DCCDRP [NH3+][C@]12CC[C@@H]1CN(Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991391 769965060 /nfs/dbraw/zinc/96/50/60/769965060.db2.gz OEMRHYJZKYRBBH-PBHICJAKSA-N 2 0 302.422 0.725 20 10 DCCDRP COC(=O)[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1[NH3+] ZINC001236349492 770002887 /nfs/dbraw/zinc/00/28/87/770002887.db2.gz PCCLRMMLFPWVGO-HZPDHXFCSA-N 2 0 318.421 0.028 20 10 DCCDRP CC[NH+]1CCN(c2ccc(CN3C[C@@H]([NH3+])[C@H](O)C3)cc2)CC1 ZINC001205352864 772988186 /nfs/dbraw/zinc/98/81/86/772988186.db2.gz QGNWWOJWCFVZEV-IAGOWNOFSA-N 2 0 304.438 0.332 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3C[C@@H]([NH3+])[C@H](O)C3)c(F)c2)CC1 ZINC001205369547 772989352 /nfs/dbraw/zinc/98/93/52/772989352.db2.gz AQDMZXCNXBWNLW-HZPDHXFCSA-N 2 0 308.401 0.081 20 10 DCCDRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(O)c(O)c1Cl ZINC001193236880 773030230 /nfs/dbraw/zinc/03/02/30/773030230.db2.gz SHRJQXJWEGTXQP-UHFFFAOYSA-N 2 0 300.746 0.826 20 10 DCCDRP C[C@H]1C[NH2+]CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001206263174 773059748 /nfs/dbraw/zinc/05/97/48/773059748.db2.gz PTJJVBAFYQHBEZ-AWEZNQCLSA-N 3 0 304.438 0.986 20 10 DCCDRP CN1CCN(c2ccc(C[NH2+]C[C@H]3COCCN3)cc2F)CC1 ZINC001261835306 947455574 /nfs/dbraw/zinc/45/55/74/947455574.db2.gz QIZYRECCYPBQBT-HNNXBMFYSA-N 2 0 322.428 0.656 20 10 DCCDRP CN(C)c1ccc([C@@H](CNC(=O)C[C@H](O)C[NH3+])[NH+](C)C)cc1 ZINC001342295100 953282340 /nfs/dbraw/zinc/28/23/40/953282340.db2.gz ZOKXJELTSFWJHS-LSDHHAIUSA-N 2 0 308.426 0.181 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000911667768 664097204 /nfs/dbraw/zinc/09/72/04/664097204.db2.gz SGHQRVCCECWEOV-RDJZCZTQSA-N 2 0 320.437 0.373 20 10 DCCDRP CCN(CCO)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000768947126 668627918 /nfs/dbraw/zinc/62/79/18/668627918.db2.gz ZANMVEVOPPNNRJ-UHFFFAOYSA-N 2 0 320.481 0.842 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000852791530 671160587 /nfs/dbraw/zinc/16/05/87/671160587.db2.gz IVDOBFQSWCQBFD-KFWWJZLASA-N 2 0 306.410 0.232 20 10 DCCDRP COC[C@H](O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001657731258 1173916156 /nfs/dbraw/zinc/91/61/56/1173916156.db2.gz URZRWOGPSNSWMR-QGZVFWFLSA-N 2 0 307.438 0.925 20 10 DCCDRP COc1cc(CN2CC[C@@H](O)[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254307 768463026 /nfs/dbraw/zinc/46/30/26/768463026.db2.gz GDQSTRZZTZPEGP-LSDHHAIUSA-N 2 0 324.421 0.638 20 10 DCCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)[C@H](CO)C3)cc2)CC1 ZINC001140302434 768524602 /nfs/dbraw/zinc/52/46/02/768524602.db2.gz RFDWDRXIXALLPO-WMZOPIPTSA-N 2 0 319.449 0.614 20 10 DCCDRP COc1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)c(O)cc1O ZINC001231637646 769271014 /nfs/dbraw/zinc/27/10/14/769271014.db2.gz PJZSSANVAGWMHM-UHFFFAOYSA-N 2 0 309.410 0.786 20 10 DCCDRP CC[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[NH2+]1 ZINC001235730585 769938602 /nfs/dbraw/zinc/93/86/02/769938602.db2.gz ODEXXKPISGBRMR-HNNXBMFYSA-N 2 0 304.438 0.986 20 10 DCCDRP CCc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236312193 769994896 /nfs/dbraw/zinc/99/48/96/769994896.db2.gz PPHOGCSTQFEVGV-UHFFFAOYSA-N 2 0 322.453 0.570 20 10 DCCDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@H]12 ZINC001236830717 770020280 /nfs/dbraw/zinc/02/02/80/770020280.db2.gz OAWURJFENDJKQN-RRQGHBQHSA-N 3 0 316.449 0.971 20 10 DCCDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205231149 772984462 /nfs/dbraw/zinc/98/44/62/772984462.db2.gz XABSQDDJIBFWJF-GOSISDBHSA-N 3 0 318.465 0.772 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1CCOC2(C[NH2+]C2)C1 ZINC001218094473 774211955 /nfs/dbraw/zinc/21/19/55/774211955.db2.gz ONHJTAFMVROJKP-INIZCTEOSA-N 2 0 303.406 0.996 20 10 DCCDRP COCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001514582409 1016980367 /nfs/dbraw/zinc/98/03/67/1016980367.db2.gz SVAKFSNJYBGDNP-CVEARBPZSA-N 2 0 322.453 0.835 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)[C@H]3CCOC3)cc2)CC1 ZINC001461392344 1013019580 /nfs/dbraw/zinc/01/95/80/1013019580.db2.gz LMCNMDCGGMAZEQ-WMZOPIPTSA-N 2 0 319.449 0.925 20 10 DCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[NH3+])CC2)cc1 ZINC000269306677 396406263 /nfs/dbraw/zinc/40/62/63/396406263.db2.gz UJWYRNKIIPLSDU-UHFFFAOYSA-N 2 0 306.410 0.282 20 10 DCCDRP CN(C)c1ccc([C@@H](N)C[NH2+]C2CCN(CC[NH3+])CC2)cc1 ZINC000904354446 663509828 /nfs/dbraw/zinc/50/98/28/663509828.db2.gz YQDWCAYMOYJSGY-KRWDZBQOSA-N 2 0 305.470 0.765 20 10 DCCDRP CCOC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905427919 663556827 /nfs/dbraw/zinc/55/68/27/663556827.db2.gz PLWINEVMSVTMMH-KRWDZBQOSA-N 2 0 307.438 0.925 20 10 DCCDRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000876505755 668457468 /nfs/dbraw/zinc/45/74/68/668457468.db2.gz AYJAPADDZGAODE-ZOBUZTSGSA-N 2 0 320.437 0.636 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876506751 668458004 /nfs/dbraw/zinc/45/80/04/668458004.db2.gz OEOMTGMPUXYKBW-BPLDGKMQSA-N 2 0 308.401 0.816 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](NC(N)=O)C3)cc2)CC1 ZINC000775745552 668867329 /nfs/dbraw/zinc/86/73/29/668867329.db2.gz XPNKIAAYEMHFPQ-HNNXBMFYSA-N 2 0 317.437 0.681 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000832267469 671712690 /nfs/dbraw/zinc/71/26/90/671712690.db2.gz STNUKUHOPGFFNB-HUUCEWRRSA-N 2 0 306.410 0.247 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000832282061 671713307 /nfs/dbraw/zinc/71/33/07/671713307.db2.gz XUWWAHPEXSAOAZ-DZGCQCFKSA-N 2 0 306.410 0.247 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000846663380 672334589 /nfs/dbraw/zinc/33/45/89/672334589.db2.gz GZUHAWQCCSJRQI-HUUCEWRRSA-N 2 0 307.442 0.148 20 10 DCCDRP [NH3+]CC1(O)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001580247830 1165547930 /nfs/dbraw/zinc/54/79/30/1165547930.db2.gz PQGONHZBENKECO-UHFFFAOYSA-N 2 0 319.449 0.933 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCCCC[NH3+])cc2)CC1 ZINC001119477511 766692232 /nfs/dbraw/zinc/69/22/32/766692232.db2.gz XYTYXIYEYNRMQN-UHFFFAOYSA-N 2 0 319.453 0.977 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235262330 769794029 /nfs/dbraw/zinc/79/40/29/769794029.db2.gz QLCMRTYDBUPKIJ-ZBFHGGJFSA-N 2 0 302.422 0.596 20 10 DCCDRP CC[NH+]1CCN(c2ccc(CN(CC[NH3+])CC[NH3+])cc2)CC1 ZINC001235877620 769958752 /nfs/dbraw/zinc/95/87/52/769958752.db2.gz OPPKVBNKMNBQPU-UHFFFAOYSA-N 3 0 305.470 0.548 20 10 DCCDRP C[NH+](C)CCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161449299 772225080 /nfs/dbraw/zinc/22/50/80/772225080.db2.gz LGUCAUHBTLTLKG-MRXNPFEDSA-N 2 0 304.438 0.954 20 10 DCCDRP [NH3+]CC[C@H]1CN(Cc2cc3c(cc2O)OCC[NH2+]C3)CCO1 ZINC001204756883 772960882 /nfs/dbraw/zinc/96/08/82/772960882.db2.gz SEYRQQUTIMVQMN-AWEZNQCLSA-N 2 0 307.394 0.424 20 10 DCCDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001205248382 772984788 /nfs/dbraw/zinc/98/47/88/772984788.db2.gz OTXHPWDTRVPGDU-KRWDZBQOSA-N 3 0 321.421 0.550 20 10 DCCDRP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205255863 772985559 /nfs/dbraw/zinc/98/55/59/772985559.db2.gz MGHTZUOPORXBOP-KRWDZBQOSA-N 2 0 322.405 0.783 20 10 DCCDRP Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(O)c1 ZINC001220825629 774926478 /nfs/dbraw/zinc/92/64/78/774926478.db2.gz OVIHQDBILPINST-HNNXBMFYSA-N 2 0 320.437 0.376 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC001330960558 950794394 /nfs/dbraw/zinc/79/43/94/950794394.db2.gz IDCWEVQMZSLYCC-MRXNPFEDSA-N 2 0 318.421 0.043 20 10 DCCDRP C[C@H](CC[NH3+])NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892052871 658141459 /nfs/dbraw/zinc/14/14/59/658141459.db2.gz FXWXXQDHKFNASG-CQSZACIVSA-N 2 0 319.453 0.975 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C3(O)CCC3)cc2)CC1 ZINC000905426765 663556849 /nfs/dbraw/zinc/55/68/49/663556849.db2.gz JQXJWVYEITWSSB-QGZVFWFLSA-N 2 0 319.449 0.804 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)cc2)CC1 ZINC000839165404 667734242 /nfs/dbraw/zinc/73/42/42/667734242.db2.gz JGBZIEQYJBYOQV-DOTOQJQBSA-N 2 0 305.422 0.223 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](CO)[C@H](CO)C3)cc2)CC1 ZINC000877765080 668646870 /nfs/dbraw/zinc/64/68/70/668646870.db2.gz SXGDVQVQIYLZSE-CALCHBBNSA-N 2 0 319.449 0.471 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@]3(O)CCOC3)cc2)CC1 ZINC000771856480 668757098 /nfs/dbraw/zinc/75/70/98/668757098.db2.gz AOWGLCNPGJLVBW-KRWDZBQOSA-N 2 0 305.422 0.679 20 10 DCCDRP COc1cc(O)c(C[NH2+]CCCN2CC[NH2+]CC2)cc1OC ZINC000841030041 671909399 /nfs/dbraw/zinc/90/93/99/671909399.db2.gz QQUDVVHZFHHSEF-UHFFFAOYSA-N 2 0 309.410 0.794 20 10 DCCDRP CCOc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(O)c1 ZINC000843047573 672056032 /nfs/dbraw/zinc/05/60/32/672056032.db2.gz XPGIFNDMUSYNDA-UHFFFAOYSA-N 2 0 307.394 0.655 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000846664369 672334399 /nfs/dbraw/zinc/33/43/99/672334399.db2.gz ZDSYOUOPARMHJP-LXZKKBNFSA-N 2 0 318.421 0.105 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001235392085 769829407 /nfs/dbraw/zinc/82/94/07/769829407.db2.gz JUHPFKFNGJOWTP-GASCZTMLSA-N 2 0 302.422 0.738 20 10 DCCDRP [NH3+][C@@]12CC[C@@H]1CN(Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991393 769964544 /nfs/dbraw/zinc/96/45/44/769964544.db2.gz OEMRHYJZKYRBBH-RHSMWYFYSA-N 2 0 302.422 0.725 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]43)c(F)c2)CC1 ZINC001236292111 769987445 /nfs/dbraw/zinc/98/74/45/769987445.db2.gz MQMUEMVTSYYBTH-PBHICJAKSA-N 2 0 304.413 0.981 20 10 DCCDRP Cc1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236312767 769996289 /nfs/dbraw/zinc/99/62/89/769996289.db2.gz ZQLDCFHTCZYFRR-UHFFFAOYSA-N 2 0 308.426 0.316 20 10 DCCDRP [NH3+][C@H](CC(=O)N1CCOC2(CC[NH2+]CC2)C1)c1ccccc1O ZINC001158077343 771722451 /nfs/dbraw/zinc/72/24/51/771722451.db2.gz TYPBGCUKEFRAMZ-CQSZACIVSA-N 2 0 319.405 0.763 20 10 DCCDRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490161 774825744 /nfs/dbraw/zinc/82/57/44/774825744.db2.gz VYQVBSLUIWBOBL-NSHDSACASA-N 2 0 309.366 0.243 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC001262044499 947539002 /nfs/dbraw/zinc/53/90/02/947539002.db2.gz KNUBIRVESZFGEE-INIZCTEOSA-N 2 0 302.422 0.807 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC001337069562 952806578 /nfs/dbraw/zinc/80/65/78/952806578.db2.gz XCRRRSWPHZNESV-UHFFFAOYSA-N 2 0 302.422 0.807 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]23CC[C@H]2C[NH2+]C3)cc1 ZINC000911667286 664096923 /nfs/dbraw/zinc/09/69/23/664096923.db2.gz PPAWMMAISZEVAD-QRTARXTBSA-N 2 0 302.422 0.868 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CCNC3=O)cc2)CC1 ZINC000886323686 667756132 /nfs/dbraw/zinc/75/61/32/667756132.db2.gz FPVJIWVSUWKHTB-UHFFFAOYSA-N 2 0 317.437 0.553 20 10 DCCDRP CN1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000771819936 668754206 /nfs/dbraw/zinc/75/42/06/668754206.db2.gz YSOIMBISSBTIOA-HNNXBMFYSA-N 2 0 302.422 0.759 20 10 DCCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])cc2F)CC1 ZINC000828884132 671563320 /nfs/dbraw/zinc/56/33/20/671563320.db2.gz YOCDGBCYCGXOOF-HIFRSBDPSA-N 2 0 320.412 0.931 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCOC2C[NH2+]C2)cc1 ZINC000832273312 671712926 /nfs/dbraw/zinc/71/29/26/671712926.db2.gz NGSJEVRRTGTNFR-OAHLLOKOSA-N 2 0 306.410 0.247 20 10 DCCDRP C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000843056898 672056876 /nfs/dbraw/zinc/05/68/76/672056876.db2.gz BPGCSGHCEIJYGW-CRAIPNDOSA-N 2 0 318.465 0.986 20 10 DCCDRP COc1ccc(C[NH2+]CCNC(=O)COCC[NH+](C)C)cc1C ZINC001147892527 767864740 /nfs/dbraw/zinc/86/47/40/767864740.db2.gz JHDNLSKNBBEOBE-UHFFFAOYSA-N 2 0 323.437 0.788 20 10 DCCDRP COc1cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139256344 768464492 /nfs/dbraw/zinc/46/44/92/768464492.db2.gz ZHTQDESFIUSXHM-KBPBESRZSA-N 2 0 310.394 0.247 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCN2CC[NH2+]C[C@@H]2C1 ZINC001234977591 769730768 /nfs/dbraw/zinc/73/07/68/769730768.db2.gz GCOKGQBIZJZASF-GOSISDBHSA-N 2 0 315.465 0.186 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235034013 769747426 /nfs/dbraw/zinc/74/74/26/769747426.db2.gz RWJPPGCODRDUST-GOSISDBHSA-N 3 0 316.449 0.987 20 10 DCCDRP