smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN(CCC[NH+](C)C)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088277513 185244610 /nfs/dbraw/zinc/24/46/10/185244610.db2.gz YKGQZEJBNBJXJA-HNNXBMFYSA-N 2 0 301.475 1.424 10 0 DDAERP CN(C)c1ccncc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000185186666 539245789 /nfs/dbraw/zinc/24/57/89/539245789.db2.gz WWPNZTHYFFKZEZ-UHFFFAOYSA-N 3 0 305.470 1.265 10 0 DDAERP CC[NH+](CC)CCS[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000088736437 185263703 /nfs/dbraw/zinc/26/37/03/185263703.db2.gz VNXFFKLPSJUQLH-KBPBESRZSA-N 2 0 302.484 1.945 10 0 DDAERP COCC[NH2+]Cc1sc(N(C)C[C@H]2CCC[N@@H+]2C)nc1C ZINC000092677789 185333544 /nfs/dbraw/zinc/33/35/44/185333544.db2.gz WFLNJSAXWSRGAO-CYBMUJFWSA-N 2 0 312.483 1.718 10 0 DDAERP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000092954297 185350425 /nfs/dbraw/zinc/35/04/25/185350425.db2.gz QPPZGEMQHRRPHB-HIFRSBDPSA-N 2 0 307.463 1.780 10 0 DDAERP CC(C)(C)OC(=O)Nc1ccc([C@@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000616635272 362764633 /nfs/dbraw/zinc/76/46/33/362764633.db2.gz BMSYELHTOACFEM-HNNXBMFYSA-N 2 0 320.437 1.939 10 0 DDAERP C[C@H](C(=O)N1CCCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000237449149 186290912 /nfs/dbraw/zinc/29/09/12/186290912.db2.gz IIHZDMUFTDIKGF-PBHICJAKSA-N 2 0 301.434 1.773 10 0 DDAERP C[C@]1(C[NH2+]Cc2cc(Br)cs2)COC[C@@H]1[NH3+] ZINC000085396749 192499688 /nfs/dbraw/zinc/49/96/88/192499688.db2.gz DJEUNJRWDBJRTJ-QWRGUYRKSA-N 2 0 305.241 1.964 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)c(C)o1 ZINC000088969290 192672663 /nfs/dbraw/zinc/67/26/63/192672663.db2.gz UDCZBPODOJUMNF-UHFFFAOYSA-N 2 0 315.439 1.022 10 0 DDAERP CCC[NH2+]CCCCS(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091450494 193057614 /nfs/dbraw/zinc/05/76/14/193057614.db2.gz HEEGELSBPILSLK-AWEZNQCLSA-N 2 0 305.488 1.122 10 0 DDAERP NC1=[NH+]CC2(CC[NH2+]CC2)N1c1ccc(Br)cc1 ZINC000093386750 193242333 /nfs/dbraw/zinc/24/23/33/193242333.db2.gz RQBYKHOWJVMTJA-UHFFFAOYSA-N 2 0 309.211 1.916 10 0 DDAERP CC[N@@H+](Cc1cc(=O)n2ccsc2n1)CC1CC[NH2+]CC1 ZINC000094025172 193339666 /nfs/dbraw/zinc/33/96/66/193339666.db2.gz GXHAYYNEPDSANN-UHFFFAOYSA-N 2 0 306.435 1.578 10 0 DDAERP COCCC[N@H+](CCOC)[C@@H]1CC[C@](CO)([NH2+]C(C)C)C1 ZINC000093856802 193319338 /nfs/dbraw/zinc/31/93/38/193319338.db2.gz KZMOZAMNSBVLKH-CVEARBPZSA-N 2 0 302.459 1.253 10 0 DDAERP CCC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000094011846 193338829 /nfs/dbraw/zinc/33/88/29/193338829.db2.gz DKWMIHMIKRGSSM-GJZGRUSLSA-N 2 0 302.484 1.664 10 0 DDAERP CC1(C)CSC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000094490236 193373149 /nfs/dbraw/zinc/37/31/49/193373149.db2.gz NSHLWSNFWPVXOJ-UONOGXRCSA-N 2 0 311.495 1.414 10 0 DDAERP C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H](C[NH3+])C1 ZINC000333728629 249084442 /nfs/dbraw/zinc/08/44/42/249084442.db2.gz HMOVFOSSKPUVSW-VNQPRFMTSA-N 2 0 308.470 1.772 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000041681979 183216702 /nfs/dbraw/zinc/21/67/02/183216702.db2.gz ALCJHNYAXPRTCU-SNVBAGLBSA-N 2 0 305.469 1.215 10 0 DDAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](C)CC1CCOCC1 ZINC000111170022 194398658 /nfs/dbraw/zinc/39/86/58/194398658.db2.gz KWSWHUNUWQUPOQ-MRXNPFEDSA-N 2 0 300.443 1.796 10 0 DDAERP Cc1cc([C@H](C[NH3+])N2CCN(CC[NH+](C)C)CC2)c(C)s1 ZINC000061643157 184180321 /nfs/dbraw/zinc/18/03/21/184180321.db2.gz KWMPYOOCCNBJCP-INIZCTEOSA-N 2 0 310.511 1.544 10 0 DDAERP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000638300964 422813467 /nfs/dbraw/zinc/81/34/67/422813467.db2.gz IIENKJFEBNQKNK-UWWQBHOKSA-N 2 0 319.449 1.390 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000123442312 407329221 /nfs/dbraw/zinc/32/92/21/407329221.db2.gz PTEGKTKFSUSESM-ZBFHGGJFSA-N 2 0 310.486 1.746 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000152421462 407634079 /nfs/dbraw/zinc/63/40/79/407634079.db2.gz SQULVPHWGZEBMT-CVEARBPZSA-N 2 0 310.486 1.842 10 0 DDAERP CC[N@H+](C)[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116784974 407777230 /nfs/dbraw/zinc/77/72/30/407777230.db2.gz DYXITTRSCWGIEQ-SJORKVTESA-N 2 0 319.449 1.468 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262357316 407809434 /nfs/dbraw/zinc/80/94/34/407809434.db2.gz VDQODQABHPKMBK-GMZPSASASA-N 2 0 305.466 1.835 10 0 DDAERP CC[C@@H]1CN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1CCOC ZINC000262729017 407909894 /nfs/dbraw/zinc/90/98/94/407909894.db2.gz BGTXMWRJMGORIJ-BFYDXBDKSA-N 2 0 311.470 1.463 10 0 DDAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175742189 408192088 /nfs/dbraw/zinc/19/20/88/408192088.db2.gz HRIROBZTJPMMPP-HZPDHXFCSA-N 2 0 309.454 1.086 10 0 DDAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H]3C=CCCC3)CC2)C1 ZINC000246263079 408197886 /nfs/dbraw/zinc/19/78/86/408197886.db2.gz OVOCKYIMYVNKMM-MSOLQXFVSA-N 2 0 307.482 1.822 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000247336996 408455536 /nfs/dbraw/zinc/45/55/36/408455536.db2.gz NGSVKPKYOROZMK-UGUYLWEFSA-N 2 0 310.486 1.887 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000247560277 408493123 /nfs/dbraw/zinc/49/31/23/408493123.db2.gz ZYWUQOQPSLPDCQ-BBRMVZONSA-N 2 0 306.454 1.491 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000247440254 408469574 /nfs/dbraw/zinc/46/95/74/408469574.db2.gz RYFUEWKUAXYIKV-CTASWTNQSA-N 2 0 308.470 1.640 10 0 DDAERP CCC[C@H](C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)[NH+](C)C ZINC000162017276 408660329 /nfs/dbraw/zinc/66/03/29/408660329.db2.gz VDTZQPCQPACXQL-OAHLLOKOSA-N 2 0 320.437 1.469 10 0 DDAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)C1(C)C ZINC000249098180 408687357 /nfs/dbraw/zinc/68/73/57/408687357.db2.gz JATJXXYSYVQCRT-VBQJREDUSA-N 2 0 311.470 1.462 10 0 DDAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1ccco1 ZINC000178328019 408805679 /nfs/dbraw/zinc/80/56/79/408805679.db2.gz PQENNKBILUNHRO-HOTGVXAUSA-N 2 0 319.405 1.827 10 0 DDAERP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836198 423148357 /nfs/dbraw/zinc/14/83/57/423148357.db2.gz RLRTVBBBCHJRLB-UAGQMJEPSA-N 2 0 303.450 1.998 10 0 DDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648814 422532692 /nfs/dbraw/zinc/53/26/92/422532692.db2.gz ZLGOOXONHCEBOY-RTBURBONSA-N 2 0 317.477 1.507 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000247057029 278395742 /nfs/dbraw/zinc/39/57/42/278395742.db2.gz FQARZZRFLWBRHC-RHSMWYFYSA-N 2 0 319.449 1.238 10 0 DDAERP COC[C@]1(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000261551144 293272742 /nfs/dbraw/zinc/27/27/42/293272742.db2.gz QESUCFUKCULGQS-QAPCUYQASA-N 2 0 319.449 1.249 10 0 DDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000157921909 519694697 /nfs/dbraw/zinc/69/46/97/519694697.db2.gz DCHPZJAXPKNRPG-JKSUJKDBSA-N 2 0 310.486 1.746 10 0 DDAERP C[N@H+](CCC[C@H](CC[NH3+])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000079295537 185163693 /nfs/dbraw/zinc/16/36/93/185163693.db2.gz UYYUFPHAJFCJLX-ZIAGYGMSSA-N 2 0 304.500 1.897 10 0 DDAERP CC[C@@H]([NH3+])[C@@H](c1ccsc1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000071380087 190963827 /nfs/dbraw/zinc/96/38/27/190963827.db2.gz UCLCXLLXFSDXPW-HUUCEWRRSA-N 2 0 311.495 1.915 10 0 DDAERP [NH3+]CCC[N@@H+]1CCCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081586143 192297779 /nfs/dbraw/zinc/29/77/79/192297779.db2.gz SLYKKPAHPZSXHX-UHFFFAOYSA-N 2 0 303.332 1.356 10 0 DDAERP CC[N@H+](Cc1cc(=O)n2ncsc2n1)C1CCC([NH3+])CC1 ZINC000091850904 193117526 /nfs/dbraw/zinc/11/75/26/193117526.db2.gz VBGYWCYTKKGFGP-UHFFFAOYSA-N 2 0 307.423 1.243 10 0 DDAERP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[NH+]2CCCC2)o1 ZINC000261820439 203124077 /nfs/dbraw/zinc/12/40/77/203124077.db2.gz PHULDASEVRBFLF-YCPHGPKFSA-N 2 0 321.421 1.347 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccccc2)CC1 ZINC000105862191 194149049 /nfs/dbraw/zinc/14/90/49/194149049.db2.gz LHNAKHSFKVDJEQ-OAHLLOKOSA-N 2 0 319.449 1.650 10 0 DDAERP CN(c1ncc(Br)cc1C[NH3+])C1CC[NH+](C)CC1 ZINC000051396399 183826280 /nfs/dbraw/zinc/82/62/80/183826280.db2.gz PNJSMPLXHXKFSQ-UHFFFAOYSA-N 2 0 313.243 1.833 10 0 DDAERP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)CCC[NH+](C)C)c1 ZINC000111141209 194394454 /nfs/dbraw/zinc/39/44/54/194394454.db2.gz CELLLAMJCHIKBE-ZDUSSCGKSA-N 2 0 313.467 1.539 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000262295595 285225266 /nfs/dbraw/zinc/22/52/66/285225266.db2.gz NISNHZZRJLXLKH-RHSMWYFYSA-N 2 0 319.449 1.651 10 0 DDAERP CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCC2 ZINC000262218095 407765252 /nfs/dbraw/zinc/76/52/52/407765252.db2.gz UHXSDXUAJBRLOV-HOTGVXAUSA-N 2 0 323.481 1.478 10 0 DDAERP CCn1cc(CN(C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000121198258 408160025 /nfs/dbraw/zinc/16/00/25/408160025.db2.gz VTZYUWKJNKXWJP-UHFFFAOYSA-N 2 0 316.453 1.696 10 0 DDAERP c1cnnc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000246278164 408200586 /nfs/dbraw/zinc/20/05/86/408200586.db2.gz BGZLWJFMASFQOQ-JYJNAYRXSA-N 2 0 301.438 1.662 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000246355300 408230125 /nfs/dbraw/zinc/23/01/25/408230125.db2.gz PNPOTTBSUYOBRZ-HZPDHXFCSA-N 2 0 310.486 1.987 10 0 DDAERP CCN(CC)C(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588798 162227515 /nfs/dbraw/zinc/22/75/15/162227515.db2.gz VPUQEQSMCOWRHI-HUUCEWRRSA-N 2 0 313.486 1.268 10 0 DDAERP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000183281065 408369724 /nfs/dbraw/zinc/36/97/24/408369724.db2.gz RFDOCIBQPKOBFR-MRXNPFEDSA-N 2 0 303.454 1.909 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638835624 423150022 /nfs/dbraw/zinc/15/00/22/423150022.db2.gz NASLVVLDNBLIHQ-XYVMCAHJSA-N 2 0 315.461 1.726 10 0 DDAERP C[C@@H](CCNC(=O)[C@H]1C[NH2+]CCOC1)[N@H+](C)Cc1ccccc1 ZINC000649347141 423785648 /nfs/dbraw/zinc/78/56/48/423785648.db2.gz GUYSLFPKCFVPES-RDJZCZTQSA-N 2 0 319.449 1.249 10 0 DDAERP Cc1cnn(C)c1C[NH2+][C@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000367143600 307087074 /nfs/dbraw/zinc/08/70/74/307087074.db2.gz KACZCKSXVNRQSF-HNNXBMFYSA-N 2 0 314.437 1.894 10 0 DDAERP COc1cccc([C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)[NH+](C)C)c1 ZINC000261815189 698438857 /nfs/dbraw/zinc/43/88/57/698438857.db2.gz XFLRAXMIGQOSJB-DAXOMENPSA-N 2 0 305.422 1.270 10 0 DDAERP Cc1ccc(CNC(=O)CN(C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000262489788 698471686 /nfs/dbraw/zinc/47/16/86/698471686.db2.gz KVVOUSJXBUAKGT-HNNXBMFYSA-N 2 0 307.413 1.824 10 0 DDAERP C[NH+](C)[C@H]1CCCN(c2nc(NN)[nH+]cc2Br)C1 ZINC000087890277 185234737 /nfs/dbraw/zinc/23/47/37/185234737.db2.gz CMILFUPOBCQFEP-QMMMGPOBSA-N 2 0 315.219 1.055 10 0 DDAERP CC[N@H+](C)CCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088542606 185256487 /nfs/dbraw/zinc/25/64/87/185256487.db2.gz JFFSNOSXIXPFHN-UHFFFAOYSA-N 2 0 303.428 1.008 10 0 DDAERP C[C@H]([NH3+])Cc1c(N(C)C[C@@H]2CCC[N@@H+]2C)nc2sccn12 ZINC000092678761 185333347 /nfs/dbraw/zinc/33/33/47/185333347.db2.gz JNZJNSVRANXQHF-RYUDHWBXSA-N 2 0 307.467 1.816 10 0 DDAERP O=S(=O)(CCC[NH2+]C1CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000089034676 192708248 /nfs/dbraw/zinc/70/82/48/192708248.db2.gz VJQGNCHKXPATEE-OAHLLOKOSA-N 2 0 315.483 1.019 10 0 DDAERP C[NH+](C)C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091138016 193003021 /nfs/dbraw/zinc/00/30/21/193003021.db2.gz IAQDZWGGUOTZLJ-GJZGRUSLSA-N 2 0 307.463 1.501 10 0 DDAERP c1ccc(C[NH+]2CCN(CC[C@H]3CSCC[NH2+]3)CC2)cc1 ZINC000091291960 193032775 /nfs/dbraw/zinc/03/27/75/193032775.db2.gz QDARXOPRMZMJLD-KRWDZBQOSA-N 2 0 305.491 1.899 10 0 DDAERP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1Cc2ccccc2S1 ZINC000092267680 193183175 /nfs/dbraw/zinc/18/31/75/193183175.db2.gz SAKDLFJPHZSFJA-CQSZACIVSA-N 2 0 305.447 1.067 10 0 DDAERP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)o1 ZINC000262370019 203275736 /nfs/dbraw/zinc/27/57/36/203275736.db2.gz LSUZQZFRSJGLKR-ZFWWWQNUSA-N 2 0 307.438 1.866 10 0 DDAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000041507845 183195266 /nfs/dbraw/zinc/19/52/66/183195266.db2.gz SVYWQVJNBQEIIA-ZDUSSCGKSA-N 2 0 300.244 1.942 10 0 DDAERP COC(=O)c1coc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000105862767 194150667 /nfs/dbraw/zinc/15/06/67/194150667.db2.gz VERSHUXIXJBBGW-CYBMUJFWSA-N 2 0 324.421 1.591 10 0 DDAERP Cc1cc(=O)n2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)sc2n1 ZINC000110649545 194346281 /nfs/dbraw/zinc/34/62/81/194346281.db2.gz FQZGNZAPLVWTKS-SNVBAGLBSA-N 2 0 307.423 1.019 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)c2c[nH+]c(NN)c(Cl)c2)C1 ZINC000062985090 184264865 /nfs/dbraw/zinc/26/48/65/184264865.db2.gz LOIVRBDCIPQKFH-LLVKDONJSA-N 2 0 311.817 1.577 10 0 DDAERP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000063178214 184276747 /nfs/dbraw/zinc/27/67/47/184276747.db2.gz RJNUKLIHKHUTSY-GFCCVEGCSA-N 2 0 311.813 1.333 10 0 DDAERP Cc1cc(NC(=O)CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)on1 ZINC000261678731 407578575 /nfs/dbraw/zinc/57/85/75/407578575.db2.gz IFDHSCKZSLFTKH-CABCVRRESA-N 2 0 314.389 1.596 10 0 DDAERP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]([NH3+])COC)cc1 ZINC000262320910 407797026 /nfs/dbraw/zinc/79/70/26/407797026.db2.gz QJAUSYDODPRIRP-OAHLLOKOSA-N 2 0 309.410 1.319 10 0 DDAERP COC[C@H]([NH3+])C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000262342530 407807114 /nfs/dbraw/zinc/80/71/14/407807114.db2.gz IBQWBYTYSREXRH-DZKIICNBSA-N 2 0 319.449 1.233 10 0 DDAERP CN(Cc1ccccc1F)C(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262400172 407826667 /nfs/dbraw/zinc/82/66/67/407826667.db2.gz CEGMNMQIORKVET-NOLJZWGESA-N 2 0 305.397 1.453 10 0 DDAERP COCc1nc(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000182498062 408178147 /nfs/dbraw/zinc/17/81/47/408178147.db2.gz VHIKVUAHDXGINQ-CYBMUJFWSA-N 2 0 317.393 1.853 10 0 DDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CC ZINC000246418863 408250968 /nfs/dbraw/zinc/25/09/68/408250968.db2.gz SKELMFRWQGYWPU-JYJNAYRXSA-N 2 0 310.486 1.985 10 0 DDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190603141 408288398 /nfs/dbraw/zinc/28/83/98/408288398.db2.gz IQKHYHAESCLARZ-QGZVFWFLSA-N 2 0 318.465 1.702 10 0 DDAERP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)COC(C)C)C2)n1 ZINC000249910196 408771401 /nfs/dbraw/zinc/77/14/01/408771401.db2.gz VUBBHDIYRVRDHB-HZPDHXFCSA-N 2 0 307.438 1.910 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)C1 ZINC000638079931 422643226 /nfs/dbraw/zinc/64/32/26/422643226.db2.gz JVUMKKDAVPZIOW-USXIJHARSA-N 2 0 319.449 1.520 10 0 DDAERP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400332069 302368894 /nfs/dbraw/zinc/36/88/94/302368894.db2.gz FCXBFXGFOWGKEY-MJGOQNOKSA-N 3 0 316.493 1.392 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000156749455 519690854 /nfs/dbraw/zinc/69/08/54/519690854.db2.gz NAWUYTTUHGNFLA-CJNGLKHVSA-N 2 0 308.470 1.641 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000262174846 698458370 /nfs/dbraw/zinc/45/83/70/698458370.db2.gz BBARHAWFMXOOJO-MRXNPFEDSA-N 2 0 320.437 1.129 10 0 DDAERP CCC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)o1 ZINC000088542441 185256213 /nfs/dbraw/zinc/25/62/13/185256213.db2.gz TWNKZUGCSWSZIA-LBPRGKRZSA-N 2 0 315.439 1.009 10 0 DDAERP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000092626675 185329716 /nfs/dbraw/zinc/32/97/16/185329716.db2.gz XTWSSGPFMKOCEA-HNNXBMFYSA-N 2 0 311.451 1.001 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000092632505 185330555 /nfs/dbraw/zinc/33/05/55/185330555.db2.gz YJULUDKBRNZJCL-HNNXBMFYSA-N 2 0 317.499 1.122 10 0 DDAERP Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000170834752 306683050 /nfs/dbraw/zinc/68/30/50/306683050.db2.gz AZXNLFBHRDVZDL-IRXDYDNUSA-N 2 0 318.465 1.943 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246772864 354361943 /nfs/dbraw/zinc/36/19/43/354361943.db2.gz ROSCGAHCTDFEJK-CVEARBPZSA-N 2 0 311.470 1.380 10 0 DDAERP O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379455025 354625705 /nfs/dbraw/zinc/62/57/05/354625705.db2.gz MSXBYWWFCILLLF-IAGOWNOFSA-N 2 0 301.434 1.767 10 0 DDAERP CC(C)[NH2+]CCCCS(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000088969331 192673000 /nfs/dbraw/zinc/67/30/00/192673000.db2.gz MHGDJZUADRLOLB-UHFFFAOYSA-N 2 0 305.488 1.120 10 0 DDAERP CCC[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[NH+](C)C ZINC000179548518 199053388 /nfs/dbraw/zinc/05/33/88/199053388.db2.gz YFDWTQRNBCQFSN-KRWDZBQOSA-N 2 0 318.465 1.893 10 0 DDAERP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)C1 ZINC000091392597 193049968 /nfs/dbraw/zinc/04/99/68/193049968.db2.gz FWTFSGPNINIHPE-OAHLLOKOSA-N 2 0 311.451 1.001 10 0 DDAERP C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2C[NH3+])C1 ZINC000091394994 193051195 /nfs/dbraw/zinc/05/11/95/193051195.db2.gz LORSACHGJICDLI-HNNXBMFYSA-N 2 0 311.451 1.001 10 0 DDAERP CC[NH+](CC)CC[C@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700741 193295031 /nfs/dbraw/zinc/29/50/31/193295031.db2.gz IGXXQMGBCQJXOB-KGLIPLIRSA-N 2 0 305.488 1.107 10 0 DDAERP COCCC[N@H+](CCOC)[C@H]1CC[C@](CO)([NH2+]C(C)C)C1 ZINC000093856800 193319438 /nfs/dbraw/zinc/31/94/38/193319438.db2.gz KZMOZAMNSBVLKH-HOTGVXAUSA-N 2 0 302.459 1.253 10 0 DDAERP [NH3+]CCCCN1CC[NH+]([C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094364427 193365653 /nfs/dbraw/zinc/36/56/53/193365653.db2.gz HNJQDSOCWSHSLP-JKSUJKDBSA-N 2 0 313.511 1.398 10 0 DDAERP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094384006 193368033 /nfs/dbraw/zinc/36/80/33/193368033.db2.gz LKPYARTZIIDRBL-HNNXBMFYSA-N 2 0 313.511 1.268 10 0 DDAERP C[NH+](C)C1(CNS(=O)(=O)c2ccc(CC[NH3+])s2)CCC1 ZINC000097934461 193767664 /nfs/dbraw/zinc/76/76/64/193767664.db2.gz UZOXGTSENDWJQG-UHFFFAOYSA-N 2 0 317.480 1.012 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000041681743 183217078 /nfs/dbraw/zinc/21/70/78/183217078.db2.gz VPMVIJCOLKHHRC-QWHCGFSZSA-N 2 0 313.467 1.715 10 0 DDAERP CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000042782433 183309302 /nfs/dbraw/zinc/30/93/02/183309302.db2.gz OUAVTZKSUKJEOT-UHFFFAOYSA-N 2 0 319.496 1.415 10 0 DDAERP C[C@@H](CNS(=O)(=O)c1cccc(C[NH3+])c1)C[NH+]1CCCC1 ZINC000062074043 184204500 /nfs/dbraw/zinc/20/45/00/184204500.db2.gz VTNOCHYWUJQPFH-ZDUSSCGKSA-N 2 0 311.451 1.156 10 0 DDAERP C[C@]1(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)CC[NH2+]C1 ZINC000062895431 184258876 /nfs/dbraw/zinc/25/88/76/184258876.db2.gz QJICIHPQMXHYJT-INIZCTEOSA-N 2 0 307.463 1.782 10 0 DDAERP C[NH+](C)[C@H]1CCN(c2nc3sccn3c2C[NH2+]C2CC2)C1 ZINC000062967079 184262744 /nfs/dbraw/zinc/26/27/44/184262744.db2.gz ZIKIRYDABRMAQZ-LBPRGKRZSA-N 2 0 305.451 1.788 10 0 DDAERP C[NH+](C)CCC[NH2+]CCSc1ccc(S(C)(=O)=O)cc1 ZINC000063132041 184272768 /nfs/dbraw/zinc/27/27/68/184272768.db2.gz GRRCWWJBBCVVNG-UHFFFAOYSA-N 2 0 316.492 1.724 10 0 DDAERP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CC[N@@H+](C4CCC4)C3)O2)CC1 ZINC000248052394 257109860 /nfs/dbraw/zinc/10/98/60/257109860.db2.gz RNXASMGNDMXWTP-ROUUACIJSA-N 2 0 307.482 1.800 10 0 DDAERP COc1cc(C[N@@H+]2C[C@@H]3OC[C@@H](C[NH+](C)C)[C@@H]3C2)cc(OC)c1 ZINC000247980366 257112905 /nfs/dbraw/zinc/11/29/05/257112905.db2.gz JIUCXKKBTVWHJH-JLSDUUJJSA-N 2 0 320.433 1.712 10 0 DDAERP COc1c(C)cnc(CN(C)c2cc(CC[NH3+])ncn2)c1C ZINC000067871312 407288256 /nfs/dbraw/zinc/28/82/56/407288256.db2.gz AHJABPMUDZQMCP-UHFFFAOYSA-N 2 0 301.394 1.635 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000113615110 407519765 /nfs/dbraw/zinc/51/97/65/407519765.db2.gz RQMFXRXIPSKQQO-GOEBONIOSA-N 2 0 308.470 1.596 10 0 DDAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000170855559 407531562 /nfs/dbraw/zinc/53/15/62/407531562.db2.gz QEVDNJCWDTVNNH-IRXDYDNUSA-N 2 0 301.434 1.814 10 0 DDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261726285 407591855 /nfs/dbraw/zinc/59/18/55/407591855.db2.gz CRAPMHGKXFCJES-FMKPAKJESA-N 2 0 311.470 1.225 10 0 DDAERP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261914382 407668609 /nfs/dbraw/zinc/66/86/09/407668609.db2.gz JMHMSXOQTZWNKH-GUDVDZBRSA-N 2 0 317.477 1.995 10 0 DDAERP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261953988 407687420 /nfs/dbraw/zinc/68/74/20/407687420.db2.gz GKXDZFPODKIAOM-CGTJXYLNSA-N 2 0 319.497 1.734 10 0 DDAERP CC[N@H+](CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000262000882 407708799 /nfs/dbraw/zinc/70/87/99/407708799.db2.gz UBNIHAFSZXCFKR-CQSZACIVSA-N 2 0 315.417 1.747 10 0 DDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262091739 407737491 /nfs/dbraw/zinc/73/74/91/407737491.db2.gz UMGSDDVPNATWNV-HIFRSBDPSA-N 2 0 311.470 1.367 10 0 DDAERP Cc1nc([C@@H]2CCCN(Cc3noc(CN)n3)C2)sc1C ZINC000262181538 407760035 /nfs/dbraw/zinc/76/00/35/407760035.db2.gz IVAWDNDKPPWYKE-LLVKDONJSA-N 2 0 307.423 1.981 10 0 DDAERP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(OC)c1OC ZINC000262529718 407859268 /nfs/dbraw/zinc/85/92/68/407859268.db2.gz PKCAFOXKNOFYOV-MJBXVCDLSA-N 2 0 306.406 1.882 10 0 DDAERP COCCCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000117880152 407867387 /nfs/dbraw/zinc/86/73/87/407867387.db2.gz PSEIDLYYVJSOLU-QGZVFWFLSA-N 2 0 313.486 1.140 10 0 DDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263097194 408024654 /nfs/dbraw/zinc/02/46/54/408024654.db2.gz YYXWEKVNRKUHTE-YUELXQCFSA-N 2 0 323.387 1.935 10 0 DDAERP CC1CC[NH+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)CC1 ZINC000263239072 408070467 /nfs/dbraw/zinc/07/04/67/408070467.db2.gz BZBSEDRKZAZISK-UHFFFAOYSA-N 2 0 301.434 1.754 10 0 DDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000263243624 408072895 /nfs/dbraw/zinc/07/28/95/408072895.db2.gz GZYOHYICRYSUQY-BLLLJJGKSA-N 2 0 320.437 1.889 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246343227 408227785 /nfs/dbraw/zinc/22/77/85/408227785.db2.gz HFRJRPPCQGIHEQ-SJORKVTESA-N 2 0 322.497 1.844 10 0 DDAERP C(CCN1CC[NH+]2CCC[C@H]2C1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172656225 162291987 /nfs/dbraw/zinc/29/19/87/162291987.db2.gz ILZOATBZKXFVPR-HDICACEKSA-N 2 0 306.498 1.327 10 0 DDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247313762 408448304 /nfs/dbraw/zinc/44/83/04/408448304.db2.gz OFQXEEQKSNBPES-OAGGEKHMSA-N 2 0 308.470 1.596 10 0 DDAERP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000247531605 408488008 /nfs/dbraw/zinc/48/80/08/408488008.db2.gz ZXPWDTSKHVYNPJ-ARFHVFGLSA-N 2 0 310.486 1.889 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000194135708 408765158 /nfs/dbraw/zinc/76/51/58/408765158.db2.gz CGARYMXAQXISII-MRXNPFEDSA-N 2 0 310.486 1.892 10 0 DDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2cnn(C)c2)CC1 ZINC000191479123 163188991 /nfs/dbraw/zinc/18/89/91/163188991.db2.gz BDIFOPFIXGCOTJ-SFHVURJKSA-N 2 0 319.497 1.973 10 0 DDAERP CCC(CC)(C[NH3+])C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000261994535 163744837 /nfs/dbraw/zinc/74/48/37/163744837.db2.gz NGPRYQJYLBCIEU-CQSZACIVSA-N 2 0 313.486 1.303 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000174737083 287220557 /nfs/dbraw/zinc/22/05/57/287220557.db2.gz NPMCEYSENASSPF-IIAWOOMASA-N 2 0 308.470 1.737 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000245927557 279318500 /nfs/dbraw/zinc/31/85/00/279318500.db2.gz HVMFJKAPXRHUPR-OWCLPIDISA-N 2 0 308.470 1.596 10 0 DDAERP C[C@H]1CCC[C@](CNC(=O)C2(C[NH3+])CCOCC2)([NH+](C)C)C1 ZINC000262309633 299908322 /nfs/dbraw/zinc/90/83/22/299908322.db2.gz PNZUZTBAANKQKY-YOEHRIQHSA-N 2 0 311.470 1.369 10 0 DDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400403740 302369406 /nfs/dbraw/zinc/36/94/06/302369406.db2.gz QZQZNKUIWJHMEC-AEFFLSMTSA-N 3 0 317.477 1.601 10 0 DDAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])Cc1ccc(F)cc1 ZINC000261890869 484258908 /nfs/dbraw/zinc/25/89/08/484258908.db2.gz VEZNRLCTJJTURS-GDBMZVCRSA-N 2 0 307.413 1.749 10 0 DDAERP O=C(N[C@H]1C[NH+]2CCC1CC2)c1ccc(C[NH+]2CCCC2)o1 ZINC000222535624 697757158 /nfs/dbraw/zinc/75/71/58/697757158.db2.gz ALLREIDIEZPWNC-HNNXBMFYSA-N 2 0 303.406 1.699 10 0 DDAERP Cn1ccnc1C[N@H+](CC[C@H]1CCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261811358 698439128 /nfs/dbraw/zinc/43/91/28/698439128.db2.gz HRUWVWIIDUEQBT-JKSUJKDBSA-N 2 0 318.465 1.791 10 0 DDAERP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000261905465 698444406 /nfs/dbraw/zinc/44/44/06/698444406.db2.gz VQBVMTPDNBUXLC-OCCSQVGLSA-N 2 0 318.421 1.060 10 0 DDAERP C[NH+](C)C(C)(C)CNc1nc(NN)[nH+]cc1Br ZINC000087867579 185233825 /nfs/dbraw/zinc/23/38/25/185233825.db2.gz DJJLXPKZGOVVKI-UHFFFAOYSA-N 2 0 303.208 1.277 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)o1 ZINC000088543277 185256507 /nfs/dbraw/zinc/25/65/07/185256507.db2.gz WGRDXDGRMVEQEC-UHFFFAOYSA-N 2 0 303.428 1.008 10 0 DDAERP Cc1sc(C[NH3+])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092679023 185333495 /nfs/dbraw/zinc/33/34/95/185333495.db2.gz IWABTWDBFMHWPV-LLVKDONJSA-N 2 0 317.480 1.230 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000092632509 185330520 /nfs/dbraw/zinc/33/05/20/185330520.db2.gz