Oc1cc2c(cc1CN1CCN[C@@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235061464 769755683 /nfs/dbraw/zinc/75/56/83/769755683.db2.gz LSFSAVQQOGLJBK-QGZVFWFLSA-N 2 0 318.421 0.012 20 10 DCCDRP Cc1ccc(C)c(C[NH+]2CCNCC[NH2+]CCNCC2)c1O ZINC001235872064 769957642 /nfs/dbraw/zinc/95/76/42/769957642.db2.gz ZDYSDEOKKKHMQZ-UHFFFAOYSA-N 2 0 306.454 0.593 20 10 DCCDRP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235959623 769963166 /nfs/dbraw/zinc/96/31/66/769963166.db2.gz LQJUBSXBAMCZBP-JLVBRIDZSA-N 3 0 316.449 0.971 20 10 DCCDRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924057 772137878 /nfs/dbraw/zinc/13/78/78/772137878.db2.gz AQQFAYLJZWHBIT-ZDUSSCGKSA-N 2 0 307.394 0.829 20 10 DCCDRP CN(C)c1ccc([C@@H](CNc2nc(N)[nH+]c(N)n2)[NH+](C)C)cc1 ZINC001164317745 772645271 /nfs/dbraw/zinc/64/52/71/772645271.db2.gz GZYKDCCPNHESJY-GFCCVEGCSA-N 2 0 316.413 0.817 20 10 DCCDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1C[NH3+] ZINC001205145691 772980321 /nfs/dbraw/zinc/98/03/21/772980321.db2.gz ASGRWACERBFNFT-DZGCQCFKSA-N 3 0 304.438 0.828 20 10 DCCDRP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@@H]1CNCCO1 ZINC001205376809 772990084 /nfs/dbraw/zinc/99/00/84/772990084.db2.gz OPHIHUPZZILMCO-KRWDZBQOSA-N 2 0 304.438 0.516 20 10 DCCDRP [NH3+][C@H](CC(=O)NCc1noc2c1C[NH2+]CC2)c1ccccc1O ZINC001219810974 774616415 /nfs/dbraw/zinc/61/64/15/774616415.db2.gz IABTXNBLYJZBQK-GFCCVEGCSA-N 2 0 316.361 0.732 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246172196 945355043 /nfs/dbraw/zinc/35/50/43/945355043.db2.gz GKYRBQYAEHEDNQ-MRXNPFEDSA-N 3 0 315.465 0.280 20 10 DCCDRP CN(CCC[NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892939802 659524449 /nfs/dbraw/zinc/52/44/49/659524449.db2.gz PCKDMSUFGARHEE-UHFFFAOYSA-N 2 0 319.453 0.929 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(O)(C[NH3+])CC3)cc2)CC1 ZINC000841108143 661609965 /nfs/dbraw/zinc/60/99/65/661609965.db2.gz OPDPXYFGYQICSJ-UHFFFAOYSA-N 3 0 318.465 0.724 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870933612 667775073 /nfs/dbraw/zinc/77/50/73/667775073.db2.gz RDQGAUAEUMETSR-CXUGXGMPSA-N 2 0 302.422 0.996 20 10 DCCDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000872255205 667882617 /nfs/dbraw/zinc/88/26/17/667882617.db2.gz RDBMCDGBLOJURQ-NFAWXSAZSA-N 2 0 303.362 0.759 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C[NH3+])CCCOC2)cc1 ZINC000876506192 668458001 /nfs/dbraw/zinc/45/80/01/668458001.db2.gz GZRNLZDVHYHZFD-RDJZCZTQSA-N 2 0 320.437 0.624 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000841846662 671959690 /nfs/dbraw/zinc/95/96/90/671959690.db2.gz RMZGKOQFRIPTOR-INMHGKMJSA-N 2 0 302.422 0.868 20 10 DCCDRP COc1c(C2C[NH2+]C2)ncnc1N(CC[NH3+])c1cccnc1 ZINC001168834688 760473853 /nfs/dbraw/zinc/47/38/53/760473853.db2.gz QAPCSVXPXZAAAY-UHFFFAOYSA-N 2 0 300.366 0.664 20 10 DCCDRP COc1cc(CN2CC[C@@H](O)[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254306 768463603 /nfs/dbraw/zinc/46/36/03/768463603.db2.gz GDQSTRZZTZPEGP-HUUCEWRRSA-N 2 0 324.421 0.638 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCO[C@H]2C[NH2+]C[C@H]21 ZINC001235215469 769782995 /nfs/dbraw/zinc/78/29/95/769782995.db2.gz MSXIFJRSKJODAH-SJORKVTESA-N 2 0 302.422 0.269 20 10 DCCDRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236065937 769978543 /nfs/dbraw/zinc/97/85/43/769978543.db2.gz CVHSTHJAXNXGPU-CQSZACIVSA-N 3 0 304.438 0.843 20 10 DCCDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205231151 772984175 /nfs/dbraw/zinc/98/41/75/772984175.db2.gz XABSQDDJIBFWJF-SFHVURJKSA-N 3 0 318.465 0.772 20 10 DCCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206525380 773084185 /nfs/dbraw/zinc/08/41/85/773084185.db2.gz OTPQKCCNGZJORU-WMZOPIPTSA-N 3 0 318.465 0.580 20 10 DCCDRP COCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001262044475 947540339 /nfs/dbraw/zinc/54/03/39/947540339.db2.gz JJQMLKHSGCXHNS-MRXNPFEDSA-N 2 0 320.437 0.418 20 10 DCCDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001275952955 952557276 /nfs/dbraw/zinc/55/72/76/952557276.db2.gz QAKNJEHFGQJEHK-WBVHZDCISA-N 2 0 321.421 0.544 20 10 DCCDRP CN(C)c1ccc([C@@H](CN[C@@H]2C[NH2+]CCOC2)[NH+](C)C)cc1 ZINC000902516376 663417561 /nfs/dbraw/zinc/41/75/61/663417561.db2.gz CWINBZMMQBIXKR-NVXWUHKLSA-N 2 0 306.454 0.933 20 10 DCCDRP CON(C)C(=O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905428466 663556775 /nfs/dbraw/zinc/55/67/75/663556775.db2.gz UELUMSMONSHECP-UHFFFAOYSA-N 2 0 320.437 0.938 20 10 DCCDRP CC[NH+]1CCN(c2ccc(CNC(=O)NCC[NH3+])cc2F)CC1 ZINC000841793141 671956111 /nfs/dbraw/zinc/95/61/11/671956111.db2.gz OHFHUAVDSXTAKA-UHFFFAOYSA-N 2 0 323.416 0.726 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000841846677 671959243 /nfs/dbraw/zinc/95/92/43/671959243.db2.gz RTASXAVSUAEHQM-UKRRQHHQSA-N 2 0 322.478 0.964 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](C(N)=O)C3)cc2)CC1 ZINC000846046008 672290957 /nfs/dbraw/zinc/29/09/57/672290957.db2.gz BQDPXBJKOPYNCD-GASCZTMLSA-N 2 0 302.422 0.792 20 10 DCCDRP CCOC(=O)CN(CC[NH3+])c1ccc(CN2CC[NH2+]CC2)cc1 ZINC001170994356 766372115 /nfs/dbraw/zinc/37/21/15/766372115.db2.gz POJMBRNPGKJWTK-UHFFFAOYSA-N 2 0 320.437 0.420 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001235303695 769803138 /nfs/dbraw/zinc/80/31/38/769803138.db2.gz YASNLUZOKOFQKN-HOTGVXAUSA-N 2 0 302.422 0.738 20 10 DCCDRP [NH3+]CCN(CC[NH3+])Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001235877213 769958595 /nfs/dbraw/zinc/95/85/95/769958595.db2.gz MTIXGTIHEJSBOL-UHFFFAOYSA-N 2 0 304.438 0.810 20 10 DCCDRP [NH3+]CCN(CC[NH3+])Cc1cc(O)c(Br)cc1O ZINC001235879618 769958728 /nfs/dbraw/zinc/95/87/28/769958728.db2.gz DNKWQUMWNKMMBA-UHFFFAOYSA-N 2 0 304.188 0.580 20 10 DCCDRP [NH3+][C@]12CC[C@H]1CN(Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991397 769964379 /nfs/dbraw/zinc/96/43/79/769964379.db2.gz OEMRHYJZKYRBBH-YOEHRIQHSA-N 2 0 302.422 0.725 20 10 DCCDRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001339845919 953123797 /nfs/dbraw/zinc/12/37/97/953123797.db2.gz SKROFUCGYROFLK-CQDKDKBSSA-N 2 0 308.426 0.085 20 10 DCCDRP C[NH2+]CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000891993831 658082917 /nfs/dbraw/zinc/08/29/17/658082917.db2.gz MLTZOGQIEQVJJP-UHFFFAOYSA-N 2 0 305.426 0.457 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3COCCO3)cc2)CC1 ZINC000771824939 668755072 /nfs/dbraw/zinc/75/50/72/668755072.db2.gz SYMFQMDBMICTMS-KRWDZBQOSA-N 2 0 305.422 0.943 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CC[C@@H](O)C3)cc2)CC1 ZINC000858297638 670989834 /nfs/dbraw/zinc/98/98/34/670989834.db2.gz HZPDKEOUABPBEP-GOSISDBHSA-N 2 0 318.465 0.595 20 10 DCCDRP CO[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1O ZINC000825016758 671446995 /nfs/dbraw/zinc/44/69/95/671446995.db2.gz HQMDUVTVIAELKM-IAGOWNOFSA-N 2 0 305.422 0.630 20 10 DCCDRP COc1ccc(N2CCC[N@H+](C[C@@]3(O)CC[NH2+]C3)CC2)cc1 ZINC001579226027 1165244109 /nfs/dbraw/zinc/24/41/09/1165244109.db2.gz YTDVEWRBLPBNDK-QGZVFWFLSA-N 2 0 305.422 0.932 20 10 DCCDRP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCO1 ZINC001204757181 748927034 /nfs/dbraw/zinc/92/70/34/748927034.db2.gz WAYJZZCCKRBUAW-INIZCTEOSA-N 3 0 320.437 0.351 20 10 DCCDRP COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255737 768464591 /nfs/dbraw/zinc/46/45/91/768464591.db2.gz RSRIMCAUVXVYTC-ZFWWWQNUSA-N 2 0 324.421 0.638 20 10 DCCDRP Oc1cc2c(cc1CN1CC[C@@H]3C[NH2+]C[C@H]3C1)C[NH2+]CCO2 ZINC001235185455 769775648 /nfs/dbraw/zinc/77/56/48/769775648.db2.gz VHIDCRDBILNHQD-DOMZBBRYSA-N 2 0 303.406 0.916 20 10 DCCDRP CN(C)c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(O)c1 ZINC001235871464 769956213 /nfs/dbraw/zinc/95/62/13/769956213.db2.gz UPCOPDSUWJPHMO-UHFFFAOYSA-N 2 0 321.469 0.043 20 10 DCCDRP COC(=O)[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1[NH3+] ZINC001236349488 770002556 /nfs/dbraw/zinc/00/25/56/770002556.db2.gz PCCLRMMLFPWVGO-CVEARBPZSA-N 2 0 318.421 0.028 20 10 DCCDRP [NH3+]CC[C@@H]1CN(Cc2cc3c(cc2O)OCC[NH2+]C3)CCO1 ZINC001204756884 772960593 /nfs/dbraw/zinc/96/05/93/772960593.db2.gz SEYRQQUTIMVQMN-CQSZACIVSA-N 2 0 307.394 0.424 20 10 DCCDRP COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205736025 773015225 /nfs/dbraw/zinc/01/52/25/773015225.db2.gz TXTDOOIGIMJZIH-QGZVFWFLSA-N 2 0 322.405 0.783 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC2(C1)C[NH2+]CCO2 ZINC001222441871 775350352 /nfs/dbraw/zinc/35/03/52/775350352.db2.gz VDNXBWFVXIFAEG-UHFFFAOYSA-N 2 0 302.422 0.270 20 10 DCCDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001275419350 952133229 /nfs/dbraw/zinc/13/32/29/952133229.db2.gz WAFOITVSWCDTSQ-RDJZCZTQSA-N 2 0 321.421 0.544 20 10 DCCDRP Nc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC001336285087 952671835 /nfs/dbraw/zinc/67/18/35/952671835.db2.gz HVFBLLXMMYKNAX-OAHLLOKOSA-N 2 0 302.422 0.913 20 10 DCCDRP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[NH+](C)C)cc1 ZINC001341512712 953234528 /nfs/dbraw/zinc/23/45/28/953234528.db2.gz LPGOGVUNDGBCLX-HRCADAONSA-N 2 0 320.437 0.588 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925764478 660817463 /nfs/dbraw/zinc/81/74/63/660817463.db2.gz ZNQJJAXGTBHFDX-INIZCTEOSA-N 2 0 304.438 0.516 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000892034168 658125421 /nfs/dbraw/zinc/12/54/21/658125421.db2.gz LFLGGBUXJMPELK-UHFFFAOYSA-N 2 0 319.453 0.975 20 10 DCCDRP C[N@H+](CCOCC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000863652608 667166785 /nfs/dbraw/zinc/16/67/85/667166785.db2.gz SOWIJSDZDNWAME-UHFFFAOYSA-N 3 0 306.454 0.846 20 10 DCCDRP CC[NH+]1CCN(c2ccc(C[NH2+]CCC(N)=O)cc2F)CC1 ZINC000819032658 671087098 /nfs/dbraw/zinc/08/70/98/671087098.db2.gz JEYIPKYMWQXMSZ-UHFFFAOYSA-N 2 0 308.401 0.933 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000852791531 671160662 /nfs/dbraw/zinc/16/06/62/671160662.db2.gz IVDOBFQSWCQBFD-RBSFLKMASA-N 2 0 306.410 0.232 20 10 DCCDRP COC[C@]1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]C1 ZINC000841847132 671959473 /nfs/dbraw/zinc/95/94/73/671959473.db2.gz ZZVVNZYGGFTNFX-RDJZCZTQSA-N 2 0 320.437 0.495 20 10 DCCDRP CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000842752131 672034261 /nfs/dbraw/zinc/03/42/61/672034261.db2.gz IEXJCGGVRROFPQ-IAGOWNOFSA-N 2 0 305.422 0.942 20 10 DCCDRP COCC[C@@H]([NH3+])CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001579002355 1165185372 /nfs/dbraw/zinc/18/53/72/1165185372.db2.gz AMXYNEUBUGMNOK-MRXNPFEDSA-N 2 0 306.454 0.892 20 10 DCCDRP COC(=O)N1CC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001656121108 1173842516 /nfs/dbraw/zinc/84/25/16/1173842516.db2.gz FTRBVAUEYHVCTB-UHFFFAOYSA-N 2 0 318.421 0.979 20 10 DCCDRP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCO1 ZINC001204757185 748927226 /nfs/dbraw/zinc/92/72/26/748927226.db2.gz WAYJZZCCKRBUAW-MRXNPFEDSA-N 3 0 320.437 0.351 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001235339257 769817646 /nfs/dbraw/zinc/81/76/46/769817646.db2.gz SUWQQRUOMULTEC-CALCHBBNSA-N 2 0 302.422 0.269 20 10 DCCDRP [NH3+]C1CC2(C1)C[NH+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235820765 769950386 /nfs/dbraw/zinc/95/03/86/769950386.db2.gz VFLIBFTWNHXUJO-UHFFFAOYSA-N 3 0 302.422 0.725 20 10 DCCDRP C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236102094 769979741 /nfs/dbraw/zinc/97/97/41/769979741.db2.gz HEIPOALZPKGOIS-ZIAGYGMSSA-N 2 0 304.438 0.984 20 10 DCCDRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1c(O)cccc1F ZINC001236309971 769993265 /nfs/dbraw/zinc/99/32/65/769993265.db2.gz TZGXWCZLCBHMDR-UHFFFAOYSA-N 2 0 312.389 0.147 20 10 DCCDRP COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CN1 ZINC001246174980 945354413 /nfs/dbraw/zinc/35/44/13/945354413.db2.gz QUVCKTAQFZWFDE-GOEBONIOSA-N 2 0 318.421 0.089 20 10 DCCDRP COCC[NH2+]CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001341513377 953234543 /nfs/dbraw/zinc/23/45/43/953234543.db2.gz QHMQWHIZICDNEL-MRXNPFEDSA-N 2 0 322.453 0.708 20 10 DCCDRP COc1cc(O)c(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1OC ZINC000271801672 395871374 /nfs/dbraw/zinc/87/13/74/395871374.db2.gz IZZYHUJKEAXOMD-UHFFFAOYSA-N 2 0 310.394 0.956 20 10 DCCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)[NH3+])cc2F)CC1 ZINC000236895637 521697111 /nfs/dbraw/zinc/69/71/11/521697111.db2.gz KGCYTMRHSQJVFU-GFCCVEGCSA-N 2 0 308.401 0.931 20 10 DCCDRP CN(C)c1ccc([C@@H](CN[C@H]2C[NH2+]CCOC2)[NH+](C)C)cc1 ZINC000902516375 663417766 /nfs/dbraw/zinc/41/77/66/663417766.db2.gz CWINBZMMQBIXKR-DOTOQJQBSA-N 2 0 306.454 0.933 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CCC[C@@]([NH3+])(CO)C3)cc2)CC1 ZINC000904401394 663512421 /nfs/dbraw/zinc/51/24/21/663512421.db2.gz HQIAXLBFDXHMRF-SFHVURJKSA-N 2 0 318.465 0.724 20 10 DCCDRP COC[C@](C)(CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000865672754 667337674 /nfs/dbraw/zinc/33/76/74/667337674.db2.gz WYAWKTOCHUEXKD-KRWDZBQOSA-N 2 0 307.438 0.925 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000886254136 667747049 /nfs/dbraw/zinc/74/70/49/667747049.db2.gz YRLDDPLLTOLJDJ-ACHSLPGTSA-N 2 0 305.422 0.412 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000832272279 671712697 /nfs/dbraw/zinc/71/26/97/671712697.db2.gz DPYBZPZWDYIXMZ-NWDGAFQWSA-N 2 0 300.353 0.851 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000841845986 671959572 /nfs/dbraw/zinc/95/95/72/671959572.db2.gz INYYXHKREQEZDR-HOTGVXAUSA-N 2 0 320.437 0.637 20 10 DCCDRP COC[C@@H](O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001657731225 1173916141 /nfs/dbraw/zinc/91/61/41/1173916141.db2.gz URZRWOGPSNSWMR-KRWDZBQOSA-N 2 0 307.438 0.925 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235264662 769793882 /nfs/dbraw/zinc/79/38/82/769793882.db2.gz ADEVEWFKSLHKDT-PBHICJAKSA-N 3 0 316.449 0.986 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060960 769977790 /nfs/dbraw/zinc/97/77/90/769977790.db2.gz VSRNKJKUJVFIFP-HOCLYGCPSA-N 2 0 316.449 0.986 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1CCO[C@]12CC[NH2+]C2 ZINC001218137068 774213861 /nfs/dbraw/zinc/21/38/61/774213861.db2.gz KZILJTYHRDSRME-IRXDYDNUSA-N 2 0 303.406 0.996 20 10 DCCDRP CNC(=O)C1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839141961 667734012 /nfs/dbraw/zinc/73/40/12/667734012.db2.gz BUAFRZFWUHRIPT-UHFFFAOYSA-N 2 0 302.422 0.616 20 10 DCCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+]3)cc2F)CC1 ZINC000828882924 671563010 /nfs/dbraw/zinc/56/30/10/671563010.db2.gz GEEAXZOQZXCZSO-OAHLLOKOSA-N 2 0 320.412 0.946 20 10 DCCDRP COc1ccc(N2CCN(CCNC(=O)NCC[NH3+])CC2)cc1 ZINC000841749927 671952548 /nfs/dbraw/zinc/95/25/48/671952548.db2.gz JZXUCGCWJUKJFP-UHFFFAOYSA-N 2 0 321.425 0.075 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000841846666 671959756 /nfs/dbraw/zinc/95/97/56/671959756.db2.gz RMZGKOQFRIPTOR-ZMSDIMECSA-N 2 0 302.422 0.868 20 10 DCCDRP C[NH2+]CCOCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001578709495 1165089370 /nfs/dbraw/zinc/08/93/70/1165089370.db2.gz HPCKGMYDZDDBSH-UHFFFAOYSA-N 2 0 307.438 0.973 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234985913 769733637 /nfs/dbraw/zinc/73/36/37/769733637.db2.gz HFYQLEJRMHPLKZ-SFHVURJKSA-N 3 0 315.465 0.234 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCCC12C[NH2+]C2 ZINC001235091117 769758767 /nfs/dbraw/zinc/75/87/67/769758767.db2.gz ZEMSKJKPZXRONG-UHFFFAOYSA-N 2 0 302.422 0.740 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236374 769787285 /nfs/dbraw/zinc/78/72/85/769787285.db2.gz ZJFXUFNIADCEOU-CVEARBPZSA-N 2 0 302.422 0.738 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001235303697 769803028 /nfs/dbraw/zinc/80/30/28/769803028.db2.gz YASNLUZOKOFQKN-JKSUJKDBSA-N 2 0 302.422 0.738 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CNC(=O)C3)cc2)CC1 ZINC001178954875 770912494 /nfs/dbraw/zinc/91/24/94/770912494.db2.gz VDFJPPBOJJEVQK-HNNXBMFYSA-N 2 0 302.422 0.664 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246173346 945355840 /nfs/dbraw/zinc/35/58/40/945355840.db2.gz LRMOOEHCXXIXJV-ALOPSCKCSA-N 2 0 316.449 0.705 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C3(C)C[NH2+]C3)cc2)CC1 ZINC001330960660 950793651 /nfs/dbraw/zinc/79/36/51/950793651.db2.gz JMUUGXYOFWPYJS-UHFFFAOYSA-N 2 0 302.422 0.664 20 10 DCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)[NH3+])CC2)cc1 ZINC000269289911 396404555 /nfs/dbraw/zinc/40/45/55/396404555.db2.gz KHCJXHCFZQYETL-CQSZACIVSA-N 2 0 320.437 0.671 20 10 DCCDRP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892940202 659525374 /nfs/dbraw/zinc/52/53/74/659525374.db2.gz SUORAZUWSPGVKG-CQSZACIVSA-N 2 0 319.453 0.927 20 10 DCCDRP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)OCO2 ZINC000843123353 672064631 /nfs/dbraw/zinc/06/46/31/672064631.db2.gz QINQHBUDKJHNRZ-CYBMUJFWSA-N 2 0 305.378 0.600 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234970598 769728940 /nfs/dbraw/zinc/72/89/40/769728940.db2.gz JRMPRHNDWDPUEU-SJLPKXTDSA-N 2 0 316.449 0.516 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCO[C@H]2CC[NH2+]C[C@@H]21 ZINC001235213615 769782828 /nfs/dbraw/zinc/78/28/28/769782828.db2.gz YJIPWJFKOKXCOZ-ROUUACIJSA-N 2 0 316.449 0.659 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001235299050 769798655 /nfs/dbraw/zinc/79/86/55/769798655.db2.gz NOIULENOXQNUTP-IYBDPMFKSA-N 2 0 302.422 0.269 20 10 DCCDRP Oc1cc(F)c(F)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869753 769953394 /nfs/dbraw/zinc/95/33/94/769953394.db2.gz IIQLMBVWIGXZEL-UHFFFAOYSA-N 2 0 314.380 0.255 20 10 DCCDRP [NH3+][C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001235911270 769959975 /nfs/dbraw/zinc/95/99/75/769959975.db2.gz QYJQOHPLBGNUFU-HUUCEWRRSA-N 2 0 308.401 0.673 20 10 DCCDRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160873275 772130259 /nfs/dbraw/zinc/13/02/59/772130259.db2.gz XJFFOESXKYMQCA-OAHLLOKOSA-N 2 0 318.421 0.027 20 10 DCCDRP [NH3+]CC[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCO1 ZINC001204756904 772960667 /nfs/dbraw/zinc/96/06/67/772960667.db2.gz SSHVMPHJZHOKMY-KRWDZBQOSA-N 3 0 304.438 0.646 20 10 DCCDRP [NH3+]C[C@@H]1[C@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@H]21 ZINC001204918588 772969076 /nfs/dbraw/zinc/96/90/76/772969076.db2.gz IJCCKHQLEZBSAX-PHZGNYQRSA-N 3 0 302.422 0.438 20 10 DCCDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(O)c(O)c(OC)c1 ZINC001193132844 773014774 /nfs/dbraw/zinc/01/47/74/773014774.db2.gz ZTXXTENSRVZHCX-UHFFFAOYSA-N 2 0 324.381 0.784 20 10 DCCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206469105 773079462 /nfs/dbraw/zinc/07/94/62/773079462.db2.gz OTPQKCCNGZJORU-FUHWJXTLSA-N 3 0 318.465 0.580 20 10 DCCDRP C[C@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[NH2+]1 ZINC001210499707 773714841 /nfs/dbraw/zinc/71/48/41/773714841.db2.gz WBRZAIMSVSKCKH-AWEZNQCLSA-N 2 0 304.438 0.986 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001218128971 774213117 /nfs/dbraw/zinc/21/31/17/774213117.db2.gz VSVMOGDBKIQXLH-GVDBMIGSSA-N 2 0 303.406 0.994 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1CCO[C@@]12CC[NH2+]C2 ZINC001218137066 774213643 /nfs/dbraw/zinc/21/36/43/774213643.db2.gz KZILJTYHRDSRME-DLBZAZTESA-N 2 0 303.406 0.996 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@@H]1CCO[C@]12CC[NH2+]C2 ZINC001218137069 774214263 /nfs/dbraw/zinc/21/42/63/774214263.db2.gz KZILJTYHRDSRME-SJORKVTESA-N 2 0 303.406 0.996 20 10 DCCDRP COC[C@@H](CCO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001200655691 774392250 /nfs/dbraw/zinc/39/22/50/774392250.db2.gz ZKIILTWQZFPBFX-MRXNPFEDSA-N 2 0 307.438 0.925 20 10 DCCDRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000876505753 668457329 /nfs/dbraw/zinc/45/73/29/668457329.db2.gz AYJAPADDZGAODE-YQQAZPJKSA-N 2 0 320.437 0.636 20 10 DCCDRP COc1cc(Br)cc(CN(CC[NH3+])CC[NH3+])c1O ZINC001235876919 769952160 /nfs/dbraw/zinc/95/21/60/769952160.db2.gz KKSLNBOIBYKRQV-UHFFFAOYSA-N 2 0 318.215 0.883 20 10 DCCDRP [NH3+][C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001235906536 769960212 /nfs/dbraw/zinc/96/02/12/769960212.db2.gz QYJQOHPLBGNUFU-CABCVRRESA-N 2 0 308.401 0.673 20 10 DCCDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C[C@H](O)CO ZINC001236934100 770023485 /nfs/dbraw/zinc/02/34/85/770023485.db2.gz CMJNJDXNKSKEGT-HNNXBMFYSA-N 2 0 311.401 0.363 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)c(F)c2)CC1 ZINC001236935981 770024197 /nfs/dbraw/zinc/02/41/97/770024197.db2.gz MZHFXRPBJJJHQL-WMLDXEAASA-N 2 0 323.412 0.363 20 10 DCCDRP COc1cc(CN2CC[C@@H]([NH3+])[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001205953197 773035065 /nfs/dbraw/zinc/03/50/65/773035065.db2.gz NJPNYHOLFYRMFB-ZIAGYGMSSA-N 2 0 309.410 0.356 20 10 DCCDRP [NH3+][C@H]1C[C@H](F)CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206437443 773076755 /nfs/dbraw/zinc/07/67/55/773076755.db2.gz VUMXQLPFIHMOEN-KBPBESRZSA-N 2 0 308.401 0.673 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1OC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001218075008 774211210 /nfs/dbraw/zinc/21/12/10/774211210.db2.gz XWXALIWNNXMESA-INIZCTEOSA-N 2 0 303.406 0.996 20 10 DCCDRP [NH3+][C@H](CC(=O)NCC[C@H]1CCOC12C[NH2+]C2)c1ccccc1O ZINC001219800663 774611724 /nfs/dbraw/zinc/61/17/24/774611724.db2.gz MKOIVTWCUVBBNF-GXTWGEPZSA-N 2 0 319.405 0.667 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCOC2(C[NH2+]C2)C1 ZINC001222446734 775352819 /nfs/dbraw/zinc/35/28/19/775352819.db2.gz BOZLHZFDEPRFQU-UHFFFAOYSA-N 2 0 302.422 0.270 20 10 DCCDRP COc1ccc(N2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246520979 945424266 /nfs/dbraw/zinc/42/42/66/945424266.db2.gz MTLDLFSFJDCGIG-INIZCTEOSA-N 2 0 316.449 0.911 20 10 DCCDRP c1cc(N2CCOCC2)ccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923459807 667535598 /nfs/dbraw/zinc/53/55/98/667535598.db2.gz HAVABMJHYJPROK-UHFFFAOYSA-N 2 0 304.438 0.518 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000846663378 672334555 /nfs/dbraw/zinc/33/45/55/672334555.db2.gz GZUHAWQCCSJRQI-CABCVRRESA-N 2 0 307.442 0.148 20 10 DCCDRP [NH3+]CCN(c1cccnc1)c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168834706 760473833 /nfs/dbraw/zinc/47/38/33/760473833.db2.gz RCEZYYOPXVMXKJ-UHFFFAOYSA-N 2 0 315.337 0.563 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@]2(CC[NH2+]2)C1 ZINC001235064166 769756817 /nfs/dbraw/zinc/75/68/17/769756817.db2.gz HCNMWTBRONOXGG-KRWDZBQOSA-N 2 0 302.422 0.740 20 10 DCCDRP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3C[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235340425 769820781 /nfs/dbraw/zinc/82/07/81/769820781.db2.gz IVXUNNRQSWBFME-GFCCVEGCSA-N 3 0 303.406 0.916 20 10 DCCDRP CC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235774576 769946806 /nfs/dbraw/zinc/94/68/06/769946806.db2.gz RVIOWFNUSHWENP-OAHLLOKOSA-N 2 0 304.438 0.986 20 10 DCCDRP CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236122717 769979683 /nfs/dbraw/zinc/97/96/83/769979683.db2.gz YSMQUYAYVSNNKV-HNNXBMFYSA-N 3 0 304.438 0.986 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC[NH2+]CCC1 ZINC001236238777 769985952 /nfs/dbraw/zinc/98/59/52/769985952.db2.gz BKCGSLQYIKXYCN-UHFFFAOYSA-N 3 0 304.438 0.987 20 10 DCCDRP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1CNCCO1 ZINC001205377395 772990000 /nfs/dbraw/zinc/99/00/00/772990000.db2.gz WQQTUCSTWQVBAQ-INIZCTEOSA-N 2 0 320.437 0.222 20 10 DCCDRP COC[C@@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001210545839 773719168 /nfs/dbraw/zinc/71/91/68/773719168.db2.gz RSAKRSYPDCBFIZ-AWEZNQCLSA-N 2 0 307.394 0.294 20 10 DCCDRP CO[C@H]1C[NH2+]C[C@@H]1N(C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001237172596 945121460 /nfs/dbraw/zinc/12/14/60/945121460.db2.gz HLICYGHGHWMNIO-BBRMVZONSA-N 2 0 307.394 0.293 20 10 DCCDRP C[NH2+]CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001337016110 952797470 /nfs/dbraw/zinc/79/74/70/952797470.db2.gz ORSWVOXMMKLOHN-HNNXBMFYSA-N 2 0 307.442 0.874 20 10 DCCDRP COC[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001522445527 1017509806 /nfs/dbraw/zinc/50/98/06/1017509806.db2.gz LZHLESFHTLSZDU-HNNXBMFYSA-N 2 0 306.410 0.028 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C[NH3+])CCCOC2)cc1 ZINC000876506193 668457972 /nfs/dbraw/zinc/45/79/72/668457972.db2.gz GZRNLZDVHYHZFD-WBVHZDCISA-N 2 0 320.437 0.624 20 10 DCCDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843048176 672056102 /nfs/dbraw/zinc/05/61/02/672056102.db2.gz RVTBMYVEMQKLLU-NSHDSACASA-N 2 0 321.377 0.408 20 10 DCCDRP