CUCASYJEYIVZHM-GJZGRUSLSA-N 2 0 317.499 1.265 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@H]1c1cc2c(c(Cl)c1)OCO2 ZINC000093374695 193240853 /nfs/dbraw/zinc/24/08/53/193240853.db2.gz NASVXLOQVFWJBZ-NSHDSACASA-N 2 0 310.785 1.302 10 0 DDAERP CCCS(=O)(=O)N1CCC([NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000093464818 193256133 /nfs/dbraw/zinc/25/61/33/193256133.db2.gz COZKIQJHKRSGFU-HIFRSBDPSA-N 2 0 317.499 1.311 10 0 DDAERP CS(=O)(=O)[C@H]1CCC[C@H]([N@H+](CC2CC[NH2+]CC2)C2CC2)C1 ZINC000094638897 193387982 /nfs/dbraw/zinc/38/79/82/193387982.db2.gz STWCWSNIJQOYOY-HOTGVXAUSA-N 2 0 314.495 1.806 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000094459099 193371730 /nfs/dbraw/zinc/37/17/30/193371730.db2.gz OVHMYSWNBDCXPZ-GXTWGEPZSA-N 2 0 309.435 1.003 10 0 DDAERP CC(C)(C)NNc1[nH+]cnc(NCC[NH+]2CCCCC2)c1N ZINC000040756401 183129685 /nfs/dbraw/zinc/12/96/85/183129685.db2.gz FSOFUQNZURJTFJ-UHFFFAOYSA-N 2 0 307.446 1.672 10 0 DDAERP CC[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(N)=O ZINC000105861675 194148645 /nfs/dbraw/zinc/14/86/45/194148645.db2.gz DXRLNXVTLHZLAJ-SJORKVTESA-N 2 0 319.449 1.286 10 0 DDAERP CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N(C)CC[NH+](C)C)c1 ZINC000111141182 194393916 /nfs/dbraw/zinc/39/39/16/194393916.db2.gz XQHTUXYUWVQGEV-OAHLLOKOSA-N 2 0 313.467 1.539 10 0 DDAERP C[NH+](C)CCN1CCN(c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000061655502 184181288 /nfs/dbraw/zinc/18/12/88/184181288.db2.gz YEBWUPGQLPVBTP-GFCCVEGCSA-N 2 0 309.483 1.163 10 0 DDAERP NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])cn3)o2)nc1 ZINC000027527301 406911736 /nfs/dbraw/zinc/91/17/36/406911736.db2.gz YIOIBLVIGXIOMG-UHFFFAOYSA-N 2 0 306.329 1.972 10 0 in-vivo DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000170832465 407522071 /nfs/dbraw/zinc/52/20/71/407522071.db2.gz QKEWURBKNRSIHM-HZPDHXFCSA-N 2 0 322.428 1.774 10 0 DDAERP C[NH+](C)Cc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000116797245 407781117 /nfs/dbraw/zinc/78/11/17/407781117.db2.gz DANHKXIVXCMHIQ-INIZCTEOSA-N 2 0 305.422 1.151 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262310101 407794121 /nfs/dbraw/zinc/79/41/21/407794121.db2.gz OYZCTIPEWGYHOI-WMLDXEAASA-N 2 0 319.449 1.508 10 0 DDAERP C[C@H]1CCC[C@@](CNC(=O)C2(C[NH3+])CCOCC2)([NH+](C)C)C1 ZINC000262309626 407795125 /nfs/dbraw/zinc/79/51/25/407795125.db2.gz PNZUZTBAANKQKY-WMLDXEAASA-N 2 0 311.470 1.369 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000262473841 407843751 /nfs/dbraw/zinc/84/37/51/407843751.db2.gz YPBPLISFTBIAFY-CQSZACIVSA-N 2 0 304.394 1.115 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000245475544 407998428 /nfs/dbraw/zinc/99/84/28/407998428.db2.gz SASITTAXUWHWAZ-HOTGVXAUSA-N 2 0 310.486 1.844 10 0 DDAERP O[C@@H]1C[NH2+]C[C@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000263278519 408088137 /nfs/dbraw/zinc/08/81/37/408088137.db2.gz TVUVQDWFZCCRCH-MAUKXSAKSA-N 2 0 321.440 1.003 10 0 DDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000246376813 408237124 /nfs/dbraw/zinc/23/71/24/408237124.db2.gz JNFCFMKPJGTFSZ-HOTGVXAUSA-N 2 0 308.470 1.454 10 0 DDAERP C[C@@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000246281807 408206070 /nfs/dbraw/zinc/20/60/70/408206070.db2.gz KBJZSKNJDPAOJK-KFWWJZLASA-N 2 0 310.486 1.841 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000246779330 408339494 /nfs/dbraw/zinc/33/94/94/408339494.db2.gz BEEGUYBNJGKXRT-ZACQAIPSSA-N 2 0 322.497 1.985 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1CC ZINC000168079345 162179219 /nfs/dbraw/zinc/17/92/19/162179219.db2.gz KTXQGFSGZGEKFD-PMPSAXMXSA-N 2 0 311.470 1.463 10 0 DDAERP CSCCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000173681753 162357686 /nfs/dbraw/zinc/35/76/86/162357686.db2.gz ONHNQEMALSYLKI-INIZCTEOSA-N 2 0 315.527 1.466 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000194660441 418547215 /nfs/dbraw/zinc/54/72/15/418547215.db2.gz ACVUUHNZHAAYRZ-HNNXBMFYSA-N 2 0 319.449 1.841 10 0 DDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000312008713 418591813 /nfs/dbraw/zinc/59/18/13/418591813.db2.gz IIMPYBXROSBYMN-IRXDYDNUSA-N 2 0 319.449 1.377 10 0 DDAERP C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000111606367 279203165 /nfs/dbraw/zinc/20/31/65/279203165.db2.gz RNLHPMVUGUCOSG-RHSMWYFYSA-N 2 0 301.434 1.596 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247004786 288302681 /nfs/dbraw/zinc/30/26/81/288302681.db2.gz KXSRRURSXOGFEG-QKPAOTATSA-N 2 0 308.470 1.737 10 0 DDAERP O[C@@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390851197 307294031 /nfs/dbraw/zinc/29/40/31/307294031.db2.gz IIKZHCAAUDAQLL-PYWTVGQWSA-N 2 0 302.418 1.531 10 0 DDAERP O=C(NCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)C(F)(F)F ZINC000261970157 698448098 /nfs/dbraw/zinc/44/80/98/698448098.db2.gz QFRSXLFAIIHNCA-LBPRGKRZSA-N 2 0 307.360 1.377 10 0 DDAERP C[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCCCC3)cc2)CC1 ZINC000074693573 185009858 /nfs/dbraw/zinc/00/98/58/185009858.db2.gz DQFOSYBNMOLJSK-UHFFFAOYSA-N 2 0 316.449 1.863 10 0 DDAERP CCC[C@H](C[NH3+])C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000087528125 185227603 /nfs/dbraw/zinc/22/76/03/185227603.db2.gz BBWRMBMUEAPVPA-OAHLLOKOSA-N 3 0 300.491 1.093 10 0 DDAERP C[NH+](C)CCN1CC[NH+](CCCC(C)(C)C(N)=S)CC1 ZINC000087608061 185229254 /nfs/dbraw/zinc/22/92/54/185229254.db2.gz PMXAMDIMOBOJIY-UHFFFAOYSA-N 2 0 300.516 1.258 10 0 DDAERP COCC[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000181688642 539238297 /nfs/dbraw/zinc/23/82/97/539238297.db2.gz YHOJMJNJMUWJRQ-MRXNPFEDSA-N 2 0 323.456 1.910 10 0 DDAERP CCC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)o1 ZINC000088542442 185256385 /nfs/dbraw/zinc/25/63/85/185256385.db2.gz TWNKZUGCSWSZIA-GFCCVEGCSA-N 2 0 315.439 1.009 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C[NH2+]CC)o1 ZINC000088544277 185256605 /nfs/dbraw/zinc/25/66/05/185256605.db2.gz NGSUUACEFNXAGP-UHFFFAOYSA-N 2 0 317.455 1.351 10 0 DDAERP C[C@H](O)C[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000248552984 539272120 /nfs/dbraw/zinc/27/21/20/539272120.db2.gz HFJMFFHVWVGOGH-HOTGVXAUSA-N 2 0 323.456 1.644 10 0 DDAERP CS(=O)(=O)[C@H]1CCC[C@@H]1[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021522 193339263 /nfs/dbraw/zinc/33/92/63/193339263.db2.gz VKHIHGJWQXJFIJ-GJZGRUSLSA-N 2 0 300.468 1.416 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094634708 193385837 /nfs/dbraw/zinc/38/58/37/193385837.db2.gz FFQBTSMQDQNGNN-CHWSQXEVSA-N 2 0 320.524 1.499 10 0 DDAERP [NH3+]CCCOC1CC[NH+]([C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094384854 193367677 /nfs/dbraw/zinc/36/76/77/193367677.db2.gz HRMXMKSEEREQMF-HOCLYGCPSA-N 2 0 314.495 1.871 10 0 DDAERP CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C[NH3+])s2)CC1 ZINC000042689822 183296381 /nfs/dbraw/zinc/29/63/81/183296381.db2.gz ZDWIEGSRELGDAY-UHFFFAOYSA-N 2 0 317.480 1.312 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000110389610 194327187 /nfs/dbraw/zinc/32/71/87/194327187.db2.gz DZKLOZJXPTYJGI-CQSZACIVSA-N 2 0 311.451 1.121 10 0 DDAERP CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000063121368 184271530 /nfs/dbraw/zinc/27/15/30/184271530.db2.gz BBLPGMQCYGGGQB-UHFFFAOYSA-N 2 0 311.451 1.108 10 0 DDAERP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)CC1CC[NH2+]CC1 ZINC000261658269 407572894 /nfs/dbraw/zinc/57/28/94/407572894.db2.gz GQWQCGRWYXKNPA-OAHLLOKOSA-N 3 0 308.495 1.863 10 0 DDAERP [NH3+][C@@H]1CC[C@H]2CN(CC(=O)N3CCc4sccc4C3)C[C@H]12 ZINC000261714782 407590746 /nfs/dbraw/zinc/59/07/46/407590746.db2.gz PNBDQXUFXSRPHR-FPMFFAJLSA-N 2 0 305.447 1.302 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000262299374 407788604 /nfs/dbraw/zinc/78/86/04/407788604.db2.gz NSEGGLZIBBTYOB-BBRMVZONSA-N 2 0 321.421 1.319 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000262350392 407808360 /nfs/dbraw/zinc/80/83/60/407808360.db2.gz IYCUOTLOPNUHRB-CYBMUJFWSA-N 2 0 306.410 1.105 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000246113635 408144117 /nfs/dbraw/zinc/14/41/17/408144117.db2.gz HYEAUWJYGYXLBN-IRXDYDNUSA-N 2 0 322.497 1.987 10 0 DDAERP C[NH+](C)CC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000176516467 408385363 /nfs/dbraw/zinc/38/53/63/408385363.db2.gz OFKGXQCSWCWJLM-KRWDZBQOSA-N 2 0 319.449 1.110 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000247511995 408483196 /nfs/dbraw/zinc/48/31/96/408483196.db2.gz PWOKUKGBKMNSNI-DLBZAZTESA-N 2 0 316.449 1.779 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247560478 408492867 /nfs/dbraw/zinc/49/28/67/408492867.db2.gz ZZXMKBPFCSTWKN-OAGGEKHMSA-N 2 0 308.470 1.596 10 0 DDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390739465 418755217 /nfs/dbraw/zinc/75/52/17/418755217.db2.gz LGKICUWFODWDIK-FGTMMUONSA-N 2 0 315.461 2.000 10 0 DDAERP COC[C@]1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649332214 423758838 /nfs/dbraw/zinc/75/88/38/423758838.db2.gz GXQRJZIOWDQZEL-YJBOKZPZSA-N 2 0 319.449 1.392 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000246332145 279319212 /nfs/dbraw/zinc/31/92/12/279319212.db2.gz BBNGRQUMHHURPM-HOTGVXAUSA-N 2 0 308.470 1.741 10 0 DDAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)[nH+]1 ZINC000195516340 281246939 /nfs/dbraw/zinc/24/69/39/281246939.db2.gz MHGPZFJWTTZIIV-CQSZACIVSA-N 2 0 302.422 1.745 10 0 DDAERP O[C@@H]1CCCC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390843344 483982733 /nfs/dbraw/zinc/98/27/33/483982733.db2.gz FKKZVOWAQSJVHX-RTBURBONSA-N 2 0 317.477 1.697 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262170144 698457592 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CC[NH+](CC)CC[C@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700739 193295021 /nfs/dbraw/zinc/29/50/21/193295021.db2.gz IGXXQMGBCQJXOB-KBPBESRZSA-N 2 0 305.488 1.107 10 0 DDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)NCCCOC ZINC000020365672 182211887 /nfs/dbraw/zinc/21/18/87/182211887.db2.gz ZDHCVSOOKRSVOE-HUUCEWRRSA-N 2 0 301.475 1.628 10 0 DDAERP CCC(C)(C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862350 194150395 /nfs/dbraw/zinc/15/03/95/194150395.db2.gz YSWTWGADQLMMJN-CQSZACIVSA-N 2 0 313.486 1.316 10 0 DDAERP CC[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(N)=O ZINC000105861682 194148422 /nfs/dbraw/zinc/14/84/22/194148422.db2.gz DXRLNXVTLHZLAJ-IAGOWNOFSA-N 2 0 319.449 1.286 10 0 DDAERP CC(C)(C)S(=O)(=O)N1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000111071296 194388386 /nfs/dbraw/zinc/38/83/86/194388386.db2.gz XWYJIURVLUOTTC-UHFFFAOYSA-N 2 0 305.488 1.251 10 0 DDAERP Cc1ccsc1[C@@H]([C@H](C)[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061642365 184180520 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C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000130650439 407704151 /nfs/dbraw/zinc/70/41/51/407704151.db2.gz MQENGGIQEUMDKH-IIAWOOMASA-N 2 0 306.454 1.491 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000262210561 407766272 /nfs/dbraw/zinc/76/62/72/407766272.db2.gz DXFZWFQOFOUGSW-CZUORRHYSA-N 2 0 305.422 1.831 10 0 DDAERP CC[N@H+](C)Cc1cccc(CNC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262291992 407784999 /nfs/dbraw/zinc/78/49/99/407784999.db2.gz OTSJFOOSGZLBGN-UHFFFAOYSA-N 2 0 319.449 1.510 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000262269040 407778298 /nfs/dbraw/zinc/77/82/98/407778298.db2.gz KEJDLELVDABOGD-CQSZACIVSA-N 2 0 323.462 1.456 10 0 DDAERP CCOCC[N@@H+]1CCN(c2ccncc2C(N)=O)C[C@@H]1CC ZINC000180029332 407847283 /nfs/dbraw/zinc/84/72/83/407847283.db2.gz GJTBCZGLJVVXJV-ZDUSSCGKSA-N 2 0 306.410 1.118 10 0 DDAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCCCNC3=O)C2)[nH+]1 ZINC000119010443 407977619 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1.987 10 0 DDAERP C[NH2+][C@H](C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000582191274 422128236 /nfs/dbraw/zinc/12/82/36/422128236.db2.gz RZZLCLGJIYPDCP-OAHLLOKOSA-N 2 0 303.450 1.965 10 0 DDAERP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763620 422624021 /nfs/dbraw/zinc/62/40/21/422624021.db2.gz ZVDJNQPOOXXVHR-LNLFQRSKSA-N 2 0 313.445 1.767 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638078698 422640697 /nfs/dbraw/zinc/64/06/97/422640697.db2.gz GBYVXCITIXQEFR-SJORKVTESA-N 2 0 318.465 1.046 10 0 DDAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000649335558 423762650 /nfs/dbraw/zinc/76/26/50/423762650.db2.gz JPNJTDNBAGIRSI-SJORKVTESA-N 2 0 317.433 1.003 