COc1cc(CN2CCOC[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139254128 768463531 /nfs/dbraw/zinc/46/35/31/768463531.db2.gz FBMLXUATZSJFTO-AWEZNQCLSA-N 2 0 310.394 0.656 20 10 DCCDRP Oc1ccc(Cl)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869087 769952133 /nfs/dbraw/zinc/95/21/33/769952133.db2.gz JTOFGGYJDOHQGU-UHFFFAOYSA-N 2 0 312.845 0.630 20 10 DCCDRP CN1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000771819939 668754000 /nfs/dbraw/zinc/75/40/00/668754000.db2.gz YSOIMBISSBTIOA-OAHLLOKOSA-N 2 0 302.422 0.759 20 10 DCCDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000843052112 672056522 /nfs/dbraw/zinc/05/65/22/672056522.db2.gz GIUMJLBWELSODF-UHFFFAOYSA-N 2 0 318.465 0.860 20 10 DCCDRP [NH3+]CC1CC[NH+](Cc2ccc(N3C[C@H](O)C[C@@H]3CO)cc2)CC1 ZINC001170289529 762605088 /nfs/dbraw/zinc/60/50/88/762605088.db2.gz OVXIIHUMDNENAW-QZTJIDSGSA-N 2 0 319.449 0.789 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001235206972 769779587 /nfs/dbraw/zinc/77/95/87/769779587.db2.gz RYWVTDQCBCBWHB-ROUUACIJSA-N 2 0 316.449 0.659 20 10 DCCDRP Oc1cc2c(cc1CN1CCO[C@H]3CC[NH2+]C[C@@H]31)C[NH2+]CCO2 ZINC001235212373 769782386 /nfs/dbraw/zinc/78/23/86/769782386.db2.gz DQTZJRAYGSNVPO-HOCLYGCPSA-N 2 0 319.405 0.437 20 10 DCCDRP CCOc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1O ZINC001235870842 769954865 /nfs/dbraw/zinc/95/48/65/769954865.db2.gz PRYWGNQYVNPLGM-UHFFFAOYSA-N 2 0 322.453 0.375 20 10 DCCDRP COC(=O)c1c(CN(CC[NH3+])CC[NH3+])c2ccccc2n1C ZINC001235878449 769958680 /nfs/dbraw/zinc/95/86/80/769958680.db2.gz ZJCPPWWIRPNNLU-UHFFFAOYSA-N 2 0 304.394 0.684 20 10 DCCDRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(F)c1O ZINC001236310370 769993442 /nfs/dbraw/zinc/99/34/42/769993442.db2.gz YVLOCXWHPCBUBN-UHFFFAOYSA-N 2 0 312.389 0.147 20 10 DCCDRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001205725242 773014539 /nfs/dbraw/zinc/01/45/39/773014539.db2.gz FJRJRXGLKBJHGY-QGZVFWFLSA-N 3 0 321.421 0.550 20 10 DCCDRP C[C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H]1[NH3+] ZINC001205880537 773029651 /nfs/dbraw/zinc/02/96/51/773029651.db2.gz LWQOCXGPWPWRFC-CJNGLKHVSA-N 2 0 304.438 0.971 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246174435 945354812 /nfs/dbraw/zinc/35/48/12/945354812.db2.gz QCDYSTMGRVRVCN-INIZCTEOSA-N 3 0 316.449 0.707 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC001333730648 952143022 /nfs/dbraw/zinc/14/30/22/952143022.db2.gz KNUBIRVESZFGEE-MRXNPFEDSA-N 2 0 302.422 0.807 20 10 DCCDRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001339845922 953123638 /nfs/dbraw/zinc/12/36/38/953123638.db2.gz SKROFUCGYROFLK-UGFHNGPFSA-N 2 0 308.426 0.085 20 10 DCCDRP CN(C)c1ccc([C@@H](CNC(=O)COCC[NH3+])[NH+](C)C)cc1 ZINC001343165924 953326349 /nfs/dbraw/zinc/32/63/49/953326349.db2.gz MHOWUJUPTKCJMX-OAHLLOKOSA-N 2 0 308.426 0.447 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC(=O)NC3CC3)cc2)CC1 ZINC000771821959 668754344 /nfs/dbraw/zinc/75/43/44/668754344.db2.gz BRNQNWAFBPXPST-UHFFFAOYSA-N 2 0 302.422 0.807 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)cc2)CC1 ZINC000775735797 668867110 /nfs/dbraw/zinc/86/71/10/668867110.db2.gz XCOYXKRSFWZCJR-CALCHBBNSA-N 2 0 305.422 0.366 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3COCCOC3)cc2)CC1 ZINC001621498755 1171409953 /nfs/dbraw/zinc/40/99/53/1171409953.db2.gz HKDOQJPLXWUBGG-UHFFFAOYSA-N 2 0 305.422 0.943 20 10 DCCDRP COc1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc(C[NH+](C)C)c1O ZINC001139257304 768464419 /nfs/dbraw/zinc/46/44/19/768464419.db2.gz XJUKWDZNPRXQLA-GFCCVEGCSA-N 2 0 307.394 0.770 20 10 DCCDRP C[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)[C@@H](C)C[NH2+]1 ZINC001236079133 769977984 /nfs/dbraw/zinc/97/79/84/769977984.db2.gz MDPJNQQMUCRCOA-KBPBESRZSA-N 2 0 304.438 0.984 20 10 DCCDRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924144 772138700 /nfs/dbraw/zinc/13/87/00/772138700.db2.gz DNDMXEDCSQHUDY-CYBMUJFWSA-N 2 0 317.389 0.182 20 10 DCCDRP C[NH+](C)CCN(C(=O)Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001161449298 772225333 /nfs/dbraw/zinc/22/53/33/772225333.db2.gz LGUCAUHBTLTLKG-INIZCTEOSA-N 2 0 304.438 0.954 20 10 DCCDRP COc1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c(OC)c1 ZINC001222104371 775272098 /nfs/dbraw/zinc/27/20/98/775272098.db2.gz FQHPGBIZQBXRAE-UHFFFAOYSA-N 2 0 321.421 0.937 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC001331452848 951124878 /nfs/dbraw/zinc/12/48/78/951124878.db2.gz CMKYUVJUKMAYDO-UHFFFAOYSA-N 2 0 317.437 0.553 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCOCCC[NH3+])cc2)CC1 ZINC000863483514 667148569 /nfs/dbraw/zinc/14/85/69/667148569.db2.gz BYFPZXQUJCJUQG-UHFFFAOYSA-N 3 0 306.454 0.893 20 10 DCCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(CO)CO ZINC000775708750 668866916 /nfs/dbraw/zinc/86/69/16/668866916.db2.gz OFKJMSSPLPLVDH-UHFFFAOYSA-N 2 0 321.465 0.861 20 10 DCCDRP Fc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1N1CCOCC1 ZINC000841043924 671910007 /nfs/dbraw/zinc/91/00/07/671910007.db2.gz ZGTHCULHUMFMCI-UHFFFAOYSA-N 2 0 322.428 0.657 20 10 DCCDRP [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235167850 769772055 /nfs/dbraw/zinc/77/20/55/769772055.db2.gz BTVVNVORJDLQIZ-WMLDXEAASA-N 2 0 302.422 0.725 20 10 DCCDRP CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161135509 772173099 /nfs/dbraw/zinc/17/30/99/772173099.db2.gz XRBFQDMSYKRSHE-INIZCTEOSA-N 2 0 316.449 0.910 20 10 DCCDRP CN(C)c1ccc([C@H](CNc2nc(N)[nH+]c(N)n2)[NH+](C)C)cc1 ZINC001164317746 772645434 /nfs/dbraw/zinc/64/54/34/772645434.db2.gz GZYKDCCPNHESJY-LBPRGKRZSA-N 2 0 316.413 0.817 20 10 DCCDRP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205331491 772987637 /nfs/dbraw/zinc/98/76/37/772987637.db2.gz GRFXKOASYFORRF-CQSZACIVSA-N 3 0 304.438 0.986 20 10 DCCDRP [NH3+]C[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1O ZINC001206468833 773079614 /nfs/dbraw/zinc/07/96/14/773079614.db2.gz KZECWDIWNWPNAO-GOEBONIOSA-N 2 0 317.433 0.842 20 10 DCCDRP Cc1cc(C)c(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(O)c1 ZINC001220825630 774926871 /nfs/dbraw/zinc/92/68/71/774926871.db2.gz OVIHQDBILPINST-OAHLLOKOSA-N 2 0 320.437 0.376 20 10 DCCDRP CN(C)c1ccc([C@@H](CNC(=O)NCC2C[NH2+]C2)[NH+](C)C)cc1 ZINC001336241067 952666003 /nfs/dbraw/zinc/66/60/03/952666003.db2.gz PAFXMAGOAJXYLD-MRXNPFEDSA-N 2 0 319.453 0.874 20 10 DCCDRP CN(C)c1ccc(CN2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000193306784 396448559 /nfs/dbraw/zinc/44/85/59/396448559.db2.gz SGFIREAFHOKKQW-UHFFFAOYSA-N 2 0 304.438 0.958 20 10 DCCDRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791143 671160598 /nfs/dbraw/zinc/16/05/98/671160598.db2.gz CYFSSVFTYIPLAN-CABCVRRESA-N 2 0 308.426 0.621 20 10 DCCDRP COc1ccc(N2CCC[N@H+](C[C@]3(O)CC[NH2+]C3)CC2)cc1 ZINC001579226026 1165245041 /nfs/dbraw/zinc/24/50/41/1165245041.db2.gz YTDVEWRBLPBNDK-KRWDZBQOSA-N 2 0 305.422 0.932 20 10 DCCDRP COc1cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139256347 768464138 /nfs/dbraw/zinc/46/41/38/768464138.db2.gz ZHTQDESFIUSXHM-UONOGXRCSA-N 2 0 310.394 0.247 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CC2(C1)CC[NH2+]CC2 ZINC001235089256 769758623 /nfs/dbraw/zinc/75/86/23/769758623.db2.gz NOBNGAGLSHCUJI-UHFFFAOYSA-N 3 0 316.449 0.987 20 10 DCCDRP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235253080 769791557 /nfs/dbraw/zinc/79/15/57/769791557.db2.gz BUAIVNBCXZPEIC-BPUTZDHNSA-N 3 0 302.422 0.723 20 10 DCCDRP Oc1cc2c(cc1C[N@H+]1C[C@H]3C[NH2+]CC[C@@H]3C1)C[NH2+]CCO2 ZINC001235935698 769962981 /nfs/dbraw/zinc/96/29/81/769962981.db2.gz DZAGFALLEFTYHD-IUODEOHRSA-N 3 0 303.406 0.916 20 10 DCCDRP [NH3+]CC1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC1 ZINC001205046666 772974801 /nfs/dbraw/zinc/97/48/01/772974801.db2.gz IJFFMASTCXOACA-UHFFFAOYSA-N 3 0 304.438 0.973 20 10 DCCDRP [NH3+]CCN1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001209976651 773663065 /nfs/dbraw/zinc/66/30/65/773663065.db2.gz WBHWSWYSUYYINZ-UHFFFAOYSA-N 3 0 303.454 0.173 20 10 DCCDRP COC(=O)[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001252437561 945929919 /nfs/dbraw/zinc/92/99/19/945929919.db2.gz UEWQUZHFIUSIIJ-OAHLLOKOSA-N 2 0 307.394 0.062 20 10 DCCDRP CCN(CC[NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892938565 659522767 /nfs/dbraw/zinc/52/27/67/659522767.db2.gz ASQYRTVIFWEYHA-UHFFFAOYSA-N 2 0 319.453 0.929 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCC3)cc2)CC1 ZINC000905426764 663556861 /nfs/dbraw/zinc/55/68/61/663556861.db2.gz JQXJWVYEITWSSB-KRWDZBQOSA-N 2 0 319.449 0.804 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000886245534 667745120 /nfs/dbraw/zinc/74/51/20/667745120.db2.gz YRLDDPLLTOLJDJ-XGBSXSJOSA-N 2 0 305.422 0.412 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CCOCC3)cc2)CC1 ZINC000771815341 668753028 /nfs/dbraw/zinc/75/30/28/668753028.db2.gz AYKOMPBGBWFHQI-UHFFFAOYSA-N 2 0 318.465 0.860 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCOC2C[NH2+]C2)cc1 ZINC000832273311 671712663 /nfs/dbraw/zinc/71/26/63/671712663.db2.gz NGSJEVRRTGTNFR-HNNXBMFYSA-N 2 0 306.410 0.247 20 10 DCCDRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267406 671712794 /nfs/dbraw/zinc/71/27/94/671712794.db2.gz RQESNZDYIHSRQD-KGLIPLIRSA-N 2 0 322.409 0.149 20 10 DCCDRP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC001140302432 768524230 /nfs/dbraw/zinc/52/42/30/768524230.db2.gz RFDWDRXIXALLPO-SJLPKXTDSA-N 2 0 319.449 0.614 20 10 DCCDRP Oc1cc2c(cc1CN1CCN[C@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235061460 769755116 /nfs/dbraw/zinc/75/51/16/769755116.db2.gz LSFSAVQQOGLJBK-KRWDZBQOSA-N 2 0 318.421 0.012 20 10 DCCDRP Oc1cc2c(cc1CN1CC[C@@H]3C[NH2+]C[C@@H]3C1)C[NH2+]CCO2 ZINC001235199224 769779165 /nfs/dbraw/zinc/77/91/65/769779165.db2.gz VHIDCRDBILNHQD-IUODEOHRSA-N 2 0 303.406 0.916 20 10 DCCDRP COc1cc(CN(CC[NH3+])CC[NH3+])c(O)cc1Br ZINC001235880366 769958684 /nfs/dbraw/zinc/95/86/84/769958684.db2.gz KOIILNFLDHRDQF-UHFFFAOYSA-N 2 0 318.215 0.883 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@@H]43)c(F)c2)CC1 ZINC001236292137 769987783 /nfs/dbraw/zinc/98/77/83/769987783.db2.gz MQMUEMVTSYYBTH-YOEHRIQHSA-N 2 0 304.413 0.981 20 10 DCCDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@@H]12 ZINC001236830589 770019545 /nfs/dbraw/zinc/01/95/45/770019545.db2.gz OAWURJFENDJKQN-IAOVAPTHSA-N 3 0 316.449 0.971 20 10 DCCDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@H]12 ZINC001236830720 770019604 /nfs/dbraw/zinc/01/96/04/770019604.db2.gz OAWURJFENDJKQN-XOKHGSTOSA-N 3 0 316.449 0.971 20 10 DCCDRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC001206524974 773083955 /nfs/dbraw/zinc/08/39/55/773083955.db2.gz DROMPFNRAPHMLG-YOEHRIQHSA-N 2 0 305.422 0.399 20 10 DCCDRP COC[C@H]1CN(Cc2cc3c(cc2O)OCC[NH2+]C3)CC[NH2+]1 ZINC001210049665 773670910 /nfs/dbraw/zinc/67/09/10/773670910.db2.gz CUEAZCFEBKMSLU-CQSZACIVSA-N 2 0 307.394 0.294 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001341242884 953218899 /nfs/dbraw/zinc/21/88/99/953218899.db2.gz DMNVKZYSZZNSKD-OAHLLOKOSA-N 2 0 302.422 0.964 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC001353507408 956086538 /nfs/dbraw/zinc/08/65/38/956086538.db2.gz LSPLIIQFFHHXOM-HNNXBMFYSA-N 2 0 317.437 0.681 20 10 DCCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN(C)CC[NH3+])CC2)cc1 ZINC000923377644 667520727 /nfs/dbraw/zinc/52/07/27/667520727.db2.gz AHIMJQRQUAQHBJ-INIZCTEOSA-N 2 0 322.453 0.069 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)[C@H](CO)C3)cc2)CC1 ZINC000839165406 667734472 /nfs/dbraw/zinc/73/44/72/667734472.db2.gz JGBZIEQYJBYOQV-RDJZCZTQSA-N 2 0 305.422 0.223 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(C)C[NH2+]CCO2)cc1 ZINC000876506429 668458066 /nfs/dbraw/zinc/45/80/66/668458066.db2.gz KECHWFDQSPXKPF-GOEBONIOSA-N 2 0 306.410 0.247 20 10 DCCDRP COc1cc(O)c(C[N@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000843053282 672056587 /nfs/dbraw/zinc/05/65/87/672056587.db2.gz SUGAWLLVYWHEEA-UHFFFAOYSA-N 2 0 309.410 0.746 20 10 DCCDRP CCOC(=O)CN(CC[NH3+])c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170995279 766381188 /nfs/dbraw/zinc/38/11/88/766381188.db2.gz IBHYKNPTDTYHLR-UHFFFAOYSA-N 2 0 308.338 0.526 20 10 DCCDRP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001119418592 766670104 /nfs/dbraw/zinc/67/01/04/766670104.db2.gz FULJJCRHJXVMQU-AWEZNQCLSA-N 2 0 319.453 0.846 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005031 769740629 /nfs/dbraw/zinc/74/06/29/769740629.db2.gz FWJNHHFPYYYOJQ-XJKSGUPXSA-N 2 0 302.422 0.596 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235034017 769747515 /nfs/dbraw/zinc/74/75/15/769747515.db2.gz RWJPPGCODRDUST-SFHVURJKSA-N 3 0 316.449 0.987 20 10 DCCDRP Oc1cc2c(cc1CN1CCO[C@H]3C[NH2+]C[C@H]31)C[NH2+]CCO2 ZINC001235211810 769783004 /nfs/dbraw/zinc/78/30/04/769783004.db2.gz HXVGCOQZJHAIPY-CJNGLKHVSA-N 2 0 305.378 0.047 20 10 DCCDRP COC(=O)[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1[NH3+] ZINC001236349490 770002623 /nfs/dbraw/zinc/00/26/23/770002623.db2.gz PCCLRMMLFPWVGO-HOTGVXAUSA-N 2 0 318.421 0.028 20 10 DCCDRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236605836 770013044 /nfs/dbraw/zinc/01/30/44/770013044.db2.gz VNRVDKJHWJXNFS-KRWDZBQOSA-N 3 0 304.438 0.973 20 10 DCCDRP [NH3+]CCS(=O)(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001238807226 770130116 /nfs/dbraw/zinc/13/01/16/770130116.db2.gz FAVBHSOVPRCERZ-UHFFFAOYSA-N 2 0 313.423 0.235 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246172195 945355724 /nfs/dbraw/zinc/35/57/24/945355724.db2.gz GKYRBQYAEHEDNQ-INIZCTEOSA-N 3 0 315.465 0.280 20 10 DCCDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(N)cc1 ZINC001335737745 952591762 /nfs/dbraw/zinc/59/17/62/952591762.db2.gz UBQJWDIJWVWRHZ-UHFFFAOYSA-N 2 0 307.442 0.904 20 10 DCCDRP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892145148 658222227 /nfs/dbraw/zinc/22/22/27/658222227.db2.gz LDWNQWYKJCLEFO-KBPBESRZSA-N 2 0 319.453 0.973 20 10 DCCDRP COc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(O)c1OC ZINC000893039524 659698785 /nfs/dbraw/zinc/69/87/85/659698785.db2.gz XTDDSKQJRFTDEH-UHFFFAOYSA-N 2 0 310.394 0.956 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)cc1 ZINC000911665835 664096716 /nfs/dbraw/zinc/09/67/16/664096716.db2.gz FIOLXRNAVZMRRI-LEOABGAYSA-N 2 0 302.422 0.852 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@]2(O)CCC[NH2+]C2)cc1 ZINC000911667767 664097274 /nfs/dbraw/zinc/09/72/74/664097274.db2.gz SGHQRVCCECWEOV-NVXWUHKLSA-N 2 0 320.437 0.373 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000876506191 668458164 /nfs/dbraw/zinc/45/81/64/668458164.db2.gz GZRNLZDVHYHZFD-NVXWUHKLSA-N 2 0 320.437 0.624 20 10 DCCDRP C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1C[NH2+]C1 ZINC000854220897 670536474 /nfs/dbraw/zinc/53/64/74/670536474.db2.gz BVJLNBSWWBLFNK-CYBMUJFWSA-N 2 0 323.462 0.619 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000841846252 671959705 /nfs/dbraw/zinc/95/97/05/671959705.db2.gz NEVFHFBDRWWNDY-HOTGVXAUSA-N 2 0 320.437 0.637 20 10 DCCDRP COC1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000843296860 672080112 /nfs/dbraw/zinc/08/01/12/672080112.db2.gz HGTVUPNLZIDJJL-OAHLLOKOSA-N 2 0 320.437 0.637 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@@H](O)C3)cc2)CC1 ZINC001139409056 756426640 /nfs/dbraw/zinc/42/66/40/756426640.db2.gz TZCLPWFCOKWNRL-KRWDZBQOSA-N 2 0 305.422 0.632 20 10 DCCDRP C[NH+](C)CCN1CC[N@H+](Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144514774 766964592 /nfs/dbraw/zinc/96/45/92/766964592.db2.gz RNNOBIKNQZMZNQ-UHFFFAOYSA-N 2 0 323.393 0.399 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235005907 769740122 /nfs/dbraw/zinc/74/01/22/769740122.db2.gz ZJFXUFNIADCEOU-HOTGVXAUSA-N 2 0 302.422 0.738 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235025934 769745443 /nfs/dbraw/zinc/74/54/43/769745443.db2.gz GTSKEZUMICLCBB-UHFFFAOYSA-N 3 0 302.422 0.597 20 10 DCCDRP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410791 770009469 /nfs/dbraw/zinc/00/94/69/770009469.db2.gz DMFGOXYQGXWHFA-QLPKVWCKSA-N 3 0 302.422 0.451 20 10 DCCDRP COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205736023 773015198 /nfs/dbraw/zinc/01/51/98/773015198.db2.gz TXTDOOIGIMJZIH-KRWDZBQOSA-N 2 0 322.405 0.783 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C)CCNC3=O)cc2)CC1 ZINC001333876288 952185060 /nfs/dbraw/zinc/18/50/60/952185060.db2.gz NUNUDRJPHBCSAH-KRWDZBQOSA-N 2 0 302.422 0.807 20 10 DCCDRP C[NH+](C)CCN1C[C@H]2CN(Cc3ccc(O)cc3O)C[C@@H](C1)O2 ZINC001275952722 952556324 /nfs/dbraw/zinc/55/63/24/952556324.db2.gz LEEYIUQKSOPLCR-IYBDPMFKSA-N 2 0 321.421 0.544 20 10 DCCDRP C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892095858 658178710 /nfs/dbraw/zinc/17/87/10/658178710.db2.gz YVOKMNYFYRGNNA-ZDUSSCGKSA-N 2 0 305.426 0.585 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)C[NH2+]CCO2)cc1 ZINC000876506431 668457790 /nfs/dbraw/zinc/45/77/90/668457790.db2.gz KECHWFDQSPXKPF-ZBFHGGJFSA-N 2 0 306.410 0.247 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)COCC[NH3+])cc2)CC1 ZINC001119375569 766654770 /nfs/dbraw/zinc/65/47/70/766654770.db2.gz SXZPJUARZCHIMI-UHFFFAOYSA-N 2 0 306.410 0.030 20 10 DCCDRP CN(Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@@H]1C[NH2+]CCO1 ZINC001205539366 772999249 /nfs/dbraw/zinc/99/92/49/772999249.db2.gz XOBDZRGMWUIFPD-AWEZNQCLSA-N 2 0 307.394 0.294 20 10 DCCDRP C[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892103371 658188035 /nfs/dbraw/zinc/18/80/35/658188035.db2.gz NDKWFBWJXDNWKH-CYBMUJFWSA-N 2 0 305.426 0.585 20 10 DCCDRP C[NH+](C)C[C@@](C)(O)CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771859009 668757522 /nfs/dbraw/zinc/75/75/22/668757522.db2.gz KHFAWYUOFWKOQT-SFHVURJKSA-N 2 0 320.481 0.841 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000841846659 671959305 /nfs/dbraw/zinc/95/93/05/671959305.db2.gz RMZGKOQFRIPTOR-BFYDXBDKSA-N 2 0 302.422 0.868 20 10 DCCDRP CN1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C[NH3+])C1 ZINC000843121318 672064195 /nfs/dbraw/zinc/06/41/95/672064195.db2.gz DBWOQFOVCVTSNM-SFHVURJKSA-N 2 0 317.481 0.513 20 10 DCCDRP COc1cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255721 768464402 /nfs/dbraw/zinc/46/44/02/768464402.db2.gz RSRIMCAUVXVYTC-HIFRSBDPSA-N 2 0 324.421 0.638 20 10 DCCDRP [NH3+][C@H](CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1O ZINC001158179447 771734842 /nfs/dbraw/zinc/73/48/42/771734842.db2.gz MOZYCXRJEVWUAJ-UXIGCNINSA-N 2 0 305.378 0.229 20 10 DCCDRP [NH3+][C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC12CC2 ZINC001204912322 772968481 /nfs/dbraw/zinc/96/84/81/772968481.db2.gz UESVEUWQHZARIG-MRXNPFEDSA-N 2 0 302.422 0.725 20 10 DCCDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001205248383 772984881 /nfs/dbraw/zinc/98/48/81/772984881.db2.gz OTXHPWDTRVPGDU-QGZVFWFLSA-N 3 0 321.421 0.550 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001218129475 774213369 /nfs/dbraw/zinc/21/33/69/774213369.db2.gz MLICYRLEUMVIJM-IRXDYDNUSA-N 2 0 303.406 0.996 20 10 DCCDRP COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CN1 ZINC001246174973 945354295 /nfs/dbraw/zinc/35/42/95/945354295.db2.gz QUVCKTAQFZWFDE-GDBMZVCRSA-N 2 0 318.421 0.089 20 10 DCCDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)cc(O)cc1O ZINC001275112740 951962234 /nfs/dbraw/zinc/96/22/34/951962234.db2.gz NOTRMHPXXXYXBT-TXEJJXNPSA-N 2 0 307.394 0.624 20 10 DCCDRP C[NH+](C)CCN1CCC12C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112828 951962304 /nfs/dbraw/zinc/96/23/04/951962304.db2.gz SWSMBERAGNPPEN-UHFFFAOYSA-N 2 0 307.394 0.625 20 10 DCCDRP C[NH2+]CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001337016112 952796941 /nfs/dbraw/zinc/79/69/41/952796941.db2.gz ORSWVOXMMKLOHN-OAHLLOKOSA-N 2 0 307.442 0.874 20 10 DCCDRP CO[C@@H](C[NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001349886078 954918824 /nfs/dbraw/zinc/91/88/24/954918824.db2.gz QJUIHACRWIAVLF-HNNXBMFYSA-N 2 0 306.410 0.028 20 10 DCCDRP COCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001514582411 1016980740 /nfs/dbraw/zinc/98/07/40/1016980740.db2.gz SVAKFSNJYBGDNP-HZPDHXFCSA-N 2 0 322.453 0.835 20 10 DCCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)[NH3+])cc2F)CC1 ZINC000236895987 521697613 /nfs/dbraw/zinc/69/76/13/521697613.db2.gz KGCYTMRHSQJVFU-LBPRGKRZSA-N 2 0 308.401 0.931 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000892006724 658098336 /nfs/dbraw/zinc/09/83/36/658098336.db2.gz MACACDJXNSASTQ-OAHLLOKOSA-N 2 0 317.437 0.600 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@@]3(C)CO)cc2)CC1 ZINC000895329323 662169940 /nfs/dbraw/zinc/16/99/40/662169940.db2.gz IYXITQUJUIBMNI-ROUUACIJSA-N 2 0 319.449 0.756 20 10 DCCDRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000876505754 668457435 /nfs/dbraw/zinc/45/74/35/668457435.db2.gz AYJAPADDZGAODE-ZMSDIMECSA-N 2 0 320.437 0.636 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C)C[NH2+]CCO2)cc1 ZINC000876506428 668458172 /nfs/dbraw/zinc/45/81/72/668458172.db2.gz KECHWFDQSPXKPF-GDBMZVCRSA-N 2 0 306.410 0.247 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C(N)=O)cc2)CC1 ZINC000824960456 671445077 /nfs/dbraw/zinc/44/50/77/671445077.db2.gz WCIAVADSPPZFKV-MRXNPFEDSA-N 2 0 302.422 0.888 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000841846679 671959658 /nfs/dbraw/zinc/95/96/58/671959658.db2.gz RTASXAVSUAEHQM-ZFWWWQNUSA-N 2 0 322.478 0.964 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000843065096 672057674 /nfs/dbraw/zinc/05/76/74/672057674.db2.gz IXKNEGMWUQZCTR-KRWDZBQOSA-N 2 0 304.438 0.598 20 10 DCCDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)[C@H](CO)C3)cc2)CC1 ZINC001140302408 768524285 /nfs/dbraw/zinc/52/42/85/768524285.db2.gz RFDWDRXIXALLPO-FUHWJXTLSA-N 2 0 319.449 0.614 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCO[C@@H]2CC[NH2+]C[C@@H]21 ZINC001235007828 769741518 /nfs/dbraw/zinc/74/15/18/769741518.db2.gz YJIPWJFKOKXCOZ-ZWKOTPCHSA-N 2 0 316.449 0.659 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187890 769774555 /nfs/dbraw/zinc/77/45/55/769774555.db2.gz GUGNOPHDUJTGAK-XJKSGUPXSA-N 2 0 302.422 0.596 20 10 DCCDRP Oc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[NH2+]C[C@H]3C1)C[NH2+]CCO2 ZINC001235935703 769962843 /nfs/dbraw/zinc/96/28/43/769962843.db2.gz DZAGFALLEFTYHD-WFASDCNBSA-N 3 0 303.406 0.916 20 10 DCCDRP [NH3+][C@H](CC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)c1ccccc1O ZINC001161009510 772148304 /nfs/dbraw/zinc/14/83/04/772148304.db2.gz WIAHGUGTFDDWDN-UKRRQHHQSA-N 2 0 319.405 0.498 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001218107445 774213266 /nfs/dbraw/zinc/21/32/66/774213266.db2.gz WXTQIDJEPDJAQJ-DOTOQJQBSA-N 2 0 302.422 0.521 20 10 DCCDRP [NH3+][C@H](CC(=O)NCC[C@@H]1CCOC12C[NH2+]C2)c1ccccc1O ZINC001219800763 774612225 /nfs/dbraw/zinc/61/22/25/774612225.db2.gz MKOIVTWCUVBBNF-TZMCWYRMSA-N 2 0 319.405 0.667 20 10 DCCDRP [NH3+][C@H](CC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1ccccc1O ZINC001219831327 774623350 /nfs/dbraw/zinc/62/33/50/774623350.db2.gz GVUYMAVPTIRHIZ-CVMIBZJCSA-N 2 0 305.378 0.275 20 10 DCCDRP CN(C)c1ccc([C@@H](CNC(=O)CNCC[NH3+])[NH+](C)C)cc1 ZINC001263260258 947827432 /nfs/dbraw/zinc/82/74/32/947827432.db2.gz WFPGQWZBFRFDQF-OAHLLOKOSA-N 2 0 307.442 0.020 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000892006723 658099237 /nfs/dbraw/zinc/09/92/37/658099237.db2.gz MACACDJXNSASTQ-HNNXBMFYSA-N 2 0 317.437 0.600 20 10 DCCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCNC1=O ZINC000775742553 668867259 /nfs/dbraw/zinc/86/72/59/668867259.db2.gz ATIFRBYQJWDCBI-INIZCTEOSA-N 2 0 302.422 0.759 20 10 DCCDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819076426 671092286 /nfs/dbraw/zinc/09/22/86/671092286.db2.gz BRQFXSNRARARAS-SFHVURJKSA-N 2 0 320.481 0.759 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000841846253 671959604 /nfs/dbraw/zinc/95/96/04/671959604.db2.gz NEVFHFBDRWWNDY-HZPDHXFCSA-N 2 0 320.437 0.637 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000843299235 672080324 /nfs/dbraw/zinc/08/03/24/672080324.db2.gz UMTFHRALMFHYFG-CQSZACIVSA-N 2 0 306.410 0.247 20 10 DCCDRP COc1cc(O)c(CN2CCNC[C@@]23CC[NH2+]C3)c(OC)c1 ZINC001234985889 769732579 /nfs/dbraw/zinc/73/25/79/769732579.db2.gz HATFYERHCGBPHB-INIZCTEOSA-N 2 0 307.394 0.547 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235264665 