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247390615 279128632 /nfs/dbraw/zinc/12/86/32/279128632.db2.gz QKOISHHFLSRLTC-BZUAXINKSA-N 2 0 312.502 1.991 10 0 DDAERP C[C@@H]1C[C@H](C)N(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000333226380 297366481 /nfs/dbraw/zinc/36/64/81/297366481.db2.gz BAVCULGMYMNYPY-PASDCYSWSA-N 2 0 315.461 1.750 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)COC1(C)C[NH2+]C1 ZINC000381072639 490777711 /nfs/dbraw/zinc/77/77/11/490777711.db2.gz PUKWHMJHJCDQNE-AWEZNQCLSA-N 2 0 305.422 1.002 10 0 DDAERP CC[C@@H](CC[NH3+])CCC(=O)N(CCC[NH+](C)C)CCOC ZINC000079210873 185161684 /nfs/dbraw/zinc/16/16/84/185161684.db2.gz ZWDMKBJAHIGVKZ-OAHLLOKOSA-N 2 0 301.475 1.568 10 0 DDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000262659064 282293527 /nfs/dbraw/zinc/29/35/27/282293527.db2.gz FJUYKSZGKVTWQL-FPCVCCKLSA-N 2 0 311.470 1.367 10 0 DDAERP [NH3+][C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)C1 ZINC000072462650 191172469 /nfs/dbraw/zinc/17/24/69/191172469.db2.gz XYICFMURSPNBMI-AWEZNQCLSA-N 2 0 324.432 1.154 10 0 DDAERP C[NH+](C)[C@@H]1CCCN(c2cc(N[C@H]3CCCOC3)ncn2)C1 ZINC000328621463 354548329 /nfs/dbraw/zinc/54/83/29/354548329.db2.gz AMVDCEHZCDCEIH-UONOGXRCSA-N 2 0 305.426 1.598 10 0 DDAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000237858192 202372813 /nfs/dbraw/zinc/37/28/13/202372813.db2.gz QZNKIIFGULLSDM-CABCVRRESA-N 2 0 309.454 1.217 10 0 DDAERP C[N@H+](Cc1cccc(C[NH3+])c1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634621 193385809 /nfs/dbraw/zinc/38/58/09/193385809.db2.gz UJPMPYPPFBDVKG-HOTGVXAUSA-N 2 0 310.463 1.933 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000094459924 193370807 /nfs/dbraw/zinc/37/08/07/193370807.db2.gz QLGBRFHDCWFCJI-WZRBSPASSA-N 2 0 305.344 1.224 10 0 DDAERP CC(C)[NH2+]CCCS(=O)(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110389818 194326854 /nfs/dbraw/zinc/32/68/54/194326854.db2.gz BBFOAMRMRZVWIK-OAHLLOKOSA-N 2 0 317.499 1.265 10 0 DDAERP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)O1 ZINC000247976342 257113363 /nfs/dbraw/zinc/11/33/63/257113363.db2.gz INZCAPAZGOQJKV-KFWWJZLASA-N 2 0 323.462 1.158 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079458356 407054119 /nfs/dbraw/zinc/05/41/19/407054119.db2.gz PNCRZAKMCGNOGH-HUUCEWRRSA-N 2 0 310.486 1.746 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C1CCCCC1 ZINC000170829622 407520211 /nfs/dbraw/zinc/52/02/11/407520211.db2.gz WCNPQWLFMHZVMC-JKSUJKDBSA-N 2 0 310.486 1.842 10 0 DDAERP c1ncc(C[N@@H+](CC2CCOCC2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261721866 407593350 /nfs/dbraw/zinc/59/33/50/407593350.db2.gz NMOPAFSVEKBFDJ-KRWDZBQOSA-N 2 0 304.438 1.847 10 0 DDAERP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)nc2ccccn12 ZINC000261910029 407667307 /nfs/dbraw/zinc/66/73/07/407667307.db2.gz IVJXJCIOLRFJGR-BBWFWOEESA-N 2 0 314.433 1.624 10 0 DDAERP Cc1nccn1CCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179244874 407762439 /nfs/dbraw/zinc/76/24/39/407762439.db2.gz JVZARAINWBUDSH-INIZCTEOSA-N 2 0 322.497 1.996 10 0 DDAERP O[C@@H]1C[NH2+]C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263281671 408089972 /nfs/dbraw/zinc/08/99/72/408089972.db2.gz UIUPOIFYTWXXOT-DHVPZBTDSA-N 2 0 315.461 1.352 10 0 DDAERP CN(Cc1cncs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121197479 408161981 /nfs/dbraw/zinc/16/19/81/408161981.db2.gz MKXHZPQCVDJCSO-UHFFFAOYSA-N 2 0 305.451 1.936 10 0 DDAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000246419716 408252419 /nfs/dbraw/zinc/25/24/19/408252419.db2.gz LXXFUNNQIGTDBZ-GDBMZVCRSA-N 2 0 306.454 1.350 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246495057 408274524 /nfs/dbraw/zinc/27/45/24/408274524.db2.gz SSKHRBNOPVUGRG-CVEARBPZSA-N 2 0 308.470 1.598 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000247304202 408447197 /nfs/dbraw/zinc/44/71/97/408447197.db2.gz LNOKIVMUHVCEDA-HZPDHXFCSA-N 2 0 310.486 1.890 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CCCC[NH+]1CC ZINC000177505331 408642586 /nfs/dbraw/zinc/64/25/86/408642586.db2.gz RTPDPPZZPJZYGN-CVEARBPZSA-N 2 0 310.486 1.987 10 0 DDAERP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)C1(C)C ZINC000249098177 408688255 /nfs/dbraw/zinc/68/82/55/408688255.db2.gz JATJXXYSYVQCRT-JJRVBVJISA-N 2 0 311.470 1.462 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)C2CCCCC2)CC1 ZINC000191337330 163182335 /nfs/dbraw/zinc/18/23/35/163182335.db2.gz MBFUZMABOMYCPV-QAPCUYQASA-N 2 0 312.498 1.952 10 0 DDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390778449 418754773 /nfs/dbraw/zinc/75/47/73/418754773.db2.gz PAZRYWZKYYXSLO-IRXDYDNUSA-N 2 0 303.450 1.998 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC2CCCC2)CC1 ZINC000105862203 278395191 /nfs/dbraw/zinc/39/51/91/278395191.db2.gz SRAQDTRGDMEBQA-CQSZACIVSA-N 2 0 311.470 1.070 10 0 DDAERP CCN(CC)C(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247378256 279073927 /nfs/dbraw/zinc/07/39/27/279073927.db2.gz VPUQEQSMCOWRHI-LSDHHAIUSA-N 2 0 313.486 1.268 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](CC)C1CC1 ZINC000246408405 281197547 /nfs/dbraw/zinc/19/75/47/281197547.db2.gz RXTMQJRIHDGBFV-HOCLYGCPSA-N 2 0 308.470 1.739 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000170833511 289311726 /nfs/dbraw/zinc/31/17/26/289311726.db2.gz IRLAVSUILXISPP-MRXNPFEDSA-N 2 0 304.438 1.464 10 0 DDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261881114 484259155 /nfs/dbraw/zinc/25/91/55/484259155.db2.gz ZBLRVPIGQBGJSC-CWRNSKLLSA-N 2 0 311.470 1.055 10 0 DDAERP CC[N@@H+]1CCC[C@@H](CN(C)CC(C)(C)[NH3+])[C@@H]1c1cnn(C)c1 ZINC000261938067 484260108 /nfs/dbraw/zinc/26/01/08/484260108.db2.gz MIVOKJWNOQATCR-GOEBONIOSA-N 2 0 307.486 1.862 10 0 DDAERP COc1ccc(C2CCC([NH2+]C[C@@H]3C[NH2+]C[C@H]3O)CC2)cc1 ZINC000262158538 484263482 /nfs/dbraw/zinc/26/34/82/484263482.db2.gz SGKKHRPGQJPYFJ-CXBLAEQGSA-N 2 0 304.434 1.891 10 0 DDAERP Cn1ccnc1C[N@H+](CC[C@@H]1CCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261811355 698439065 /nfs/dbraw/zinc/43/90/65/698439065.db2.gz HRUWVWIIDUEQBT-CVEARBPZSA-N 2 0 318.465 1.791 10 0 DDAERP C[C@@H]([NH3+])Cc1c(N(C)C[C@@H]2CCC[N@@H+]2C)nc2sccn12 ZINC000092678762 185333312 /nfs/dbraw/zinc/33/33/12/185333312.db2.gz JNZJNSVRANXQHF-NEPJUHHUSA-N 2 0 307.467 1.816 10 0 DDAERP COc1cc2c(c(OC)c1)[C@H](C[NH3+])N(C1CC[NH+](C)CC1)C2 ZINC000071683930 191007689 /nfs/dbraw/zinc/00/76/89/191007689.db2.gz HFKXXZGVKRAXSS-HNNXBMFYSA-N 2 0 305.422 1.613 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c(C)o1 ZINC000089026947 192706512 /nfs/dbraw/zinc/70/65/12/192706512.db2.gz MVPYQXWULWOHBX-GFCCVEGCSA-N 2 0 315.439 1.022 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000091470803 193060465 /nfs/dbraw/zinc/06/04/65/193060465.db2.gz XHAXRGRMWVGUIO-ZDUSSCGKSA-N 2 0 313.511 1.980 10 0 DDAERP COCCC[N@H+](CCOC)[C@@H]1CC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093856801 193319481 /nfs/dbraw/zinc/31/94/81/193319481.db2.gz KZMOZAMNSBVLKH-HZPDHXFCSA-N 2 0 302.459 1.253 10 0 DDAERP CCC[NH2+][C@@]1(CO)CC[C@H]([N@H+](CCCOC)CCOC)C1 ZINC000093856796 193320415 /nfs/dbraw/zinc/32/04/15/193320415.db2.gz NIXIMAFDYVPAJQ-HOTGVXAUSA-N 2 0 302.459 1.255 10 0 DDAERP C[C@H](C[NH3+])N1CC[NH+]([C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094364655 193365634 /nfs/dbraw/zinc/36/56/34/193365634.db2.gz AXGVNTXGSAYJHS-CABCVRRESA-N 2 0 313.511 1.396 10 0 DDAERP COCC[N@H+](CCC[NH3+])[C@H]1CCOC2(CCSCC2)C1 ZINC000094364639 193365664 /nfs/dbraw/zinc/36/56/64/193365664.db2.gz BWIJPOZQZATGPX-AWEZNQCLSA-N 2 0 302.484 1.728 10 0 DDAERP C[NH2+]C1CCC([N@H+](C)[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634029 193385022 /nfs/dbraw/zinc/38/50/22/193385022.db2.gz XYEAKPHBBPXIIL-WUCCLRPBSA-N 2 0 302.484 1.805 10 0 DDAERP CCC[C@H](C(N)=S)[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC000109470337 194266840 /nfs/dbraw/zinc/26/68/40/194266840.db2.gz AHRJYJQJEJXRTG-CQSZACIVSA-N 2 0 300.516 1.401 10 0 DDAERP CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1 ZINC000111141363 194394719 /nfs/dbraw/zinc/39/47/19/194394719.db2.gz FAHLCZLFBIDRFW-UHFFFAOYSA-N 2 0 313.467 1.368 10 0 DDAERP CC[NH2+][C@@H](C)CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000061272767 184167055 /nfs/dbraw/zinc/16/70/55/184167055.db2.gz YUOJXFFPCIQIGM-HNNXBMFYSA-N 3 0 300.491 1.107 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3c2OCO3)CC1 ZINC000121097928 195293891 /nfs/dbraw/zinc/29/38/91/195293891.db2.gz WNOBIFPULHJBKT-CQSZACIVSA-N 2 0 320.433 1.940 10 0 DDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963876 407096542 /nfs/dbraw/zinc/09/65/42/407096542.db2.gz PSGLIMHEUBSNLC-ROUUACIJSA-N 2 0 306.450 1.838 10 0 DDAERP CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000261962629 407691274 /nfs/dbraw/zinc/69/12/74/407691274.db2.gz PKORBGQYZPUUSS-LSDHHAIUSA-N 2 0 321.469 1.699 10 0 DDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262022390 407714056 /nfs/dbraw/zinc/71/40/56/407714056.db2.gz OWQDAAZBSCVWMG-HLPPOEQASA-N 2 0 311.470 1.223 10 0 DDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262069033 407731327 /nfs/dbraw/zinc/73/13/27/407731327.db2.gz SGFCHPNYSDUPOB-GDBMZVCRSA-N 2 0 311.470 1.369 10 0 DDAERP Cc1nccn1CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179244865 407762698 /nfs/dbraw/zinc/76/26/98/407762698.db2.gz JVZARAINWBUDSH-MRXNPFEDSA-N 2 0 322.497 1.996 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000262302929 407789666 /nfs/dbraw/zinc/78/96/66/407789666.db2.gz OCKJZRQNZDKMEN-PVAVHDDUSA-N 2 0 319.449 1.377 10 0 DDAERP CC(C)N1CC[C@@H]([N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1=O ZINC000245480369 407997083 /nfs/dbraw/zinc/99/70/83/407997083.db2.gz XFOVWNJCAZNSBS-GOEBONIOSA-N 2 0 311.470 1.020 10 0 DDAERP CC[C@H]1CN(c2cc(NCC3CC3)ncn2)CC[N@@H+]1CCOC ZINC000119535406 408089581 /nfs/dbraw/zinc/08/95/81/408089581.db2.gz TVSLMQLSKMGPIF-HNNXBMFYSA-N 2 0 319.453 1.846 10 0 DDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)[C@@H](C)C1 ZINC000246559250 408293211 /nfs/dbraw/zinc/29/32/11/408293211.db2.gz XATSDZVKLFQPID-XHSDSOJGSA-N 2 0 303.454 1.765 10 0 DDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)C[C@@H]2CCC[NH+]2CC)C1 ZINC000176322466 408339818 /nfs/dbraw/zinc/33/98/18/408339818.db2.gz MWGSZVTWIPIPLH-HOTGVXAUSA-N 2 0 310.486 1.844 10 0 DDAERP CC1CC[NH+](CCCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171901087 162245778 /nfs/dbraw/zinc/24/57/78/162245778.db2.gz CQQFQNMHGMYSKD-KRWDZBQOSA-N 2 0 322.497 1.988 10 0 DDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000247317035 408450392 /nfs/dbraw/zinc/45/03/92/408450392.db2.gz KSWXBDFMCGOLBH-HZPDHXFCSA-N 2 0 312.502 1.946 10 0 DDAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000247505489 408483388 /nfs/dbraw/zinc/48/33/88/408483388.db2.gz VJLOKSKFFDCBMB-VQHPVUNQSA-N 2 0 322.497 1.985 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000177170777 408541389 /nfs/dbraw/zinc/54/13/89/408541389.db2.gz DRHSUQKRUVGYSS-UONOGXRCSA-N 2 0 320.441 1.145 10 0 DDAERP C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)C1C[NH2+]C1 ZINC000262359976 163813908 /nfs/dbraw/zinc/81/39/08/163813908.db2.gz KFZSHXKTWVBEIH-ZDUSSCGKSA-N 2 0 314.433 1.997 10 0 DDAERP Cc1csc(N2CCC([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000305166637 409711918 /nfs/dbraw/zinc/71/19/18/409711918.db2.gz YQNFTGCVZHQQAJ-HNNXBMFYSA-N 2 0 324.494 1.467 10 0 DDAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2C[NH2+]C2)C1 ZINC000263272860 287355648 /nfs/dbraw/zinc/35/56/48/287355648.db2.gz IHIDTMGUIICKDB-CQSZACIVSA-N 2 0 301.434 1.754 10 0 DDAERP CN1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000665283713 424774232 /nfs/dbraw/zinc/77/42/32/424774232.db2.gz SUDRHOQKISPOIA-OALUTQOASA-N 2 0 316.493 1.534 10 0 DDAERP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000247216510 282039359 /nfs/dbraw/zinc/03/93/59/282039359.db2.gz BIEIEJBYJYQVOW-RYRKJORJSA-N 2 0 322.497 1.987 10 0 DDAERP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(-c2ccnn2C)c1 ZINC000262093676 484262756 /nfs/dbraw/zinc/26/27/56/484262756.db2.gz HJFBFWUBWUHUOD-YOEHRIQHSA-N 2 0 300.406 1.065 10 0 DDAERP C[NH+](C)C[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccccc1 ZINC000261851179 698441253 /nfs/dbraw/zinc/44/12/53/698441253.db2.gz DOFMNUPMBSIDIJ-INIZCTEOSA-N 2 0 305.422 1.174 10 0 DDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COCc3ccccc3)C[C@@H]2C1 ZINC000309939262 698668739 /nfs/dbraw/zinc/66/87/39/698668739.db2.gz ZBNSFHNKFPNWPH-FGTMMUONSA-N 2 0 304.434 1.448 10 