769794015 /nfs/dbraw/zinc/79/40/15/769794015.db2.gz ADEVEWFKSLHKDT-YOEHRIQHSA-N 3 0 316.449 0.986 20 10 DCCDRP COC(=O)[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCN1 ZINC001235448213 769849117 /nfs/dbraw/zinc/84/91/17/769849117.db2.gz YAEUSTXMSLSOSQ-MRXNPFEDSA-N 2 0 318.421 0.043 20 10 DCCDRP C[NH+](C)CCOc1cc(N(CC[NH3+])CCO)ccc1[N+](=O)[O-] ZINC001163836596 772580059 /nfs/dbraw/zinc/58/00/59/772580059.db2.gz WFVZDBIUAUODAH-UHFFFAOYSA-N 2 0 312.370 0.293 20 10 DCCDRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205681464 773006139 /nfs/dbraw/zinc/00/61/39/773006139.db2.gz JTFXIWOLYAPUET-GOSISDBHSA-N 3 0 318.465 0.772 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC001222635006 775402618 /nfs/dbraw/zinc/40/26/18/775402618.db2.gz MSXIFJRSKJODAH-IAGOWNOFSA-N 2 0 302.422 0.269 20 10 DCCDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112989 951962795 /nfs/dbraw/zinc/96/27/95/951962795.db2.gz WIIZAVBIIAXNLI-UHFFFAOYSA-N 2 0 307.394 0.483 20 10 DCCDRP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC001341513431 953234707 /nfs/dbraw/zinc/23/47/07/953234707.db2.gz RXXPKJMURKVBTI-HZPDHXFCSA-N 2 0 320.437 0.460 20 10 DCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)[NH3+])CC2)cc1 ZINC000269289908 396404615 /nfs/dbraw/zinc/40/46/15/396404615.db2.gz KHCJXHCFZQYETL-AWEZNQCLSA-N 2 0 320.437 0.671 20 10 DCCDRP CON(C)C(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895040533 662044929 /nfs/dbraw/zinc/04/49/29/662044929.db2.gz HSRQRVSOZATPPN-UHFFFAOYSA-N 2 0 306.410 0.548 20 10 DCCDRP CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923517373 667552415 /nfs/dbraw/zinc/55/24/15/667552415.db2.gz KOBYHTRYKHOEPY-JKSUJKDBSA-N 2 0 316.449 0.910 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3COCCO3)cc2)CC1 ZINC000771824941 668754972 /nfs/dbraw/zinc/75/49/72/668754972.db2.gz SYMFQMDBMICTMS-QGZVFWFLSA-N 2 0 305.422 0.943 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3nnc[nH]3)cc2)CC1 ZINC001657360730 1173910982 /nfs/dbraw/zinc/91/09/82/1173910982.db2.gz SVLMGFBLLHFSAL-UHFFFAOYSA-N 2 0 300.410 0.889 20 10 DCCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)C[C@H](O)CO)cc2)CC1 ZINC001140304203 768524123 /nfs/dbraw/zinc/52/41/23/768524123.db2.gz ZWUSXJRVEZALHC-KRWDZBQOSA-N 2 0 307.438 0.614 20 10 DCCDRP COc1cc(O)c(CN(CC[NH3+])CC[NH3+])cc1Br ZINC001235876716 769958660 /nfs/dbraw/zinc/95/86/60/769958660.db2.gz AXNGZSFDNDRZOQ-UHFFFAOYSA-N 2 0 318.215 0.883 20 10 DCCDRP [NH3+]CCN(CC[NH3+])Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001235877498 769958844 /nfs/dbraw/zinc/95/88/44/769958844.db2.gz LXRYKZQLSQDCNZ-UHFFFAOYSA-N 2 0 312.845 0.896 20 10 DCCDRP C[C@H]1C[C@@H]([NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046887 769971821 /nfs/dbraw/zinc/97/18/21/769971821.db2.gz JHYLMRCYYSBWHU-DZGCQCFKSA-N 2 0 304.438 0.971 20 10 DCCDRP OCC[C@H]1CN(Cc2cc3c(cc2O)OCC[NH2+]C3)CC[NH2+]1 ZINC001236086295 769979650 /nfs/dbraw/zinc/97/96/50/769979650.db2.gz WBBWMYXCEONLLK-AWEZNQCLSA-N 2 0 307.394 0.030 20 10 DCCDRP Cc1ccc(C)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236310652 769993349 /nfs/dbraw/zinc/99/33/49/769993349.db2.gz LHYJRLCCCDWCDZ-UHFFFAOYSA-N 2 0 322.453 0.625 20 10 DCCDRP Oc1cc2c(cc1CN1CCO[C@@H]3C[NH2+]C[C@H]31)C[NH2+]CCO2 ZINC001222634820 775401709 /nfs/dbraw/zinc/40/17/09/775401709.db2.gz HXVGCOQZJHAIPY-CZUORRHYSA-N 2 0 305.378 0.047 20 10 DCCDRP C[NH2+]CC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000237221992 521962486 /nfs/dbraw/zinc/96/24/86/521962486.db2.gz APQBPLPIGYMEFB-UHFFFAOYSA-N 2 0 320.437 0.543 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870933613 667775344 /nfs/dbraw/zinc/77/53/44/667775344.db2.gz RDQGAUAEUMETSR-RMRKRWHISA-N 2 0 302.422 0.996 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(CO)CCOC3)cc2)CC1 ZINC000757979322 668152906 /nfs/dbraw/zinc/15/29/06/668152906.db2.gz YFUDUMBDVJYMRS-QGZVFWFLSA-N 2 0 305.422 0.679 20 10 DCCDRP c1cc(N2CCOCC2)ccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841029981 671909040 /nfs/dbraw/zinc/90/90/40/671909040.db2.gz QBCDGDVGVMBIMS-UHFFFAOYSA-N 2 0 318.465 0.908 20 10 DCCDRP C[C@H]([NH3+])[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000843056899 672056981 /nfs/dbraw/zinc/05/69/81/672056981.db2.gz BPGCSGHCEIJYGW-MAUKXSAKSA-N 2 0 318.465 0.986 20 10 DCCDRP C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000843056900 672057349 /nfs/dbraw/zinc/05/73/49/672057349.db2.gz BPGCSGHCEIJYGW-QAPCUYQASA-N 2 0 318.465 0.986 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNc3nc(N)[nH+]c(N)n3)cc2)CC1 ZINC001640335671 1171876637 /nfs/dbraw/zinc/87/66/37/1171876637.db2.gz FOOQSKDRSDFYAM-UHFFFAOYSA-N 2 0 314.397 0.400 20 10 DCCDRP C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001119483815 766693576 /nfs/dbraw/zinc/69/35/76/766693576.db2.gz XYHAACWGHFORIR-CQSZACIVSA-N 2 0 319.453 0.927 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCN2CC[NH2+]C[C@H]2C1 ZINC001234977607 769731333 /nfs/dbraw/zinc/73/13/33/769731333.db2.gz GCOKGQBIZJZASF-SFHVURJKSA-N 2 0 315.465 0.186 20 10 DCCDRP C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235450002 769848230 /nfs/dbraw/zinc/84/82/30/769848230.db2.gz MDPJNQQMUCRCOA-UONOGXRCSA-N 2 0 304.438 0.984 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]43)c(F)c2)CC1 ZINC001236292129 769986733 /nfs/dbraw/zinc/98/67/33/769986733.db2.gz MQMUEMVTSYYBTH-WMLDXEAASA-N 2 0 304.413 0.981 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1OC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001218075009 774211079 /nfs/dbraw/zinc/21/10/79/774211079.db2.gz XWXALIWNNXMESA-MRXNPFEDSA-N 2 0 303.406 0.996 20 10 DCCDRP COc1cc(O)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1OC ZINC001222104322 775272436 /nfs/dbraw/zinc/27/24/36/775272436.db2.gz DZVHIYCTCCBSMK-UHFFFAOYSA-N 2 0 321.421 0.937 20 10 DCCDRP CN(C)c1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222507170 775372782 /nfs/dbraw/zinc/37/27/82/775372782.db2.gz OVIJNWWQVSELKP-HOTGVXAUSA-N 2 0 304.438 0.984 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC001254315167 946344987 /nfs/dbraw/zinc/34/49/87/946344987.db2.gz DTCBXZDFFUIXAB-HNNXBMFYSA-N 2 0 323.462 0.715 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCOCCCO)cc2)CC1 ZINC001327874138 948650407 /nfs/dbraw/zinc/65/04/07/948650407.db2.gz APURCMAQDWPTIK-UHFFFAOYSA-N 2 0 307.438 0.927 20 10 DCCDRP COCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001514582410 1016982042 /nfs/dbraw/zinc/98/20/42/1016982042.db2.gz SVAKFSNJYBGDNP-HOTGVXAUSA-N 2 0 322.453 0.835 20 10 DCCDRP CC[C@H]([NH3+])CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892143844 658221697 /nfs/dbraw/zinc/22/16/97/658221697.db2.gz GDLMNMPEENEVDH-HNNXBMFYSA-N 2 0 319.453 0.975 20 10 DCCDRP COCC[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000798505698 670007068 /nfs/dbraw/zinc/00/70/68/670007068.db2.gz UNNMKHLFGRDILU-MRXNPFEDSA-N 2 0 307.438 0.925 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000832267470 671712827 /nfs/dbraw/zinc/71/28/27/671712827.db2.gz STNUKUHOPGFFNB-LSDHHAIUSA-N 2 0 306.410 0.247 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH2+]CC12CC2 ZINC001234980841 769731839 /nfs/dbraw/zinc/73/18/39/769731839.db2.gz XPRXMIXNRDCISH-UHFFFAOYSA-N 2 0 302.422 0.740 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2C[NH2+][C@H]2C1 ZINC001235198283 769777576 /nfs/dbraw/zinc/77/75/76/769777576.db2.gz REBVPMOMJFNYDW-BBRMVZONSA-N 2 0 302.422 0.596 20 10 DCCDRP Oc1cc2c(cc1CN1CCO[C@H]3C[NH2+]CC[C@@H]31)C[NH2+]CCO2 ZINC001235239950 769786909 /nfs/dbraw/zinc/78/69/09/769786909.db2.gz MFSSYMJLRIWPLW-YOEHRIQHSA-N 2 0 319.405 0.437 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235262329 769793961 /nfs/dbraw/zinc/79/39/61/769793961.db2.gz QLCMRTYDBUPKIJ-HOCLYGCPSA-N 2 0 302.422 0.596 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@H]2[NH2+]C[C@H]21 ZINC001235303696 769800944 /nfs/dbraw/zinc/80/09/44/769800944.db2.gz YASNLUZOKOFQKN-HZPDHXFCSA-N 2 0 302.422 0.738 20 10 DCCDRP CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235346520 769819957 /nfs/dbraw/zinc/81/99/57/769819957.db2.gz HKWBPLXSPCREPD-INIZCTEOSA-N 2 0 304.438 0.986 20 10 DCCDRP COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCN1 ZINC001235448212 769847195 /nfs/dbraw/zinc/84/71/95/769847195.db2.gz YAEUSTXMSLSOSQ-INIZCTEOSA-N 2 0 318.421 0.043 20 10 DCCDRP CC1(C)CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[NH2+]1 ZINC001235837369 769951020 /nfs/dbraw/zinc/95/10/20/769951020.db2.gz FAZZAYRQTZCVTB-UHFFFAOYSA-N 2 0 304.438 0.986 20 10 DCCDRP COC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001210530417 773717816 /nfs/dbraw/zinc/71/78/16/773717816.db2.gz KLWQPXDNHJDROF-KRWDZBQOSA-N 2 0 304.438 0.516 20 10 DCCDRP [NH3+][C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC12COC2 ZINC001237176765 945121892 /nfs/dbraw/zinc/12/18/92/945121892.db2.gz TXDLBEZRLWGGAA-MRXNPFEDSA-N 2 0 302.422 0.256 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3COCC[C@H]3O)cc2)CC1 ZINC000865750027 667344420 /nfs/dbraw/zinc/34/44/20/667344420.db2.gz KSGOGSPBOHIIKP-IAGOWNOFSA-N 2 0 305.422 0.678 20 10 DCCDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000872256806 667882878 /nfs/dbraw/zinc/88/28/78/667882878.db2.gz YVUVWYROQJHOQH-GUTXKFCHSA-N 2 0 321.352 0.898 20 10 DCCDRP C[NH+](C)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000889666471 667981750 /nfs/dbraw/zinc/98/17/50/667981750.db2.gz MMUAIQWQZXZJTG-UHFFFAOYSA-N 2 0 319.453 0.799 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000832282062 671713033 /nfs/dbraw/zinc/71/30/33/671713033.db2.gz XUWWAHPEXSAOAZ-HIFRSBDPSA-N 2 0 306.410 0.247 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3[C@@H]4C[NH2+]C[C@H]34)cc2)CC1 ZINC001578536842 1165049963 /nfs/dbraw/zinc/04/99/63/1165049963.db2.gz IPNCFYJXQMUJEF-NNZMDNLPSA-N 3 0 300.450 0.993 20 10 DCCDRP CN(C)C(=O)C1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139409471 768472629 /nfs/dbraw/zinc/47/26/29/768472629.db2.gz LOFLRZXEPJKFEY-UHFFFAOYSA-N 2 0 316.449 0.958 20 10 DCCDRP COc1cc(O)c(CN2CCNC[C@]23CC[NH2+]C3)c(OC)c1 ZINC001234985890 769733216 /nfs/dbraw/zinc/73/32/16/769733216.db2.gz HATFYERHCGBPHB-MRXNPFEDSA-N 2 0 307.394 0.547 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235032584 769748003 /nfs/dbraw/zinc/74/80/03/769748003.db2.gz RMDOIRWTCNJCBW-GOEBONIOSA-N 3 0 302.422 0.596 20 10 DCCDRP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C1CC[NH2+]CC1 ZINC001235466681 769851906 /nfs/dbraw/zinc/85/19/06/769851906.db2.gz SKJRQBSMKDAIGO-UHFFFAOYSA-N 3 0 304.438 0.986 20 10 DCCDRP CCc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(O)c1 ZINC001235873382 769957589 /nfs/dbraw/zinc/95/75/89/769957589.db2.gz GSQOXCKEJKRXBO-UHFFFAOYSA-N 2 0 306.454 0.539 20 10 DCCDRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2cccc(O)c2C1 ZINC001160873273 772130390 /nfs/dbraw/zinc/13/03/90/772130390.db2.gz XJFFOESXKYMQCA-HNNXBMFYSA-N 2 0 318.421 0.027 20 10 DCCDRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001205725241 773014548 /nfs/dbraw/zinc/01/45/48/773014548.db2.gz FJRJRXGLKBJHGY-KRWDZBQOSA-N 3 0 321.421 0.550 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H](O)[C@H]([NH3+])C3)cc2)CC1 ZINC001206092328 773046883 /nfs/dbraw/zinc/04/68/83/773046883.db2.gz APKVWCHHPWUJHL-IAGOWNOFSA-N 2 0 304.438 0.332 20 10 DCCDRP COC[C@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001210531111 773718744 /nfs/dbraw/zinc/71/87/44/773718744.db2.gz ORTJIIKNDWIEGN-MRXNPFEDSA-N 2 0 320.437 0.222 20 10 DCCDRP Oc1cc2c(cc1O)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246879014 945512632 /nfs/dbraw/zinc/51/26/32/945512632.db2.gz UMWIRCWZHVDRDN-CQSZACIVSA-N 2 0 303.406 0.940 20 10 DCCDRP CN(C)c1ccc([C@H](CNC(=O)CNCC[NH3+])[NH+](C)C)cc1 ZINC001263260257 947827784 /nfs/dbraw/zinc/82/77/84/947827784.db2.gz WFPGQWZBFRFDQF-HNNXBMFYSA-N 2 0 307.442 0.020 20 10 DCCDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]21 ZINC001275913469 952520749 /nfs/dbraw/zinc/52/07/49/952520749.db2.gz NEQBEEIIUZDJQQ-WBVHZDCISA-N 2 0 323.412 0.978 20 10 DCCDRP COC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001343165362 953326608 /nfs/dbraw/zinc/32/66/08/953326608.db2.gz