0 DDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]nc3C)C2)[C@@H]1C(C)C ZINC000888097737 709212714 /nfs/dbraw/zinc/21/27/14/709212714.db2.gz NQTPUTZNZFGZNF-NCOADZHNSA-N 2 0 306.454 1.678 10 0 DDAERP C[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000181687702 539238064 /nfs/dbraw/zinc/23/80/64/539238064.db2.gz HFJMFFHVWVGOGH-HZPDHXFCSA-N 2 0 323.456 1.644 10 0 DDAERP C[NH+](C)[C@H]1CCCN(c2cc(N[C@H]3CCCOC3)ncn2)C1 ZINC000328621461 354548356 /nfs/dbraw/zinc/54/83/56/354548356.db2.gz AMVDCEHZCDCEIH-KBPBESRZSA-N 2 0 305.426 1.598 10 0 DDAERP C[NH+](C)CCN1C(N)=[NH+]C[C@@H]1c1ccc(Br)s1 ZINC000093374746 193240842 /nfs/dbraw/zinc/24/08/42/193240842.db2.gz SJSYELPYWZTTTO-MRVPVSSYSA-N 2 0 317.256 1.744 10 0 DDAERP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)NS(C)(=O)=O ZINC000093472367 193257537 /nfs/dbraw/zinc/25/75/37/193257537.db2.gz POKSRKRMHNSBMA-MELADBBJSA-N 2 0 317.499 1.215 10 0 DDAERP CC(C)(CN1CCC[NH2+]C2(CCCCC2)C1)S(C)(=O)=O ZINC000093525747 193264091 /nfs/dbraw/zinc/26/40/91/193264091.db2.gz OEFAEZMDFHFRSZ-UHFFFAOYSA-N 2 0 302.484 1.808 10 0 DDAERP CC1(C)CCSC[C@@H]1[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000094484834 193372866 /nfs/dbraw/zinc/37/28/66/193372866.db2.gz YYFURPOZCOOBDA-KGLIPLIRSA-N 2 0 311.495 1.414 10 0 DDAERP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020300267 182203789 /nfs/dbraw/zinc/20/37/89/182203789.db2.gz GNBNMXOBFHKIGT-CHWSQXEVSA-N 2 0 300.447 1.321 10 0 DDAERP C[NH+]1CCN([C@H](C[NH3+])c2ccccc2OC(F)(F)F)CC1 ZINC000021515629 182277265 /nfs/dbraw/zinc/27/72/65/182277265.db2.gz SYQLTJKUJAZJBS-GFCCVEGCSA-N 2 0 303.328 1.832 10 0 DDAERP C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000121113780 248272510 /nfs/dbraw/zinc/27/25/10/248272510.db2.gz KBJZSKNJDPAOJK-QLFBSQMISA-N 2 0 310.486 1.841 10 0 DDAERP CCC[NH+]1CCC(C[NH3+])(N(CCCOC)CCOC)CC1 ZINC000042420948 183267381 /nfs/dbraw/zinc/26/73/81/183267381.db2.gz FZBOQYMTRODIQS-UHFFFAOYSA-N 2 0 301.475 1.175 10 0 DDAERP CC1CC[NH+](CCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105090814 194072258 /nfs/dbraw/zinc/07/22/58/194072258.db2.gz YNPOUJWEIGNKFX-KRWDZBQOSA-N 2 0 322.497 1.988 10 0 DDAERP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862310 194150314 /nfs/dbraw/zinc/15/03/14/194150314.db2.gz AUNBRDCGIUKTKT-HUUCEWRRSA-N 2 0 313.486 1.172 10 0 DDAERP CCCCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862473 194150584 /nfs/dbraw/zinc/15/05/84/194150584.db2.gz XKECUIXLZGHHQQ-HUUCEWRRSA-N 2 0 313.486 1.316 10 0 DDAERP CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049641132 183750416 /nfs/dbraw/zinc/75/04/16/183750416.db2.gz UKTAWPDRVONKQA-CABCVRRESA-N 2 0 319.515 1.416 10 0 DDAERP C[C@@H]1CN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)CC[N@@H+]1C ZINC000110707353 194353265 /nfs/dbraw/zinc/35/32/65/194353265.db2.gz RLKMAABQIUDIQS-MFKMUULPSA-N 2 0 311.813 1.704 10 0 DDAERP COc1ccc([C@@H](C[NH3+])N(C)CC[NH+](C)C)c(Cl)c1OC ZINC000111132639 194394695 /nfs/dbraw/zinc/39/46/95/194394695.db2.gz LKTLFACWVWJXLB-GFCCVEGCSA-N 2 0 315.845 1.850 10 0 DDAERP O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2CN1CC[NH+]1CCCC1 ZINC000299841977 257103599 /nfs/dbraw/zinc/10/35/99/257103599.db2.gz GZAZWYWEQLMDJF-MSOLQXFVSA-N 2 0 313.445 1.673 10 0 DDAERP Cc1[nH+]c(CN2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)c2ccccn12 ZINC000067935344 407290970 /nfs/dbraw/zinc/29/09/70/407290970.db2.gz DHOKMSLZOLBNKC-CJNGLKHVSA-N 2 0 315.421 1.069 10 0 DDAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261936255 407678409 /nfs/dbraw/zinc/67/84/09/407678409.db2.gz WVVDGQDKFSQGDR-HOTGVXAUSA-N 2 0 323.481 1.607 10 0 DDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000263270685 408084694 /nfs/dbraw/zinc/08/46/94/408084694.db2.gz SDOLIRQLIJMZRY-YOEHRIQHSA-N 2 0 323.868 1.474 10 0 DDAERP CC[NH+](CC)[C@H](CNC(=O)C1C[NH2+]C1)c1cccc(OC)c1 ZINC000263279825 408087862 /nfs/dbraw/zinc/08/78/62/408087862.db2.gz JKZNQIHWTFVRDT-MRXNPFEDSA-N 2 0 305.422 1.414 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2CCC[NH+]2CC)C1 ZINC000176322448 408338742 /nfs/dbraw/zinc/33/87/42/408338742.db2.gz MWGSZVTWIPIPLH-CVEARBPZSA-N 2 0 310.486 1.844 10 0 DDAERP C[NH+](C)CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000172192305 162263682 /nfs/dbraw/zinc/26/36/82/162263682.db2.gz VHOKOZLIPQMLRA-CABCVRRESA-N 2 0 310.486 1.842 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247336969 408454045 /nfs/dbraw/zinc/45/40/45/408454045.db2.gz NGSVKPKYOROZMK-FPCVCCKLSA-N 2 0 310.486 1.887 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247560475 408492670 /nfs/dbraw/zinc/49/26/70/408492670.db2.gz ZZXMKBPFCSTWKN-BZUAXINKSA-N 2 0 308.470 1.596 10 0 DDAERP CCC(CC)(CNC(=O)[C@@H]([NH3+])COC)[NH2+][C@H](C)c1ccccc1 ZINC000262384391 163819403 /nfs/dbraw/zinc/81/94/03/163819403.db2.gz YGFDTLQQGFZGLJ-ZBFHGGJFSA-N 2 0 321.465 1.986 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389971585 418752207 /nfs/dbraw/zinc/75/22/07/418752207.db2.gz CGYOHVNLVDPWDQ-YALNPMBYSA-N 2 0 301.434 1.479 10 0 DDAERP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000245712689 277060684 /nfs/dbraw/zinc/06/06/84/277060684.db2.gz ZROLFYYAKDRQRJ-RTBURBONSA-N 2 0 317.477 1.822 10 0 DDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170832886 289186902 /nfs/dbraw/zinc/18/69/02/289186902.db2.gz OKNIMTKIUHHHKL-SJORKVTESA-N 2 0 318.465 1.505 10 0 DDAERP C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)C1C[NH2+]C1 ZINC000262447530 289349147 /nfs/dbraw/zinc/34/91/47/289349147.db2.gz VMCNWXGWBWTUBW-AWEZNQCLSA-N 2 0 315.461 1.795 10 0 DDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000261733293 484255660 /nfs/dbraw/zinc/25/56/60/484255660.db2.gz LDLIMGGHMGEYQL-HUUCEWRRSA-N 2 0 309.454 1.123 10 0 DDAERP NC(=O)C1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716656130 699283493 /nfs/dbraw/zinc/28/34/93/699283493.db2.gz QWLYASTUHDJTPA-BSQPYMJMSA-N 2 0 313.445 1.893 10 0 DDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]nc3C)C2)[C@@H]1C(C)C ZINC000888097740 709212780 /nfs/dbraw/zinc/21/27/80/709212780.db2.gz NQTPUTZNZFGZNF-WCXIOVBPSA-N 2 0 306.454 1.678 10 0 DDAERP CC[N@@H+]1CC[C@@H](CNc2nc(NN)[nH+]cc2Br)C1 ZINC000087854745 185233578 /nfs/dbraw/zinc/23/35/78/185233578.db2.gz UORFQFQLBNCGPF-QMMMGPOBSA-N 2 0 315.219 1.278 10 0 DDAERP CCCN(CC[NH+](C)C)c1nc(NN)[nH+]cc1Br ZINC000087868742 185234096 /nfs/dbraw/zinc/23/40/96/185234096.db2.gz PSWCZKWLQMJFIK-UHFFFAOYSA-N 2 0 317.235 1.303 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000220940466 539265005 /nfs/dbraw/zinc/26/50/05/539265005.db2.gz KUOGODJEKVZAGG-DGCLKSJQSA-N 2 0 307.360 1.471 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c(C)o1 ZINC000092679176 185333287 /nfs/dbraw/zinc/33/32/87/185333287.db2.gz VRXPYXJYTITIDT-LBPRGKRZSA-N 2 0 315.439 1.022 10 0 DDAERP CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)c1cccc(F)c1C[NH3+] ZINC000070394721 190885041 /nfs/dbraw/zinc/88/50/41/190885041.db2.gz RCHLNLKYXRNDFQ-CYBMUJFWSA-N 2 0 317.430 1.149 10 0 DDAERP C[NH+](C)Cc1cccc(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000172047139 198030180 /nfs/dbraw/zinc/03/01/80/198030180.db2.gz QFXARRWMVIUJOL-INIZCTEOSA-N 2 0 320.437 1.543 10 0 DDAERP Cc1oc(C)c(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1C[NH3+] ZINC000091427553 193054476 /nfs/dbraw/zinc/05/44/76/193054476.db2.gz QGJKILCQWJAZTK-LBPRGKRZSA-N 2 0 315.439 1.070 10 0 DDAERP CCC[N@H+](Cc1cc(=O)n2ncsc2n1)CC(C)(C)C[NH3+] ZINC000093891910 193324083 /nfs/dbraw/zinc/32/40/83/193324083.db2.gz MDISYWANSHHOTO-UHFFFAOYSA-N 2 0 309.439 1.348 10 0 DDAERP C[NH+](C)CCN1CCN([C@@]2(C[NH3+])CSCC(C)(C)C2)CC1 ZINC000094489508 193373401 /nfs/dbraw/zinc/37/34/01/193373401.db2.gz QTVJUUKMGQNOGZ-INIZCTEOSA-N 2 0 314.543 1.026 10 0 DDAERP CC[C@H]([NH3+])c1cccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000043412212 183361041 /nfs/dbraw/zinc/36/10/41/183361041.db2.gz OQIGWUHVAUEMQW-AWEZNQCLSA-N 2 0 313.467 1.715 10 0 DDAERP Cc1ccc(C[N@H+]2C[C@H]3OCCN(CC[NH+](C)C)[C@H]3C2)s1 ZINC000247945333 257114319 /nfs/dbraw/zinc/11/43/19/257114319.db2.gz AUNPDQLVULHEMD-JKSUJKDBSA-N 2 0 309.479 1.503 10 0 DDAERP C[NH+](C)CCN1CCO[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000503719134 257208987 /nfs/dbraw/zinc/20/89/87/257208987.db2.gz YZPABFKWOHDFQF-IAGOWNOFSA-N 2 0 307.413 1.272 10 0 DDAERP COc1c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)nn1C ZINC000261808995 286183575 /nfs/dbraw/zinc/18/35/75/286183575.db2.gz WQDMWNNEXWLXTR-WBVHZDCISA-N 2 0 314.433 1.911 10 0 DDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000171048336 407582764 /nfs/dbraw/zinc/58/27/64/407582764.db2.gz NZBDJDIAJJJISX-HNNXBMFYSA-N 2 0 310.486 1.987 10 0 DDAERP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261811367 407622597 /nfs/dbraw/zinc/62/25/97/407622597.db2.gz HSCIKBAGXNPMKW-SFHVURJKSA-N 2 0 302.466 1.835 10 0 DDAERP COc1ccc([C@@H](C)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262063757 407728815 /nfs/dbraw/zinc/72/88/15/407728815.db2.gz AOWLUYLOTVALOX-DOTOQJQBSA-N 2 0 303.450 1.778 10 0 DDAERP CC[NH+](CC)CC1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262328653 407799568 /nfs/dbraw/zinc/79/95/68/407799568.db2.gz SEGTYJJTXNLZNQ-UHFFFAOYSA-N 2 0 311.470 1.322 10 0 DDAERP CC1CC[NH+](CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246793970 408342551 /nfs/dbraw/zinc/34/25/51/408342551.db2.gz BNQLBBSCDQZHEB-CVEARBPZSA-N 2 0 308.470 1.596 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000247087862 408405682 /nfs/dbraw/zinc/40/56/82/408405682.db2.gz JKQDIWQDUUBFCL-IIAWOOMASA-N 2 0 308.470 1.499 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247278247 408442608 /nfs/dbraw/zinc/44/26/08/408442608.db2.gz KETJWCOQHHFIHC-OAGGEKHMSA-N 2 0 310.486 1.841 10 0 DDAERP C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309876210 409789307 /nfs/dbraw/zinc/78/93/07/409789307.db2.gz IFDHYSLNUXAATK-FUHWJXTLSA-N 2 0 301.434 1.767 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC[C@@H](O)C[NH+](C)C1CC1 ZINC000381845418 418729669 /nfs/dbraw/zinc/72/96/69/418729669.db2.gz AKCGUQAMASWLBF-MAUKXSAKSA-N 2 0 305.466 1.552 10 0 DDAERP O[C@]1(CN[C@H]2CCC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000422975472 227291196 /nfs/dbraw/zinc/29/11/96/227291196.db2.gz GVAKHYMHXOCEAV-ROUUACIJSA-N 2 0 303.450 1.355 10 0 DDAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261827194 276327796 /nfs/dbraw/zinc/32/77/96/276327796.db2.gz OMENIVGHJAGJPV-BZUAXINKSA-N 2 0 311.470 1.321 10 0 DDAERP CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247169794 277384681 /nfs/dbraw/zinc/38/46/81/277384681.db2.gz KPTFYVDIWJFMCC-WBVHZDCISA-N 2 0 322.497 1.985 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000173999506 279125574 /nfs/dbraw/zinc/12/55/74/279125574.db2.gz YNGKFBISWDQPOS-OAGGEKHMSA-N 2 0 310.486 1.841 10 0 DDAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261903769 297226355 /nfs/dbraw/zinc/22/63/55/297226355.db2.gz RZDMESQBCFAJGR-ZIAGYGMSSA-N 2 0 311.470 1.367 10 0 DDAERP COc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261908025 698444312 /nfs/dbraw/zinc/44/43/12/698444312.db2.gz IQGZROPTJYAWFC-ZJPYXAASSA-N 2 0 320.433 1.475 10 0 DDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3[nH]ncc3C)C2)[C@H]1C(C)C ZINC000888097158 709212641 /nfs/dbraw/zinc/21/26/41/709212641.db2.gz CQAQUUQKQVVAQC-DZUCGIPZSA-N 2 0 306.454 1.678 10 0 DDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079253780 185162589 /nfs/dbraw/zinc/16/25/89/185162589.db2.gz FXHFKLWHUWQDDU-HUUCEWRRSA-N 2 0 300.491 1.992 10 0 DDAERP C[NH+](C)CCN[C@@H](C[NH3+])c1cc(Cl)c2c(c1)OCCCO2 ZINC000087912227 185237279 /nfs/dbraw/zinc/23/72/79/185237279.db2.gz VYVIHUICFZKJQS-ZDUSSCGKSA-N 2 0 313.829 1.652 10 0 DDAERP CCOCCOC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164513 185240976 /nfs/dbraw/zinc/24/09/76/185240976.db2.gz YGGRAHRDIDLZAI-WTXIUTQJSA-N 2 0 300.443 1.005 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000249759024 282194075 /nfs/dbraw/zinc/19/40/75/282194075.db2.gz KHIVWJMLUXKDMR-JKSUJKDBSA-N 2 0 310.486 1.892 10 0 DDAERP C[N@H+](CCN1CC[NH+](CC(C)(C)O)CC1)Cc1ccc(F)cc1 ZINC000181680301 539238128 /nfs/dbraw/zinc/23/81/28/539238128.db2.gz MQHCQIBUPCINBI-UHFFFAOYSA-N 2 0 323.456 1.646 10 0 DDAERP CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)o1 ZINC000088550743 185257467 /nfs/dbraw/zinc/25/74/67/185257467.db2.gz WYCJFVTWTZEPKG-LBPRGKRZSA-N 2 0 315.439 1.102 10 0 DDAERP Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000248762342 354371309 /nfs/dbraw/zinc/37/13/09/354371309.db2.gz QXMGBDOGJBGHTG-UONOGXRCSA-N 2 0 322.453 1.576 10 0 DDAERP O=C(NCc1ccccc1C[NH+]1CCCCCC1)C1C[NH2+]C1 ZINC000263336394 284008542 /nfs/dbraw/zinc/00/85/42/284008542.db2.gz WHSFHUXMIHEKBE-UHFFFAOYSA-N 2 0 301.434 1.898 10 0 DDAERP [NH3+]C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc2ccccc2c1 ZINC000261611528 203078933 /nfs/dbraw/zinc/07/89/33/203078933.db2.gz BJKSHDPNXLTJGZ-IKGGRYGDSA-N 2 0 313.401 1.462 10 0 DDAERP C[NH+](C)CCN1C(N)=[NH+]C[C@@H]1c1cc(Br)cs1 ZINC000093374736 193240491 /nfs/dbraw/zinc/24/04/91/193240491.db2.gz RLXXYWGOYOKQCU-SECBINFHSA-N 2 0 317.256 1.744 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1cc2c(c(Cl)c1)OCO2 ZINC000093374696 193241006 /nfs/dbraw/zinc/24/10/06/193241006.db2.gz NASVXLOQVFWJBZ-LLVKDONJSA-N 2 0 310.785 1.302 10 0 DDAERP CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596089 193270693 /nfs/dbraw/zinc/27/06/93/193270693.db2.gz ANCZVOKSAATGEQ-AAEUAGOBSA-N 2 0 309.376 1.894 10 0 DDAERP CC[NH+](CC)CC[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093700746 193294724 /nfs/dbraw/zinc/29/47/24/193294724.db2.gz FBBLMJRFNMUVPK-HUUCEWRRSA-N 2 0 319.515 1.368 10 0 DDAERP C[N@H+](Cc1cccc(C[NH3+])c1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634620 193385797 /nfs/dbraw/zinc/38/57/97/193385797.db2.gz UJPMPYPPFBDVKG-CVEARBPZSA-N 2 0 310.463 1.933 10 0 DDAERP CC[NH+]1CCC(N(C)S(=O)(=O)CCC2CC[NH2+]CC2)CC1 ZINC000042681653 183296503 /nfs/dbraw/zinc/29/65/03/183296503.db2.gz WORRMYDCVKNXSZ-UHFFFAOYSA-N 2 0 317.499 1.122 10 0 DDAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)C1 ZINC000062964771 184262967 /nfs/dbraw/zinc/26/29/67/184262967.db2.gz YDARGTLIUXCGRU-UWVGGRQHSA-N 2 0 302.216 1.678 10 0 DDAERP COc1ccc(-c2noc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000261629942 407560450 /nfs/dbraw/zinc/56/04/50/407560450.db2.gz CXVFRANSHYALTD-AEGPPILISA-N 2 0 314.389 1.914 10 0 DDAERP NC(=[NH2+])c1ccc(N2CCN(c3ccc(C(N)=[NH2+])cc3)CC2)cc1 ZINC000001491938 406672813 /nfs/dbraw/zinc/67/28/13/406672813.db2.gz GFDIGDWACCJVOI-UHFFFAOYSA-N 2 0 322.416 1.581 10 0 DDAERP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000111875505 407418971 /nfs/dbraw/zinc/41/89/71/407418971.db2.gz XQIWZANWKZWUDR-DOTOQJQBSA-N 2 0 318.465 1.852 10 0 DDAERP COC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000262306907 407789560 /nfs/dbraw/zinc/78/95/60/407789560.db2.gz OMOZCMJVPXHGPG-GPANFISMSA-N 2 0 311.470 1.319 10 0 DDAERP COc1ccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000262401969 407824984 /nfs/dbraw/zinc/82/49/84/407824984.db2.gz CJFVGEQNHICPRH-VHRBIJSZSA-N 2 0 323.824 1.956 10 0 DDAERP C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263197875 408053258 /nfs/dbraw/zinc/05/32/58/408053258.db2.gz IRNCEPCVZIKWSL-SJORKVTESA-N 2 0 305.466 1.315 10 0 DDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246018143 408121069 /nfs/dbraw/zinc/12/10/69/408121069.db2.gz NIXWTLWHNHWFKY-HUUCEWRRSA-N 2 0 310.486 1.842 10 0 DDAERP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C[N@@H+]1C1CC1 ZINC000246179075 408165506 /nfs/dbraw/zinc/16/55/06/408165506.db2.gz GWMRQRUCYSONFG-HGTKMLMNSA-N 2 0 306.454 1.490 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000246390952 408241271 /nfs/dbraw/zinc/24/12/71/408241271.db2.gz QZZHBGKDGZZNFD-ARFHVFGLSA-N 2 0 308.470 1.739 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000246374080 408233068 /nfs/dbraw/zinc/23/30/68/408233068.db2.gz HTCZBGVGHHFKFO-IRXDYDNUSA-N 2 0 322.497 1.844 10 0 DDAERP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171645014 162233050 /nfs/dbraw/zinc/23/30/50/162233050.db2.gz XYNJUSMZVYUUBE-KRWDZBQOSA-N 2 0 320.481 1.741 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000176841280 408457780 /nfs/dbraw/zinc/45/77/80/408457780.db2.gz KETJWCOQHHFIHC-ARFHVFGLSA-N 2 0 310.486 1.841 10 0 DDAERP C[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192713053 408636203 /nfs/dbraw/zinc/63/62/03/408636203.db2.gz RROVQHFBFNYOIH-YJBOKZPZSA-N 2 0 306.450 1.745 10 0 DDAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C2)[nH+]1 ZINC000195516320 163326963 /nfs/dbraw/zinc/32/69/63/163326963.db2.gz SOYQIQUGXYPPQZ-INIZCTEOSA-N 2 0 316.449 1.992 10 0 DDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638837244 423151856 /nfs/dbraw/zinc/15/18/56/423151856.db2.gz YIUOTHUZBGHLQK-XIRDDKMYSA-N 2 0 301.434 1.480 10 0 DDAERP C[C@H](CCNC(=O)[C@H]1C[NH2+]CCOC1)[N@H+](C)Cc1ccccc1 ZINC000649347142 423783279 /nfs/dbraw/zinc/78/32/79/423783279.db2.gz GUYSLFPKCFVPES-WBVHZDCISA-N 2 0 319.449 1.249 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000261634992 297111840 /nfs/dbraw/zinc/11/18/40/297111840.db2.gz FVFKOXKXINXURQ-DJIMGWMZSA-N 2 0 301.434 1.795 10 0 DDAERP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400479295 302370029 /nfs/dbraw/zinc/37/00/29/302370029.db2.gz VUFDNEPJEVQYGD-WDSOQIARSA-N 2 0 317.477 1.865 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000079269528 185163066 /nfs/dbraw/zinc/16/30/66/185163066.db2.gz DAOGOHUVYZNTSD-HOTGVXAUSA-N 2 0 312.502 1.994 10 0 DDAERP C[NH+](C)[C@@H]1CCCN(c2nc(NN)[nH+]cc2Br)C1 ZINC000087890276 185234694 /nfs/dbraw/zinc/23/46/94/185234694.db2.gz CMILFUPOBCQFEP-MRVPVSSYSA-N 2 0 315.219 1.055 10 0 DDAERP C[C@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(C[NH2+]C2CC2)o1 ZINC000088543192 185256339 /nfs/dbraw/zinc/25/63/39/185256339.db2.gz BARNQPZIQIHBST-LLVKDONJSA-N 2 0 315.439 1.150 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C[NH3+])oc1C ZINC000092680067 185333424 /nfs/dbraw/zinc/33/34/24/185333424.db2.gz WORZYAPPTIDPCZ-GFCCVEGCSA-N 2 0 315.439 1.152 10 0 DDAERP CCC[NH2+]CCCS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092679991 185333536 /nfs/dbraw/zinc/33/35/36/185333536.db2.gz JMESIEIZIIZBNA-AWEZNQCLSA-N 2 0 305.488 1.122 10 0 DDAERP O=S(=O)(CCCC[NH2+]C1CC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000089028350 192708641 /nfs/dbraw/zinc/70/86/41/192708641.db2.gz SZSOTMFWCAAPSX-OAHLLOKOSA-N 2 0 315.483 1.019 10 0 DDAERP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093494913 193259756 /nfs/dbraw/zinc/25/97/56/193259756.db2.gz IAZVBACPEMJQAI-ZNMIVQPWSA-N 2 0 302.484 1.712 10 0 DDAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)CC1 ZINC000093520763 193263023 /nfs/dbraw/zinc/26/30/23/193263023.db2.gz DMNDFYLLGSJMSO-ZDUSSCGKSA-N 2 0 304.500 1.910 10 0 DDAERP C[N@H+](CC[C@@H]1CCCC[NH2+]1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093703095 193295816 /nfs/dbraw/zinc/29/58/16/193295816.db2.gz GJDAWKBZICJJOI-GJZGRUSLSA-N 2 0 317.499 1.122 10 0 DDAERP COCCC[N@H+](CCOC)[C@H]1CC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093856806 193319867 /nfs/dbraw/zinc/31/98/67/193319867.db2.gz FWZDMKFJVULWTD-JKSUJKDBSA-N 2 0 300.443 1.007 10 0 DDAERP CCc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000040508449 183086180 /nfs/dbraw/zinc/08/61/80/183086180.db2.gz MWNWAYCDOPRHGM-OAHLLOKOSA-N 2 0 307.463 1.707 10 0 DDAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)C1 ZINC000062964489 184262886 /nfs/dbraw/zinc/26/28/86/184262886.db2.gz FPBOLEWPWZCNEP-YPMHNXCESA-N 2 0 311.813 1.704 10 0 DDAERP Cc1cc(CN2C[C@@H]3OC[C@@H](C[NH+]4CCCC4)[C@H]3C2)n(C)n1 ZINC000503717844 257208688 /nfs/dbraw/zinc/20/86/88/257208688.db2.gz CJYMHFNECKSPEJ-OIISXLGYSA-N 2 0 304.438 1.271 10 0 DDAERP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)CCOC)C12CCOCC2 ZINC000186242019 286385474 /nfs/dbraw/zinc/38/54/74/286385474.db2.gz YVZPQCXBZWCHMY-JKSUJKDBSA-N 2 0 314.470 1.519 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000105161217 407352481 /nfs/dbraw/zinc/35/24/81/407352481.db2.gz ZUAICBDGVOLJDG-JKSUJKDBSA-N 2 0 308.470 1.598 10 0 DDAERP C[C@@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000106916860 407367022 /nfs/dbraw/zinc/36/70/22/407367022.db2.gz ZAVQBYZNGJTKTB-YOEHRIQHSA-N 2 0 303.450 1.758 10 0 DDAERP Cc1nnc([C@@H]2CC3(CN2CCO)CC[NH+](CC(C)C)CC3)o1 ZINC000257191751 407488106 /nfs/dbraw/zinc/48/81/06/407488106.db2.gz RFIXVAFDUMUVCJ-HNNXBMFYSA-N 2 0 322.453 1.855 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000170826863 407517373 /nfs/dbraw/zinc/51/73/73/407517373.db2.gz JSHMDXFJCYXVNJ-QGZVFWFLSA-N 2 0 318.465 1.854 10 0 DDAERP C[C@@H]1C[NH+](CCOCC[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000178637130 407523657 /nfs/dbraw/zinc/52/36/57/407523657.db2.gz MCXMWBFXCILVFX-OKILXGFUSA-N 2 0 304.525 1.878 10 0 DDAERP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000261811366 407621761 /nfs/dbraw/zinc/62/17/61/407621761.db2.gz HSCIKBAGXNPMKW-GOSISDBHSA-N 2 0 302.466 1.835 10 0 DDAERP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859072 407643462 /nfs/dbraw/zinc/64/34/62/407643462.db2.gz BYLIHXDPXGTPGZ-KZNAEPCWSA-N 2 0 309.498 1.998 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000181279294 407974689 /nfs/dbraw/zinc/97/46/89/407974689.db2.gz JUUYCSRXNYVREZ-RDJZCZTQSA-N 2 0 318.465 1.900 10 0 DDAERP CN1CC[NH2+]C[C@@H]1c1noc(-c2sccc2C[NH+](C)C)n1 ZINC000263184928 408050391 /nfs/dbraw/zinc/05/03/91/408050391.db2.gz HEKUUVMLQPWZCN-LLVKDONJSA-N 2 0 307.423 1.436 10 0 DDAERP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(-c2cnn(C)c2)c1 ZINC000263232508 408066752 /nfs/dbraw/zinc/06/67/52/408066752.db2.gz NOSYTYNCRGXKBQ-WMLDXEAASA-N 2 0 300.406 1.065 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246353077 408231200 /nfs/dbraw/zinc/23/12/00/408231200.db2.gz GGMHJRSWHMUOHT-RBSFLKMASA-N 2 0 310.486 1.887 10 0 DDAERP Brc1cnn(CCC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000310286950 164006206 /nfs/dbraw/zinc/00/62/06/164006206.db2.gz MOSUHBQHDRCHSG-LBPRGKRZSA-N 2 0 301.232 1.767 10 0 DDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638837237 423151362 /nfs/dbraw/zinc/15/13/62/423151362.db2.gz YIUOTHUZBGHLQK-BHYGNILZSA-N 2 0 301.434 1.480 10 0 DDAERP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634763621 422627203 /nfs/dbraw/zinc/62/72/03/422627203.db2.gz ZVDJNQPOOXXVHR-SCTDSRPQSA-N 2 0 313.445 1.767 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658238811 424616513 /nfs/dbraw/zinc/61/65/13/424616513.db2.gz IWLNZWHMKBJVEB-JQHSSLGASA-N 2 0 315.461 1.965 10 0 DDAERP C[NH2+]CC(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246515876 277020210 /nfs/dbraw/zinc/02/02/10/277020210.db2.gz QXFUVVLHNNAHJN-HWWDLCQESA-N 2 0 303.450 1.821 10 0 DDAERP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105103297 277384109 /nfs/dbraw/zinc/38/41/09/277384109.db2.gz QKOHQKDBXQGFBJ-QGZVFWFLSA-N 2 0 322.497 1.987 10 0 DDAERP C[NH+](C)C[C@H](O)C[C@]1(C[NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000310032849 337868254 /nfs/dbraw/zinc/86/82/54/337868254.db2.gz YQLIOGJPEXPIHO-CJNGLKHVSA-N 2 0 315.458 1.275 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000309716516 484379524 /nfs/dbraw/zinc/37/95/24/484379524.db2.gz KYOGCHKQVFMYPS-HYVNUMGLSA-N 2 0 303.450 1.998 10 0 DDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309710737 490732809 /nfs/dbraw/zinc/73/28/09/490732809.db2.gz JFWUYOVQRZBKML-BHYGNILZSA-N 2 0 303.450 1.998 10 0 DDAERP O=C(N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000186572025 697535385 /nfs/dbraw/zinc/53/53/85/697535385.db2.gz LOMPKWSVUGEGJC-RDJZCZTQSA-N 2 0 320.412 1.254 10 0 DDAERP [NH3+]C1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000261553729 698427818 /nfs/dbraw/zinc/42/78/18/698427818.db2.gz SROFBQLSBXKMCZ-MRXNPFEDSA-N 2 0 317.433 1.275 10 0 DDAERP [NH3+]C[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CO1 ZINC000713823069 699267580 /nfs/dbraw/zinc/26/75/80/699267580.db2.gz RFGQBODJCMXVQT-SJORKVTESA-N 2 0 317.433 1.085 10 0 DDAERP CCOCC[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000173212959 539227491 /nfs/dbraw/zinc/22/74/91/539227491.db2.gz PATUYTXDTSRFTC-UHFFFAOYSA-N 2 0 323.456 1.912 10 0 DDAERP CC(C)[NH+]1CCC(NCc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000333593552 535162482 /nfs/dbraw/zinc/16/24/82/535162482.db2.gz PKKGLKSBYSORNJ-UHFFFAOYSA-N 2 0 306.458 1.234 10 0 DDAERP [NH3+]CCCC[NH2+]CCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000034161735 352292296 /nfs/dbraw/zinc/29/22/96/352292296.db2.gz KHRMTYOFPVUXFK-UHFFFAOYSA-N 2 0 308.382 1.433 10 0 DDAERP CCS(=O)(=O)N1CCC([NH2+][C@@H](C)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000093473989 193257251 /nfs/dbraw/zinc/25/72/51/193257251.db2.gz RVKSFADAWWRHTQ-ZFWWWQNUSA-N 2 0 317.499 1.311 10 0 DDAERP C[N@@H+]1CC[C@@]2(C[NH+]=C(N)N2c2ccc(Br)cc2)C1 ZINC000093386816 193242088 /nfs/dbraw/zinc/24/20/88/193242088.db2.gz BWSXBZSOMOIAPP-CYBMUJFWSA-N 2 0 309.211 1.868 10 0 DDAERP CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCN(CCO)CC1 