FWMBDBMRKPSMRB-GJZGRUSLSA-N 2 0 308.426 0.445 20 10 DCCDRP COc1ccc(N2CC[NH+](C[C@H](O)CN(C)CC[NH3+])CC2)cc1 ZINC000923377659 667520473 /nfs/dbraw/zinc/52/04/73/667520473.db2.gz AHIMJQRQUAQHBJ-MRXNPFEDSA-N 2 0 322.453 0.069 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCS(C)(=O)=O)cc2)CC1 ZINC000771817744 668753922 /nfs/dbraw/zinc/75/39/22/668753922.db2.gz DLMHSNFNTCAHTD-UHFFFAOYSA-N 2 0 311.451 0.573 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000832272281 671712900 /nfs/dbraw/zinc/71/29/00/671712900.db2.gz DPYBZPZWDYIXMZ-VXGBXAGGSA-N 2 0 300.353 0.851 20 10 DCCDRP COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843048171 672056058 /nfs/dbraw/zinc/05/60/58/672056058.db2.gz ROFLGIOUEJHJNX-LBPRGKRZSA-N 2 0 307.394 0.688 20 10 DCCDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236083005 769979377 /nfs/dbraw/zinc/97/93/77/769979377.db2.gz KMBSPIVRQMCPJK-UHFFFAOYSA-N 3 0 317.481 0.433 20 10 DCCDRP C[NH+](C)CCN1CC[N@H+](Cc2ccc(O)cc2O)CCC1=O ZINC001204279536 772944093 /nfs/dbraw/zinc/94/40/93/772944093.db2.gz AKBWCGFTDLSDPN-UHFFFAOYSA-N 2 0 307.394 0.694 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1C[NH2+][C@@H]2CCCO[C@@H]21 ZINC001218166429 774214944 /nfs/dbraw/zinc/21/49/44/774214944.db2.gz ITFHPILGEYUREM-IKGGRYGDSA-N 2 0 303.406 0.994 20 10 DCCDRP Oc1cc2c(cc1CN1CC[C@@H]3[NH2+]CCO[C@H]3C1)C[NH2+]CCO2 ZINC001222697141 775418858 /nfs/dbraw/zinc/41/88/58/775418858.db2.gz VXOPXZJIMUTUTA-YOEHRIQHSA-N 2 0 319.405 0.437 20 10 DCCDRP CN(C)c1ccc([C@H](CNC(=O)N(C)CC[NH3+])[NH+](C)C)cc1 ZINC001262601396 947737763 /nfs/dbraw/zinc/73/77/63/947737763.db2.gz CURNPNUZFICYMZ-HNNXBMFYSA-N 2 0 307.442 0.955 20 10 DCCDRP CC[NH2+]CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000891995198 658085890 /nfs/dbraw/zinc/08/58/90/658085890.db2.gz KAYJNANEEIMMNP-UHFFFAOYSA-N 2 0 319.453 0.847 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@]3(C)CO)cc2)CC1 ZINC000895329324 662169950 /nfs/dbraw/zinc/16/99/50/662169950.db2.gz IYXITQUJUIBMNI-ZWKOTPCHSA-N 2 0 319.449 0.756 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(CO)CCOC3)cc2)CC1 ZINC000757979321 668152787 /nfs/dbraw/zinc/15/27/87/668152787.db2.gz YFUDUMBDVJYMRS-KRWDZBQOSA-N 2 0 305.422 0.679 20 10 DCCDRP CN(C)c1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000818941419 671078723 /nfs/dbraw/zinc/07/87/23/671078723.db2.gz JLCNHZRDXYBCDQ-KRWDZBQOSA-N 2 0 306.454 0.451 20 10 DCCDRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000818997277 671084449 /nfs/dbraw/zinc/08/44/49/671084449.db2.gz WXFZOKHJXNNVHN-MRXNPFEDSA-N 2 0 305.422 0.319 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000832282453 671713055 /nfs/dbraw/zinc/71/30/55/671713055.db2.gz ZNSXQTBPHQQHRS-INIZCTEOSA-N 2 0 320.437 0.637 20 10 DCCDRP CN1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C[NH3+])C1 ZINC000843121317 672064126 /nfs/dbraw/zinc/06/41/26/672064126.db2.gz DBWOQFOVCVTSNM-GOSISDBHSA-N 2 0 317.481 0.513 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234977689 769730651 /nfs/dbraw/zinc/73/06/51/769730651.db2.gz APXTYUWRMFOAAL-GASCZTMLSA-N 3 0 302.422 0.453 20 10 DCCDRP CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235346521 769820661 /nfs/dbraw/zinc/82/06/61/769820661.db2.gz HKWBPLXSPCREPD-MRXNPFEDSA-N 2 0 304.438 0.986 20 10 DCCDRP Oc1ccc(F)c(F)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870947 769954845 /nfs/dbraw/zinc/95/48/45/769954845.db2.gz NKVKQXVJMCRORX-UHFFFAOYSA-N 2 0 314.380 0.255 20 10 DCCDRP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205331490 772987735 /nfs/dbraw/zinc/98/77/35/772987735.db2.gz GRFXKOASYFORRF-AWEZNQCLSA-N 3 0 304.438 0.986 20 10 DCCDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516826 944196416 /nfs/dbraw/zinc/19/64/16/944196416.db2.gz RBNGRPYWFXYEFT-OCCSQVGLSA-N 2 0 321.421 0.871 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C3([NH3+])CCC3)cc2)CC1 ZINC001331420918 951113549 /nfs/dbraw/zinc/11/35/49/951113549.db2.gz XSDGOUJKWQTMKH-UHFFFAOYSA-N 2 0 302.422 0.936 20 10 DCCDRP CN1CCN(c2ccc(C[N@H+](C)CCOCC[NH3+])cc2F)CC1 ZINC001331846882 951359433 /nfs/dbraw/zinc/35/94/33/951359433.db2.gz JINWQWDMXLVFSQ-UHFFFAOYSA-N 2 0 324.444 0.985 20 10 DCCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CC[NH3+])CC2)cc1 ZINC000269314284 415248624 /nfs/dbraw/zinc/24/86/24/415248624.db2.gz YMTGRWIWLYWAQD-UHFFFAOYSA-N 2 0 320.437 0.672 20 10 DCCDRP C[C@H](C[NH3+])CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892045216 658135247 /nfs/dbraw/zinc/13/52/47/658135247.db2.gz RKDCLRKBNNEUQT-CQSZACIVSA-N 2 0 319.453 0.832 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCC(=O)NC(N)=O)cc2)CC1 ZINC000905429364 663556667 /nfs/dbraw/zinc/55/66/67/663556667.db2.gz ZYNCVGZLOIZDMD-UHFFFAOYSA-N 2 0 319.409 0.113 20 10 DCCDRP COC[C@@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771835121 668755635 /nfs/dbraw/zinc/75/56/35/668755635.db2.gz GVMSYYBBKFXYTC-KRWDZBQOSA-N 2 0 307.438 0.925 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3CO)cc2)CC1 ZINC000776010845 668870287 /nfs/dbraw/zinc/87/02/87/668870287.db2.gz WIIAYFJCHDPBTE-IRXDYDNUSA-N 2 0 305.422 0.366 20 10 DCCDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819076425 671091841 /nfs/dbraw/zinc/09/18/41/671091841.db2.gz BRQFXSNRARARAS-GOSISDBHSA-N 2 0 320.481 0.759 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN3CCO[C@H](C[NH3+])C3)cc2)CC1 ZINC000843065098 672057907 /nfs/dbraw/zinc/05/79/07/672057907.db2.gz IXKNEGMWUQZCTR-QGZVFWFLSA-N 2 0 304.438 0.598 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](CO)[C@H](O)C3)cc2)CC1 ZINC001139409254 768472589 /nfs/dbraw/zinc/47/25/89/768472589.db2.gz XYRHJRHWCPBBHX-FUHWJXTLSA-N 2 0 319.449 0.614 20 10 DCCDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)C[C@@H](O)CO)cc2)CC1 ZINC001140304204 768524464 /nfs/dbraw/zinc/52/44/64/768524464.db2.gz ZWUSXJRVEZALHC-QGZVFWFLSA-N 2 0 307.438 0.614 20 10 DCCDRP Oc1cc2c(cc1C[N@@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)C[NH2+]CCO2 ZINC001235935699 769963037 /nfs/dbraw/zinc/96/30/37/769963037.db2.gz DZAGFALLEFTYHD-SWLSCSKDSA-N 3 0 303.406 0.916 20 10 DCCDRP CCN(Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CC[NH2+]C1 ZINC001235969290 769965523 /nfs/dbraw/zinc/96/55/23/769965523.db2.gz BCFKHFHMYRTLNN-MRXNPFEDSA-N 2 0 304.438 0.986 20 10 DCCDRP Cc1ccc(O)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236310855 769993138 /nfs/dbraw/zinc/99/31/38/769993138.db2.gz MNGWOTWWMVLRIL-UHFFFAOYSA-N 2 0 308.426 0.316 20 10 DCCDRP CC[NH+]1CCN(c2ccc(CN3CC[C@@H](O)[C@H]([NH3+])C3)cc2)CC1 ZINC001206092808 773047050 /nfs/dbraw/zinc/04/70/50/773047050.db2.gz ZGXPYKWEYNQGID-QZTJIDSGSA-N 2 0 318.465 0.722 20 10 DCCDRP [NH3+][C@H](CC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)c1ccccc1O ZINC001219848608 774627248 /nfs/dbraw/zinc/62/72/48/774627248.db2.gz ZQLZCKZKMCKIJM-LMOYCYGVSA-N 2 0 305.378 0.418 20 10 DCCDRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001221190659 775022250 /nfs/dbraw/zinc/02/22/50/775022250.db2.gz XIZCASIJLXJOKL-NEPJUHHUSA-N 2 0 309.366 0.179 20 10 DCCDRP [NH3+][C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC12COC2 ZINC001237176764 945122940 /nfs/dbraw/zinc/12/29/40/945122940.db2.gz TXDLBEZRLWGGAA-INIZCTEOSA-N 2 0 302.422 0.256 20 10 DCCDRP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[NH+](C)C)cc1 ZINC001263260227 947827767 /nfs/dbraw/zinc/82/77/67/947827767.db2.gz VEYPQAKHODGHOM-TWMKSMIVSA-N 2 0 316.449 0.937 20 10 DCCDRP CO[C@H](C[NH3+])CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001341624449 953241334 /nfs/dbraw/zinc/24/13/34/953241334.db2.gz ZWAGGNPTQGYLHB-HOTGVXAUSA-N 2 0 322.453 0.835 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000911667318 664097223 /nfs/dbraw/zinc/09/72/23/664097223.db2.gz PVPSBICBPCBVSP-QKPAOTATSA-N 2 0 302.422 0.724 20 10 DCCDRP C[NH2+]CCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000863646844 667165878 /nfs/dbraw/zinc/16/58/78/667165878.db2.gz FVMPSWSZWZQHJH-UHFFFAOYSA-N 2 0 313.354 0.977 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000775637252 668866047 /nfs/dbraw/zinc/86/60/47/668866047.db2.gz MMHUEMFIPGFKHK-OAHLLOKOSA-N 2 0 302.422 0.746 20 10 DCCDRP COc1ccc(N(C)CC[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000846225746 672302453 /nfs/dbraw/zinc/30/24/53/672302453.db2.gz TUXUWWVYVVDMFP-UHFFFAOYSA-N 2 0 306.454 0.968 20 10 DCCDRP O=C(C[NH2+]Cc1ccc(N2CCOCC2)cc1)N1CC[NH2+]CC1 ZINC001580557019 1165638536 /nfs/dbraw/zinc/63/85/36/1165638536.db2.gz WHVABXBGKWIYKE-UHFFFAOYSA-N 2 0 318.421 0.045 20 10 DCCDRP COc1cc(CN2CCNC(=O)CC2)cc(C[NH+](C)C)c1O ZINC001139253119 768463410 /nfs/dbraw/zinc/46/34/10/768463410.db2.gz MOCOAGVPVSBHGB-UHFFFAOYSA-N 2 0 307.394 0.784 20 10 DCCDRP C[NH+](C)CCN1CC[N@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141161175 768570079 /nfs/dbraw/zinc/57/00/79/768570079.db2.gz NXPSIVYWPOSDFQ-UHFFFAOYSA-N 2 0 307.394 0.694 20 10 DCCDRP OC[C@@]12C[NH2+]C[C@@H]1CN(Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235003463 769740289 /nfs/dbraw/zinc/74/02/89/769740289.db2.gz YLTRFFQKOBTPEC-AEFFLSMTSA-N 2 0 316.449 0.110 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235264663 769792737 /nfs/dbraw/zinc/79/27/37/769792737.db2.gz ADEVEWFKSLHKDT-RHSMWYFYSA-N 3 0 316.449 0.986 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235262327 769793925 /nfs/dbraw/zinc/79/39/25/769793925.db2.gz QLCMRTYDBUPKIJ-GOEBONIOSA-N 2 0 302.422 0.596 20 10 DCCDRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001235676503 769930187 /nfs/dbraw/zinc/93/01/87/769930187.db2.gz RPQGLQICXLFSLT-CQSZACIVSA-N 3 0 304.438 0.973 20 10 DCCDRP COc1ccc(Br)c(CN(CC[NH3+])CC[NH3+])c1O ZINC001235876753 769958694 /nfs/dbraw/zinc/95/86/94/769958694.db2.gz BSMOLRFIBNTYGE-UHFFFAOYSA-N 2 0 318.215 0.883 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC(N2CC[NH2+]CC2)C1 ZINC001236160488 769980682 /nfs/dbraw/zinc/98/06/82/769980682.db2.gz OSXCCLPMRIZQHS-UHFFFAOYSA-N 2 0 315.465 0.186 20 10 DCCDRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924145 772138760 /nfs/dbraw/zinc/13/87/60/772138760.db2.gz DNDMXEDCSQHUDY-ZDUSSCGKSA-N 2 0 317.389 0.182 20 10 DCCDRP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205255864 772985321 /nfs/dbraw/zinc/98/53/21/772985321.db2.gz MGHTZUOPORXBOP-QGZVFWFLSA-N 2 0 322.405 0.783 20 10 DCCDRP COC[C@H](CCO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001200655690 774392547 /nfs/dbraw/zinc/39/25/47/774392547.db2.gz ZKIILTWQZFPBFX-INIZCTEOSA-N 2 0 307.438 0.925 20 10 DCCDRP COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000315902392 774904524 /nfs/dbraw/zinc/90/45/24/774904524.db2.gz MOTWMMOYNWEDFP-LBPRGKRZSA-N 2 0 307.394 0.688 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222696760 775418468 /nfs/dbraw/zinc/41/84/68/775418468.db2.gz ITGWGLNWIQISJW-ROUUACIJSA-N 2 0 316.449 0.659 20 10 DCCDRP C[NH+](C)CCN1CCC2(C[NH+](Cc3c(O)cc(O)cc3O)C2)C1 ZINC001275112538 951959329 /nfs/dbraw/zinc/95/93/29/951959329.db2.gz JBFFJWQOQNMPRA-UHFFFAOYSA-N 2 0 321.421 0.873 20 10 DCCDRP CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC001341513433 953234806 /nfs/dbraw/zinc/23/48/06/953234806.db2.gz RXXPKJMURKVBTI-JKSUJKDBSA-N 2 0 320.437 0.460 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C)C[NH2+]CCO2)cc1 ZINC000876506430 668457965 /nfs/dbraw/zinc/45/79/65/668457965.db2.gz KECHWFDQSPXKPF-HOCLYGCPSA-N 2 0 306.410 0.247 20 10 DCCDRP COc1cc(O)c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000843123346 672065173 /nfs/dbraw/zinc/06/51/73/672065173.db2.gz QHMGKRLEXSYQSL-CQSZACIVSA-N 2 0 321.421 0.889 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC2(C1)CCC[NH2+]2 ZINC001235201105 769779031 /nfs/dbraw/zinc/77/90/31/769779031.db2.gz BDZVLTCMBSMELD-UHFFFAOYSA-N 2 0 302.422 0.740 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN(CC[NH3+])CC[NH3+])c(F)c2)CC1 ZINC001235881028 769958644 /nfs/dbraw/zinc/95/86/44/769958644.db2.gz SYNXQAJTPPZKNW-UHFFFAOYSA-N 2 0 309.433 0.297 20 10 DCCDRP [NH3+][C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H]1F ZINC001235910607 769960200 /nfs/dbraw/zinc/96/02/00/769960200.db2.gz XLOOIWODJUNYKH-LSDHHAIUSA-N 3 0 308.401 0.673 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CNC(=O)C3)cc2)CC1 ZINC001178954876 