ZINC000043252738 183347275 /nfs/dbraw/zinc/34/72/75/183347275.db2.gz QWQORGXUZAJWAA-FZMZJTMJSA-N 2 0 317.886 1.790 10 0 DDAERP C[NH2+][C@H](C)c1cccc(S(=O)(=O)NCC[N@H+](C)C2CC2)c1 ZINC000062010785 184201210 /nfs/dbraw/zinc/20/12/10/184201210.db2.gz JWUYKBSOBKWMQQ-GFCCVEGCSA-N 2 0 311.451 1.340 10 0 DDAERP C[NH2+]Cc1cc(Br)cnc1N1CC[C@H]([NH+](C)C)C1 ZINC000062971251 184263706 /nfs/dbraw/zinc/26/37/06/184263706.db2.gz NWESUDFXQWBJQB-LBPRGKRZSA-N 2 0 313.243 1.704 10 0 DDAERP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)CCOC)C12CCOCC2 ZINC000186242052 286280456 /nfs/dbraw/zinc/28/04/56/286280456.db2.gz YVZPQCXBZWCHMY-HZPDHXFCSA-N 2 0 314.470 1.519 10 0 DDAERP C[NH2+]C[C@@H](C)C[NH2+]CCCCCCC[NH2+]C[C@H](C)C[NH2+]C ZINC000013650043 406864963 /nfs/dbraw/zinc/86/49/63/406864963.db2.gz URYNURIXLTWTKM-IAGOWNOFSA-N 4 0 300.535 1.827 10 0 DDAERP CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]([NH3+])C1CCOCC1)C2 ZINC000261886094 407657986 /nfs/dbraw/zinc/65/79/86/407657986.db2.gz VBPXXMDADCDMLN-HNNXBMFYSA-N 2 0 320.437 1.182 10 0 DDAERP CCOCCN1CCN(C(=O)C[N@H+](CC)C2CC2)C[C@H]1CC ZINC000152719912 407675603 /nfs/dbraw/zinc/67/56/03/407675603.db2.gz CTEFIHCDXZMJED-OAHLLOKOSA-N 2 0 311.470 1.430 10 0 DDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262069041 407731193 /nfs/dbraw/zinc/73/11/93/407731193.db2.gz SGFCHPNYSDUPOB-ZBFHGGJFSA-N 2 0 311.470 1.369 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262266614 407779869 /nfs/dbraw/zinc/77/98/69/407779869.db2.gz JXHQJMRGJQKLBC-YOEHRIQHSA-N 2 0 319.449 1.651 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000263279239 408087770 /nfs/dbraw/zinc/08/77/70/408087770.db2.gz ZJQSXHSSQYYIFC-INIZCTEOSA-N 2 0 305.422 1.262 10 0 DDAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246684281 408315976 /nfs/dbraw/zinc/31/59/76/408315976.db2.gz HRIROBZTJPMMPP-JKSUJKDBSA-N 2 0 309.454 1.086 10 0 DDAERP CC(C)[N@@H+]1C[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000247531629 408488465 /nfs/dbraw/zinc/48/84/65/408488465.db2.gz ZXPWDTSKHVYNPJ-XHSDSOJGSA-N 2 0 310.486 1.889 10 0 DDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000247381420 408462159 /nfs/dbraw/zinc/46/21/59/408462159.db2.gz PTEGKTKFSUSESM-GOEBONIOSA-N 2 0 310.486 1.746 10 0 DDAERP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000194944097 408807234 /nfs/dbraw/zinc/80/72/34/408807234.db2.gz BUJUAFNDQJTJEP-INIZCTEOSA-N 2 0 310.486 1.892 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+](CC)CC ZINC000173312416 287220553 /nfs/dbraw/zinc/22/05/53/287220553.db2.gz DEPBWTOMALYCAH-HZPDHXFCSA-N 2 0 310.486 1.987 10 0 DDAERP C[NH+](C)CCOCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000231675764 263550867 /nfs/dbraw/zinc/55/08/67/263550867.db2.gz HWYXNXIGUHPSRJ-ZDUSSCGKSA-N 2 0 301.431 1.164 10 0 DDAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)CC[NH3+] ZINC000246187250 297032571 /nfs/dbraw/zinc/03/25/71/297032571.db2.gz CUSPSQFNRXQZCR-HWWDLCQESA-N 2 0 303.450 1.950 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261899942 297095538 /nfs/dbraw/zinc/09/55/38/297095538.db2.gz ORWAOHVJJCBIEI-VFCJXBEMSA-N 2 0 321.465 1.214 10 0 DDAERP C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000571991894 308207599 /nfs/dbraw/zinc/20/75/99/308207599.db2.gz AXQMOEMXMBAKOB-QXAKKESOSA-N 2 0 317.477 1.601 10 0 DDAERP [NH2+]=C(NCCNC(=[NH2+])NCc1ccccc1)NCc1ccccc1 ZINC000584652520 337381105 /nfs/dbraw/zinc/38/11/05/337381105.db2.gz OEBBZKMWGFNVDQ-UHFFFAOYSA-N 2 0 324.432 1.615 10 0 DDAERP O=C(N1CC[N@@H+]2CCC[C@H]2C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000193879968 484126574 /nfs/dbraw/zinc/12/65/74/484126574.db2.gz KTXZIIBFWJKJCZ-KRWDZBQOSA-N 2 0 313.445 1.614 10 0 DDAERP CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000131783759 696808880 /nfs/dbraw/zinc/80/88/80/696808880.db2.gz SODFPEQNPPTVTO-HNNXBMFYSA-N 2 0 319.405 1.661 10 0 DDAERP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554197 698427872 /nfs/dbraw/zinc/42/78/72/698427872.db2.gz UAXUXBAJMMZESG-ZACQAIPSSA-N 2 0 301.434 1.847 10 0 DDAERP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000092954296 185350360 /nfs/dbraw/zinc/35/03/60/185350360.db2.gz QPPZGEMQHRRPHB-DZGCQCFKSA-N 2 0 307.463 1.780 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])CCOCC1)c1ccc(F)cc1 ZINC000261919511 282289621 /nfs/dbraw/zinc/28/96/21/282289621.db2.gz UTZUWJGAKQTBNE-AWEZNQCLSA-N 2 0 309.385 1.053 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3nccn32)CC1 ZINC000180093927 199116306 /nfs/dbraw/zinc/11/63/06/199116306.db2.gz MEQDGSNISVNTMM-OAHLLOKOSA-N 2 0 316.449 1.859 10 0 DDAERP CS(=O)(=O)c1ccc(C[NH2+]CC2CCC(C[NH3+])CC2)cc1 ZINC000093426340 193249443 /nfs/dbraw/zinc/24/94/43/193249443.db2.gz VJMDVKKOLBRCFF-UHFFFAOYSA-N 2 0 310.463 1.945 10 0 DDAERP C[C@@H](C[NH3+])N1CC[NH+]([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094364652 193365631 /nfs/dbraw/zinc/36/56/31/193365631.db2.gz AXGVNTXGSAYJHS-LSDHHAIUSA-N 2 0 313.511 1.396 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000094364775 193365785 /nfs/dbraw/zinc/36/57/85/193365785.db2.gz PJYDRWKNHZYYKQ-AWEZNQCLSA-N 2 0 314.495 1.871 10 0 DDAERP [NH3+]CCCCN1CC[NH+]([C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094364424 193365992 /nfs/dbraw/zinc/36/59/92/193365992.db2.gz HNJQDSOCWSHSLP-CVEARBPZSA-N 2 0 313.511 1.398 10 0 DDAERP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000111875499 407418892 /nfs/dbraw/zinc/41/88/92/407418892.db2.gz XQIWZANWKZWUDR-RDJZCZTQSA-N 2 0 318.465 1.852 10 0 DDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261911210 407665689 /nfs/dbraw/zinc/66/56/89/407665689.db2.gz JAGOYGIXBMJWNN-CWQOZTLDSA-N 2 0 309.498 1.996 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2([NH3+])CCCCC2)CC1 ZINC000261963519 407691190 /nfs/dbraw/zinc/69/11/90/407691190.db2.gz ABRDWLSJGGDQCQ-CQSZACIVSA-N 2 0 311.470 1.199 10 0 DDAERP Cc1nc([C@H]2CCCN(Cc3noc(CN)n3)C2)sc1C ZINC000262181541 407759257 /nfs/dbraw/zinc/75/92/57/407759257.db2.gz IVAWDNDKPPWYKE-NSHDSACASA-N 2 0 307.423 1.981 10 0 DDAERP CC1(C)CC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC(C)(C)[NH2+]1 ZINC000171897214 407791369 /nfs/dbraw/zinc/79/13/69/407791369.db2.gz QBPNTENTTMLRJV-CQSZACIVSA-N 2 0 308.470 1.785 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CCC[NH+]1C ZINC000245840956 408076482 /nfs/dbraw/zinc/07/64/82/408076482.db2.gz JUUYCSRXNYVREZ-DOTOQJQBSA-N 2 0 318.465 1.900 10 0 DDAERP C[NH+](C)Cc1cccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000156562741 408262666 /nfs/dbraw/zinc/26/26/66/408262666.db2.gz KEFUSSDTYDIEPR-MRXNPFEDSA-N 2 0 305.422 1.151 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000176242490 408321829 /nfs/dbraw/zinc/32/18/29/408321829.db2.gz SASITTAXUWHWAZ-CVEARBPZSA-N 2 0 310.486 1.844 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000176465184 408371808 /nfs/dbraw/zinc/37/18/08/408371808.db2.gz YJBAMXRBUPDQBO-PBHICJAKSA-N 2 0 322.497 1.889 10 0 DDAERP C(CCN1CC[NH+]2CCC[C@@H]2C1)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172656165 162291940 /nfs/dbraw/zinc/29/19/40/162291940.db2.gz GFIRWNPSCHNMCG-RTBURBONSA-N 2 0 320.525 1.717 10 0 DDAERP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000247531613 408488891 /nfs/dbraw/zinc/48/88/91/408488891.db2.gz ZXPWDTSKHVYNPJ-BZUAXINKSA-N 2 0 310.486 1.889 10 0 DDAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000176465202 162539975 /nfs/dbraw/zinc/53/99/75/162539975.db2.gz YJBAMXRBUPDQBO-YOEHRIQHSA-N 2 0 322.497 1.889 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc3ccccn23)CC1 ZINC000177308450 408577099 /nfs/dbraw/zinc/57/70/99/408577099.db2.gz LZVITPXUFBNTOL-HNNXBMFYSA-N 2 0 316.449 1.859 10 0 DDAERP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCCO1 ZINC000184686539 408667306 /nfs/dbraw/zinc/66/73/06/408667306.db2.gz BAZHNRRTNAAOLR-BHYGNILZSA-N 2 0 319.449 1.563 10 0 DDAERP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000393636273 418758802 /nfs/dbraw/zinc/75/88/02/418758802.db2.gz VGPOOHVSJMXJBS-GVDBMIGSSA-N 2 0 301.434 1.752 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC000400361838 302369526 /nfs/dbraw/zinc/36/95/26/302369526.db2.gz NXHQBPZJHOVQAN-IHRRRGAJSA-N 2 0 313.442 1.210 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000573593248 308245910 /nfs/dbraw/zinc/24/59/10/308245910.db2.gz LZLIULACBZIRQO-YTQUADARSA-N 2 0 317.477 1.865 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000262170132 698457674 /nfs/dbraw/zinc/45/76/74/698457674.db2.gz AQNYEKZPAJWQIC-PBHICJAKSA-N 2 0 319.449 1.508 10 0 DDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]nc3C)C2)[C@H]1C(C)C ZINC000888097738 709212665 /nfs/dbraw/zinc/21/26/65/709212665.db2.gz NQTPUTZNZFGZNF-QBPKDAKJSA-N 2 0 306.454 1.678 10 0 DDAERP CC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435120 185249905 /nfs/dbraw/zinc/24/99/05/185249905.db2.gz SOCOIOCMWPYGQN-AAEUAGOBSA-N 2 0 309.376 1.894 10 0 DDAERP CC(C)[N@H+](C)CCCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088539432 185255300 /nfs/dbraw/zinc/25/53/00/185255300.db2.gz LIKWXUVUYUIHBS-UHFFFAOYSA-N 2 0 303.428 1.137 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088543094 185256529 /nfs/dbraw/zinc/25/65/29/185256529.db2.gz VMBXQZDVPYXDBI-LLVKDONJSA-N 2 0 303.428 1.008 10 0 DDAERP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176011007 282261694 /nfs/dbraw/zinc/26/16/94/282261694.db2.gz WUNAQKIQLRCZHC-INIZCTEOSA-N 2 0 308.470 1.739 10 0 DDAERP CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1ccsc1C[NH3+] ZINC000089008605 192695254 /nfs/dbraw/zinc/69/52/54/192695254.db2.gz LNPLAMMXYCKHPO-UHFFFAOYSA-N 2 0 319.496 1.415 10 0 DDAERP C[NH2+]Cc1cccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091432457 193055232 /nfs/dbraw/zinc/05/52/32/193055232.db2.gz HWYZNNAOBAJJDW-CQSZACIVSA-N 2 0 311.451 1.121 10 0 DDAERP CCC[NH2+]CCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092023984 193143875 /nfs/dbraw/zinc/14/38/75/193143875.db2.gz FGTGOZYSUBNPPN-CABCVRRESA-N 2 0 317.499 1.265 10 0 DDAERP COC(=O)[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000262102043 284119398 /nfs/dbraw/zinc/11/93/98/284119398.db2.gz VSDVJRKABSPPEL-JZXOWHBKSA-N 2 0 302.418 1.875 10 0 DDAERP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020300269 182204130 /nfs/dbraw/zinc/20/41/30/182204130.db2.gz GNBNMXOBFHKIGT-OLZOCXBDSA-N 2 0 300.447 1.321 10 0 DDAERP C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCCC[NH+](C)C)cc1 ZINC000041681719 183215870 /nfs/dbraw/zinc/21/58/70/183215870.db2.gz JJAHZBNGECFJHJ-CYBMUJFWSA-N 2 0 313.467 1.587 10 0 DDAERP O[C@H](C[NH+]1CCC(C[NH2+]Cc2ncc[nH]2)CC1)c1ccccc1 ZINC000238110178 285349580 /nfs/dbraw/zinc/34/95/80/285349580.db2.gz WIVZOKHFOYTILR-QGZVFWFLSA-N 2 0 314.433 1.945 10 0 DDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261698709 407584214 /nfs/dbraw/zinc/58/42/14/407584214.db2.gz BJNLXQFFJILGSJ-HOCLYGCPSA-N 2 0 311.470 1.511 10 0 DDAERP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170830479 407521441 /nfs/dbraw/zinc/52/14/41/407521441.db2.gz HNMSULYBJCYDDG-MRXNPFEDSA-N 2 0 304.438 1.594 10 0 DDAERP [NH3+]C1(C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC000261820245 407628111 /nfs/dbraw/zinc/62/81/11/407628111.db2.gz KGRBJLFPHYAERE-UHFFFAOYSA-N 2 0 309.454 1.219 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000152389316 407629677 /nfs/dbraw/zinc/62/96/77/407629677.db2.gz FVTQQSMUIUMIDF-SJORKVTESA-N 2 0 320.481 1.763 10 0 DDAERP CCN(Cc1noc(CN)n1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000261725238 407592691 /nfs/dbraw/zinc/59/26/91/407592691.db2.gz LNQJNTRHDOWDOW-LBPRGKRZSA-N 2 0 304.394 1.990 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000130439455 407690079 /nfs/dbraw/zinc/69/00/79/407690079.db2.gz NCAKPWWWGUGQOJ-HZPDHXFCSA-N 2 0 310.486 1.700 10 0 DDAERP C[N@H+](CC1CCOCC1)C1CCN(CCn2cccn2)CC1 ZINC000171828741 407775144 /nfs/dbraw/zinc/77/51/44/407775144.db2.gz XISUKBYSTHGMMH-UHFFFAOYSA-N 2 0 306.454 1.706 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245416437 407969520 /nfs/dbraw/zinc/96/95/20/407969520.db2.gz FCYVTGKZPBXYSQ-JKSUJKDBSA-N 2 0 308.470 1.598 10 0 DDAERP CC1CC[NH+](CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246793987 408341048 /nfs/dbraw/zinc/34/10/48/408341048.db2.gz BNQLBBSCDQZHEB-HZPDHXFCSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172251326 162266825 /nfs/dbraw/zinc/26/68/25/162266825.db2.gz BPYDKJSXJXEFTK-RHSMWYFYSA-N 2 0 320.481 1.739 10 0 DDAERP CC[NH+]1CCC(CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000173508260 