770912969 /nfs/dbraw/zinc/91/29/69/770912969.db2.gz VDFJPPBOJJEVQK-OAHLLOKOSA-N 2 0 302.422 0.664 20 10 DCCDRP COC(=O)[C@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001222413901 775345357 /nfs/dbraw/zinc/34/53/57/775345357.db2.gz FPFQOXTUZXZTNB-MRXNPFEDSA-N 2 0 318.421 0.043 20 10 DCCDRP [NH3+][C@@H]1CN(Cc2cc3c(cc2O)OCC[NH2+]C3)CC12COC2 ZINC001237174912 945121987 /nfs/dbraw/zinc/12/19/87/945121987.db2.gz FSQGFJPVUSUFDH-OAHLLOKOSA-N 2 0 305.378 0.034 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC001335622271 952569024 /nfs/dbraw/zinc/56/90/24/952569024.db2.gz KXKSEOXJFGHAQB-UHFFFAOYSA-N 2 0 317.437 0.729 20 10 DCCDRP C[NH+]1CCN(c2ccc(CN[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000925764479 660817495 /nfs/dbraw/zinc/81/74/95/660817495.db2.gz ZNQJJAXGTBHFDX-MRXNPFEDSA-N 2 0 304.438 0.516 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]([NH3+])[C@H]3C[C@H]32)cc1 ZINC000911665831 664096669 /nfs/dbraw/zinc/09/66/69/664096669.db2.gz FIOLXRNAVZMRRI-DGADGQDISA-N 2 0 302.422 0.852 20 10 DCCDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@H]1C[NH+](C)C ZINC000870019905 667699042 /nfs/dbraw/zinc/69/90/42/667699042.db2.gz VLDPEMGJXDQPTB-CHWSQXEVSA-N 2 0 321.421 0.909 20 10 DCCDRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267405 671712637 /nfs/dbraw/zinc/71/26/37/671712637.db2.gz RQESNZDYIHSRQD-KBPBESRZSA-N 2 0 322.409 0.149 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@H](O)C3)cc2)CC1 ZINC001139409060 756426536 /nfs/dbraw/zinc/42/65/36/756426536.db2.gz TZCLPWFCOKWNRL-QGZVFWFLSA-N 2 0 305.422 0.632 20 10 DCCDRP C[NH2+]C[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001119316296 766632704 /nfs/dbraw/zinc/63/27/04/766632704.db2.gz IKEANPVORCTXRR-AWEZNQCLSA-N 2 0 304.438 0.910 20 10 DCCDRP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC001122328679 767771081 /nfs/dbraw/zinc/77/10/81/767771081.db2.gz RXXPKJMURKVBTI-HOTGVXAUSA-N 2 0 320.437 0.460 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234985912 769732873 /nfs/dbraw/zinc/73/28/73/769732873.db2.gz HFYQLEJRMHPLKZ-GOSISDBHSA-N 3 0 315.465 0.234 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235198103 769777369 /nfs/dbraw/zinc/77/73/69/769777369.db2.gz NMHVFWAIKGXKHW-GDBMZVCRSA-N 3 0 316.449 0.843 20 10 DCCDRP C[C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[NH2+]1 ZINC001210499708 773715034 /nfs/dbraw/zinc/71/50/34/773715034.db2.gz WBRZAIMSVSKCKH-CQSZACIVSA-N 2 0 304.438 0.986 20 10 DCCDRP COCC[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001262044474 947539591 /nfs/dbraw/zinc/53/95/91/947539591.db2.gz JJQMLKHSGCXHNS-INIZCTEOSA-N 2 0 320.437 0.418 20 10 DCCDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3c(O)cc(O)cc3O)[C@@H]2C1 ZINC001275112456 951959903 /nfs/dbraw/zinc/95/99/03/951959903.db2.gz FDGHBUBVFXABMI-SWLSCSKDSA-N 2 0 321.421 0.871 20 10 DCCDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]21 ZINC001275913467 952520169 /nfs/dbraw/zinc/52/01/69/952520169.db2.gz NEQBEEIIUZDJQQ-RDJZCZTQSA-N 2 0 323.412 0.978 20 10 DCCDRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001339845921 953123300 /nfs/dbraw/zinc/12/33/00/953123300.db2.gz SKROFUCGYROFLK-GLQYFDAESA-N 2 0 308.426 0.085 20 10 DCCDRP CO[C@@H](C[NH3+])CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001341624450 953241075 /nfs/dbraw/zinc/24/10/75/953241075.db2.gz ZWAGGNPTQGYLHB-HZPDHXFCSA-N 2 0 322.453 0.835 20 10 DCCDRP CSCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267106 671712760 /nfs/dbraw/zinc/71/27/60/671712760.db2.gz NFVQNWDLGQHCQZ-KGLIPLIRSA-N 2 0 310.467 0.949 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CNCCO3)cc2)CC1 ZINC000841099423 671912049 /nfs/dbraw/zinc/91/20/49/671912049.db2.gz PSFUTIUMKQZPAH-KRWDZBQOSA-N 2 0 304.438 0.516 20 10 DCCDRP C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000843056901 672057160 /nfs/dbraw/zinc/05/71/60/672057160.db2.gz BPGCSGHCEIJYGW-YJBOKZPZSA-N 2 0 318.465 0.986 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000843299233 672080316 /nfs/dbraw/zinc/08/03/16/672080316.db2.gz UMTFHRALMFHYFG-AWEZNQCLSA-N 2 0 306.410 0.247 20 10 DCCDRP COc1cc(CN2CCN(CC[NH+](C)C)C(=O)C2)c(O)cc1C ZINC000844714262 672196428 /nfs/dbraw/zinc/19/64/28/672196428.db2.gz KPWYYGOIKHXYFD-UHFFFAOYSA-N 2 0 321.421 0.915 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H](F)C3C[NH2+]C3)cc2)CC1 ZINC001578536371 1165050670 /nfs/dbraw/zinc/05/06/70/1165050670.db2.gz NWBJUBPJVUMSBZ-INIZCTEOSA-N 2 0 320.412 0.612 20 10 DCCDRP [NH3+]CC12CC(C1)CN2Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235005835 769740862 /nfs/dbraw/zinc/74/08/62/769740862.db2.gz HBXRPDFDFVAWEN-UHFFFAOYSA-N 2 0 302.422 0.725 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713783 769936932 /nfs/dbraw/zinc/93/69/32/769936932.db2.gz PTBRSANPIZWKNZ-UHFFFAOYSA-N 3 0 316.449 0.987 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN(C1CC1)C1C[NH2+]C1 ZINC001236064948 769978450 /nfs/dbraw/zinc/97/84/50/769978450.db2.gz WDMFDFIVQKLFHJ-UHFFFAOYSA-N 2 0 302.422 0.738 20 10 DCCDRP COCCN(Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CC[NH2+]C1 ZINC001236333972 769996015 /nfs/dbraw/zinc/99/60/15/769996015.db2.gz GDENIQJSBLUQBD-OAHLLOKOSA-N 2 0 321.421 0.685 20 10 DCCDRP C[NH2+]C[C@H]1CCCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236421810 770010086 /nfs/dbraw/zinc/01/00/86/770010086.db2.gz OWNLICVWMWRTMU-MRXNPFEDSA-N 2 0 304.438 0.986 20 10 DCCDRP CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161135510 772173048 /nfs/dbraw/zinc/17/30/48/772173048.db2.gz XRBFQDMSYKRSHE-MRXNPFEDSA-N 2 0 316.449 0.910 20 10 DCCDRP COc1ccc(O)c(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c1 ZINC000862464876 667045658 /nfs/dbraw/zinc/04/56/58/667045658.db2.gz KYTLDJSPBFVUOR-AWEZNQCLSA-N 2 0 307.394 0.830 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3COCCN3)cc2)CC1 ZINC000863482589 667148038 /nfs/dbraw/zinc/14/80/38/667148038.db2.gz FPOPHGBFDAQXDO-INIZCTEOSA-N 2 0 304.438 0.516 20 10 DCCDRP CO[C@](C)(CO)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000848559864 670696879 /nfs/dbraw/zinc/69/68/79/670696879.db2.gz HWNCKLPADHZAKD-KRWDZBQOSA-N 2 0 307.438 0.925 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000832267467 671712812 /nfs/dbraw/zinc/71/28/12/671712812.db2.gz STNUKUHOPGFFNB-CABCVRRESA-N 2 0 306.410 0.247 20 10 DCCDRP COc1cc(O)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000843123345 672065203 /nfs/dbraw/zinc/06/52/03/672065203.db2.gz QHMGKRLEXSYQSL-AWEZNQCLSA-N 2 0 321.421 0.889 20 10 DCCDRP COc1cc(CN2CC[C@H](O)[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254304 768463211 /nfs/dbraw/zinc/46/32/11/768463211.db2.gz GDQSTRZZTZPEGP-CABCVRRESA-N 2 0 324.421 0.638 20 10 DCCDRP COc1cc(CN2C[C@H](O)[C@@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206519601 773083788 /nfs/dbraw/zinc/08/37/88/773083788.db2.gz NPHYZOWPKKYFST-KBPBESRZSA-N 2 0 309.410 0.214 20 10 DCCDRP c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1CC[C@@H]2[NH2+]CCO[C@H]21 ZINC001218151151 774214047 /nfs/dbraw/zinc/21/40/47/774214047.db2.gz VSVMOGDBKIQXLH-YESZJQIVSA-N 2 0 303.406 0.994 20 10 DCCDRP [NH3+][C@H](CC(=O)Nc1cnn(C2C[NH2+]C2)c1)c1ccccc1O ZINC001218640271 774270509 /nfs/dbraw/zinc/27/05/09/774270509.db2.gz GYQZJDRTEOEWJW-CYBMUJFWSA-N 2 0 301.350 0.762 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620258 775397961 /nfs/dbraw/zinc/39/79/61/775397961.db2.gz JODQFCVBLQDKHP-WMLDXEAASA-N 3 0 316.449 0.986 20 10 DCCDRP CCCOC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001245987075 945308226 /nfs/dbraw/zinc/30/82/26/945308226.db2.gz IQYNZMOKLUDMIZ-KRWDZBQOSA-N 2 0 307.438 0.973 20 10 DCCDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC001275267786 952038734 /nfs/dbraw/zinc/03/87/34/952038734.db2.gz WVUGSCLTVPTNBO-RDJZCZTQSA-N 2 0 305.422 0.839 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001341242883 953218680 /nfs/dbraw/zinc/21/86/80/953218680.db2.gz DMNVKZYSZZNSKD-HNNXBMFYSA-N 2 0 302.422 0.964 20 10 DCCDRP CN(C)c1ccc([C@@H](CNC(=O)C[C@@H](O)C[NH3+])[NH+](C)C)cc1 ZINC001342295098 953282232 /nfs/dbraw/zinc/28/22/32/953282232.db2.gz ZOKXJELTSFWJHS-HUUCEWRRSA-N 2 0 308.426 0.181 20 10 DCCDRP COC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001343165368 953326236 /nfs/dbraw/zinc/32/62/36/953326236.db2.gz FWMBDBMRKPSMRB-LSDHHAIUSA-N 2 0 308.426 0.445 20 10 DCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)[C@H]3CCOC3)cc2)CC1 ZINC001461392335 1013021265 /nfs/dbraw/zinc/02/12/65/1013021265.db2.gz LMCNMDCGGMAZEQ-FUHWJXTLSA-N 2 0 319.449 0.925 20 10 DCCDRP C[NH+]1CCN(CCC[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000237207179 395906611 /nfs/dbraw/zinc/90/66/11/395906611.db2.gz HUKAMZSPMMIFIG-UHFFFAOYSA-N 2 0 307.394 0.848 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876506753 668457838 /nfs/dbraw/zinc/45/78/38/668457838.db2.gz OEOMTGMPUXYKBW-CFVMTHIKSA-N 2 0 308.401 0.816 20 10 DCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000846663379 672334615 /nfs/dbraw/zinc/33/46/15/672334615.db2.gz GZUHAWQCCSJRQI-GJZGRUSLSA-N 2 0 307.442 0.148 20 10 DCCDRP COCC[C@H]([NH3+])CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001579002354 1165185001 /nfs/dbraw/zinc/18/50/01/1165185001.db2.gz AMXYNEUBUGMNOK-INIZCTEOSA-N 2 0 306.454 0.892 20 10 DCCDRP COc1cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139256349 768464664 /nfs/dbraw/zinc/46/46/64/768464664.db2.gz ZHTQDESFIUSXHM-ZIAGYGMSSA-N 2 0 310.394 0.247 20 10 DCCDRP [NH3+]CCN(CCO)c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001163835905 772580053 /nfs/dbraw/zinc/58/00/53/772580053.db2.gz IBXPISHMCLASHV-UHFFFAOYSA-N 3 0 306.454 0.615 20 10 DCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC2(C1)CC[NH2+]C2 ZINC001222379870 775338839 /nfs/dbraw/zinc/33/88/39/775338839.db2.gz LZQHCQUDMKCULZ-UHFFFAOYSA-N 2 0 302.422 0.597 20 10 DCCDRP Oc1cc2c(cc1O)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246879013 945512756 /nfs/dbraw/zinc/51/27/56/945512756.db2.gz UMWIRCWZHVDRDN-AWEZNQCLSA-N 2 0 303.406 0.940 20 10 DCCDRP C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892940201 659525435 /nfs/dbraw/zinc/52/54/35/659525435.db2.gz SUORAZUWSPGVKG-AWEZNQCLSA-N 2 0 319.453 0.927 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000911667320 664097148 /nfs/dbraw/zinc/09/71/48/664097148.db2.gz PVPSBICBPCBVSP-QXSJWSMHSA-N 2 0 302.422 0.724 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000911667769 664097233 /nfs/dbraw/zinc/09/72/33/664097233.db2.gz SGHQRVCCECWEOV-WBVHZDCISA-N 2 0 320.437 0.373 20 10 DCCDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000872256807 667883160 /nfs/dbraw/zinc/88/31/60/667883160.db2.gz YVUVWYROQJHOQH-NFAWXSAZSA-N 2 0 321.352 0.898 20 10 DCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876506755 668458074 /nfs/dbraw/zinc/45/80/74/668458074.db2.gz OEOMTGMPUXYKBW-NWANDNLSSA-N 2 0 308.401 0.816 20 10 DCCDRP COCC[N@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775679261 668866396 /nfs/dbraw/zinc/86/63/96/668866396.db2.gz STPDKRMEHIVWAM-UHFFFAOYSA-N 2 0 307.438 0.879 20 10 DCCDRP COCC[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000798505697 670007524 /nfs/dbraw/zinc/00/75/24/670007524.db2.gz UNNMKHLFGRDILU-INIZCTEOSA-N 2 0 307.438 0.925 20 10 DCCDRP C[N@H+](CCOCCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800545381 670094091 /nfs/dbraw/zinc/09/40/91/670094091.db2.gz PLNRXIDIPHEFCI-UHFFFAOYSA-N 2 0 307.438 0.879 20 10 DCCDRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267107 671712786 /nfs/dbraw/zinc/71/27/86/671712786.db2.gz NFVQNWDLGQHCQZ-UONOGXRCSA-N 2 0 310.467 0.949 20 10 DCCDRP COC[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC[NH2+]C1 ZINC000841847131 671959432 /nfs/dbraw/zinc/95/94/32/671959432.db2.gz ZZVVNZYGGFTNFX-NVXWUHKLSA-N 2 0 320.437 0.495 20 10 DCCDRP Cc1cc(N(C)C)ccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000843045368 672055876 /nfs/dbraw/zinc/05/58/76/672055876.db2.gz VTLIDEOMWUQTSP-UHFFFAOYSA-N 2 0 304.438 0.925 20 10 DCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H](F)C3C[NH2+]C3)cc2)CC1 ZINC001578536372 1165051044 /nfs/dbraw/zinc/05/10/44/1165051044.db2.gz NWBJUBPJVUMSBZ-MRXNPFEDSA-N 2 0 320.412 0.612 20 10 DCCDRP