162343705 /nfs/dbraw/zinc/34/37/05/162343705.db2.gz MXVNWGYKEYSYRK-QGZVFWFLSA-N 2 0 322.497 1.988 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000247107187 408409977 /nfs/dbraw/zinc/40/99/77/408409977.db2.gz DRHSUQKRUVGYSS-KBPBESRZSA-N 2 0 320.441 1.145 10 0 DDAERP C(CN1CC[NH+]2CCCC[C@H]2C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177769435 408708652 /nfs/dbraw/zinc/70/86/52/408708652.db2.gz LSHAJUKSYISRNF-HDICACEKSA-N 2 0 306.498 1.327 10 0 DDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000249747513 408762754 /nfs/dbraw/zinc/76/27/54/408762754.db2.gz OAAZYHBQECFYDP-JKSUJKDBSA-N 2 0 312.502 1.994 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000247381408 163563873 /nfs/dbraw/zinc/56/38/73/163563873.db2.gz VXLVFUWLXZMODB-APWZRJJASA-N 2 0 320.477 1.615 10 0 DDAERP O[C@]1(CN[C@@H]2CCC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000422975470 227291052 /nfs/dbraw/zinc/29/10/52/227291052.db2.gz GVAKHYMHXOCEAV-MSOLQXFVSA-N 2 0 303.450 1.355 10 0 DDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000176592882 289299736 /nfs/dbraw/zinc/29/97/36/289299736.db2.gz YJEWLLNJUANVBF-BZUAXINKSA-N 2 0 308.470 1.739 10 0 DDAERP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1)C(C)C ZINC000262202567 484265107 /nfs/dbraw/zinc/26/51/07/484265107.db2.gz IFZRMKRXOXUVJT-IAGOWNOFSA-N 2 0 319.449 1.227 10 0 DDAERP C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000261676228 698432300 /nfs/dbraw/zinc/43/23/00/698432300.db2.gz KZMCJZRASFJWIS-SWLSCSKDSA-N 2 0 311.451 1.167 10 0 DDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3[nH]ncc3C)C2)[C@H]1C(C)C ZINC000888097159 709212798 /nfs/dbraw/zinc/21/27/98/709212798.db2.gz CQAQUUQKQVVAQC-MWQQHZPXSA-N 2 0 306.454 1.678 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000171900884 282173705 /nfs/dbraw/zinc/17/37/05/282173705.db2.gz WOAUNMNFXGJIFX-SJORKVTESA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)[NH+](CCNS(=O)(=O)c1ccc(C[NH3+])o1)C(C)C ZINC000088541952 185255608 /nfs/dbraw/zinc/25/56/08/185255608.db2.gz UIMHIKRZHAESPD-UHFFFAOYSA-N 2 0 303.428 1.135 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088543095 185256099 /nfs/dbraw/zinc/25/60/99/185256099.db2.gz VMBXQZDVPYXDBI-NSHDSACASA-N 2 0 303.428 1.008 10 0 DDAERP C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248587791 539272262 /nfs/dbraw/zinc/27/22/62/539272262.db2.gz QNSYGXZIELEXPT-YQQAZPJKSA-N 2 0 323.481 1.212 10 0 DDAERP COc1cc2c(c(OC)c1)[C@@H](C[NH3+])N(CCCC[NH+](C)C)C2 ZINC000071683937 191008314 /nfs/dbraw/zinc/00/83/14/191008314.db2.gz LDNAGYUVSFEQTE-OAHLLOKOSA-N 2 0 307.438 1.861 10 0 DDAERP Cc1ccc(-c2nc(C[NH+]3CCC(C[NH3+])CC3)cc(=O)[nH]2)cc1 ZINC000073696020 191342267 /nfs/dbraw/zinc/34/22/67/191342267.db2.gz HNYIFWDNAMLCDT-UHFFFAOYSA-N 2 0 312.417 1.916 10 0 DDAERP CCC(CC)[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[NH+](C)C ZINC000091138176 193003647 /nfs/dbraw/zinc/00/36/47/193003647.db2.gz QMLBPELYYVUAGA-UONOGXRCSA-N 2 0 301.500 1.564 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N(C)CCC[NH+](C)C)c(F)c1 ZINC000092116183 193163789 /nfs/dbraw/zinc/16/37/89/193163789.db2.gz QEDSNVJQQQQYCY-UHFFFAOYSA-N 2 0 317.430 1.117 10 0 DDAERP [NH3+][C@@H]1C=C[C@@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)C1 ZINC000092205050 193172720 /nfs/dbraw/zinc/17/27/20/193172720.db2.gz YXEOUHJXOYTUJM-ZIAGYGMSSA-N 2 0 305.447 1.686 10 0 DDAERP COCCC[N@H+](CCOC)[C@H]1CC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093856799 193319535 /nfs/dbraw/zinc/31/95/35/193319535.db2.gz KZMOZAMNSBVLKH-JKSUJKDBSA-N 2 0 302.459 1.253 10 0 DDAERP COCC[N@H+](CCC[NH3+])[C@@H]1CCOC2(CCSCC2)C1 ZINC000094364638 193366143 /nfs/dbraw/zinc/36/61/43/193366143.db2.gz BWIJPOZQZATGPX-CQSZACIVSA-N 2 0 302.484 1.728 10 0 DDAERP [NH3+]CCCOC1CC[NH+]([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094384851 193367706 /nfs/dbraw/zinc/36/77/06/193367706.db2.gz HRMXMKSEEREQMF-GDBMZVCRSA-N 2 0 314.495 1.871 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000044565304 183423183 /nfs/dbraw/zinc/42/31/83/183423183.db2.gz FZRLPBCKWSDXDB-AWEZNQCLSA-N 2 0 311.451 1.169 10 0 DDAERP CCC[C@H](C[NH3+])N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000109462093 194265453 /nfs/dbraw/zinc/26/54/53/194265453.db2.gz VVMAHNRDBRUZMH-CYBMUJFWSA-N 2 0 311.392 1.700 10 0 DDAERP [NH3+]Cc1ccccc1S(=O)(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941565 184261906 /nfs/dbraw/zinc/26/19/06/184261906.db2.gz FJGVADDYLHQORG-CQSZACIVSA-N 2 0 309.435 1.004 10 0 DDAERP C[NH+](C)[C@@H]1CCN(c2nc3sccn3c2C[NH2+]C2CC2)C1 ZINC000062967078 184263001 /nfs/dbraw/zinc/26/30/01/184263001.db2.gz ZIKIRYDABRMAQZ-GFCCVEGCSA-N 2 0 305.451 1.788 10 0 DDAERP [NH3+]Cc1c(N2CC[C@@H]([NH+]3CCCCC3)C2)nc2sccn12 ZINC000062981921 184264578 /nfs/dbraw/zinc/26/45/78/184264578.db2.gz RSHBHNVNFIZWGL-GFCCVEGCSA-N 2 0 305.451 1.919 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000170829658 407521578 /nfs/dbraw/zinc/52/15/78/407521578.db2.gz RAAMPMJLDVKUHL-MRXNPFEDSA-N 2 0 310.486 1.987 10 0 DDAERP C[NH+](C)[C@H]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000170829661 407522661 /nfs/dbraw/zinc/52/26/61/407522661.db2.gz RAAMPMJLDVKUHL-INIZCTEOSA-N 2 0 310.486 1.987 10 0 DDAERP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CCOCC1 ZINC000261908875 407666718 /nfs/dbraw/zinc/66/67/18/407666718.db2.gz IQZGXZKPDLLVJN-RBSFLKMASA-N 2 0 314.495 1.645 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000262287238 407785120 /nfs/dbraw/zinc/78/51/20/407785120.db2.gz MMSQYMZHTHJVHZ-CVEARBPZSA-N 2 0 305.422 1.222 10 0 DDAERP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(-c2cnn(C)c2)c1 ZINC000263232506 408068810 /nfs/dbraw/zinc/06/88/10/408068810.db2.gz NOSYTYNCRGXKBQ-PBHICJAKSA-N 2 0 300.406 1.065 10 0 DDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000246423603 408253450 /nfs/dbraw/zinc/25/34/50/408253450.db2.gz MHTWRSBEGCHWBU-IXDOHACOSA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H]3C=CCCC3)CC2)C1 ZINC000171746255 162239905 /nfs/dbraw/zinc/23/99/05/162239905.db2.gz OVOCKYIMYVNKMM-ZWKOTPCHSA-N 2 0 307.482 1.822 10 0 DDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247181544 408423178 /nfs/dbraw/zinc/42/31/78/408423178.db2.gz KZIBRKBEVWTDQX-TWMKSMIVSA-N 2 0 322.497 1.985 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc3ccccn23)CC1 ZINC000177308466 408578228 /nfs/dbraw/zinc/57/82/28/408578228.db2.gz LZVITPXUFBNTOL-OAHLLOKOSA-N 2 0 316.449 1.859 10 0 DDAERP COc1ncccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000193336875 408714294 /nfs/dbraw/zinc/71/42/94/408714294.db2.gz HCARXDPBYYJCRY-AWEZNQCLSA-N 2 0 307.438 1.615 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000179853536 697442310 /nfs/dbraw/zinc/44/23/10/697442310.db2.gz JSKUXBJQIRHDOA-RHSMWYFYSA-N 2 0 319.449 1.238 10 0 DDAERP [NH3+]C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CO1 ZINC000713823064 699267534 /nfs/dbraw/zinc/26/75/34/699267534.db2.gz RFGQBODJCMXVQT-IAGOWNOFSA-N 2 0 317.433 1.085 10 0 DDAERP Cc1cc(N)nc(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000891753147 710285001 /nfs/dbraw/zinc/28/50/01/710285001.db2.gz SYOUICQALDQJCX-HNNXBMFYSA-N 2 0 313.405 1.198 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000171896366 282173644 /nfs/dbraw/zinc/17/36/44/282173644.db2.gz FATKTGBPGJMYMV-KGLIPLIRSA-N 2 0 322.478 1.840 10 0 DDAERP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000183233630 539241454 /nfs/dbraw/zinc/24/14/54/539241454.db2.gz YTMHMIKHYGAUIX-FZKCQIBNSA-N 2 0 300.443 1.317 10 0 DDAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)C1 ZINC000091545490 193071250 /nfs/dbraw/zinc/07/12/50/193071250.db2.gz ZUDSNQMXUVIDPA-KGLIPLIRSA-N 2 0 307.463 1.910 10 0 DDAERP C1[NH2+]CC1N1CC[NH+]([C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094384568 193367818 /nfs/dbraw/zinc/36/78/18/193367818.db2.gz BYEPTFOGBWKNDT-AWEZNQCLSA-N 2 0 311.495 1.021 10 0 DDAERP [NH3+]Cc1ccc(C(F)(F)F)nc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094456809 193371380 /nfs/dbraw/zinc/37/13/80/193371380.db2.gz PQENARPZUUGUHF-LLVKDONJSA-N 2 0 300.328 1.844 10 0 DDAERP CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000636281930 422774889 /nfs/dbraw/zinc/77/48/89/422774889.db2.gz CZGBQKPPPSIVIL-SQCNAZHOSA-N 2 0 318.421 1.271 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CNC(=S)N(CC[NH+](C)C)CC(C)C ZINC000043531539 183370432 /nfs/dbraw/zinc/37/04/32/183370432.db2.gz OAMLZHUGTOLKRX-HNNXBMFYSA-N 2 0 314.543 1.865 10 0 DDAERP C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000049560574 183741875 /nfs/dbraw/zinc/74/18/75/183741875.db2.gz ILVPEFXBIKXSKM-CHWSQXEVSA-N 2 0 313.467 1.586 10 0 DDAERP CN(Cc1ccco1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065434177 184344756 /nfs/dbraw/zinc/34/47/56/184344756.db2.gz MTFAZHLQWSLFEY-RDTXWAMCSA-N 2 0 317.433 1.702 10 0 DDAERP C[NH+](C)CCO[C@@H]1C[N@H+](Cc2cccnc2)[C@H]2CCCO[C@@H]12 ZINC000247975061 257113386 /nfs/dbraw/zinc/11/33/86/257113386.db2.gz IGQZFOLUTYTEPY-GVDBMIGSSA-N 2 0 305.422 1.392 10 0 DDAERP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105100507 407352906 /nfs/dbraw/zinc/35/29/06/407352906.db2.gz XTXIKMXQEKCFCL-MRXNPFEDSA-N 2 0 306.454 1.493 10 0 DDAERP CCC[C@H](C(=O)OCC)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000114802868 407617969 /nfs/dbraw/zinc/61/79/69/407617969.db2.gz HWFRTYISJNFZPZ-GDBMZVCRSA-N 2 0 314.470 1.743 10 0 DDAERP [NH3+]C1(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CCOCC1 ZINC000261922572 407673144 /nfs/dbraw/zinc/67/31/44/407673144.db2.gz VGUMXNBKTHNHRD-UHFFFAOYSA-N 2 0 309.454 1.265 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000171588555 407709559 /nfs/dbraw/zinc/70/95/59/407709559.db2.gz IALISERXIRORQR-QAPCUYQASA-N 2 0 306.450 1.745 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262258737 407776965 /nfs/dbraw/zinc/77/69/65/407776965.db2.gz JGRPESSVJRPGCC-BBRMVZONSA-N 2 0 305.422 1.973 10 0 DDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000263086857 408021161 /nfs/dbraw/zinc/02/11/61/408021161.db2.gz YBHRPMLNQVXXTJ-IVSAIRAKSA-N 2 0 311.470 1.198 10 0 DDAERP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(-c2cnn(C)c2)c1 ZINC000263232509 408067513 /nfs/dbraw/zinc/06/75/13/408067513.db2.gz NOSYTYNCRGXKBQ-YOEHRIQHSA-N 2 0 300.406 1.065 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000246126166 408147547 /nfs/dbraw/zinc/14/75/47/408147547.db2.gz ANGRUYHRELSXEW-LJIGWXMPSA-N 2 0 320.481 1.880 10 0 DDAERP C[NH+](C)[C@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000175940618 408246548 /nfs/dbraw/zinc/24/65/48/408246548.db2.gz NTAPCTXTNUDWPA-INIZCTEOSA-N 2 0 322.428 1.603 10 0 DDAERP CCC[N@H+](CC)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1CC ZINC000175761057 408199748 /nfs/dbraw/zinc/19/97/48/408199748.db2.gz LQOMKJQNEDQYLK-HOTGVXAUSA-N 2 0 310.486 1.987 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000173938373 162379938 /nfs/dbraw/zinc/37/99/38/162379938.db2.gz ZZIVZIDTSYCKED-ZDUSSCGKSA-N 2 0 308.430 1.051 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000247025837 408391562 /nfs/dbraw/zinc/39/15/62/408391562.db2.gz GETJKKVGOKMCME-HOCLYGCPSA-N 2 0 308.470 1.739 10 0 DDAERP CCC[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC000162210698 408678925 /nfs/dbraw/zinc/67/89/25/408678925.db2.gz MNSYCYCBSMHWSS-GOEBONIOSA-N 2 0 311.470 1.334 10 0 DDAERP CN(C(=O)[C@]1(C)CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381885080 418729727 /nfs/dbraw/zinc/72/97/27/418729727.db2.gz PWQASMYVCJAKNA-AEFFLSMTSA-N 2 0 301.434 1.861 10 0 DDAERP CN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381885088 418729736 /nfs/dbraw/zinc/72/97/36/418729736.db2.gz PWQASMYVCJAKNA-SJLPKXTDSA-N 2 0 301.434 1.861 10 0 DDAERP COC[C@]1(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649281427 423718092 /nfs/dbraw/zinc/71/80/92/423718092.db2.gz IATDQUHHLORQER-SFHVURJKSA-N 2 0 319.449 1.393 10 0 DDAERP O[C@H]1[C@H]([NH2+]CCc2cnccn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072426812 275059427 /nfs/dbraw/zinc/05/94/27/275059427.db2.gz FKSRGWYJPSPOMN-MSOLQXFVSA-N 2 0 324.428 1.346 10 0 DDAERP CC[NH+]1CCN([C@H](CN2CC[NH2+]CC2)c2ccc(F)cc2)CC1 ZINC000038275058 337381945 /nfs/dbraw/zinc/38/19/45/337381945.db2.gz CSVFMVXPRUEGJT-GOSISDBHSA-N 2 0 320.456 1.410 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000251840843 484247497 /nfs/dbraw/zinc/24/74/97/484247497.db2.gz QLGBRFHDCWFCJI-NTZNESFSSA-N 2 0 305.344 1.224 10 0 DDAERP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262326351 484269381 /nfs/dbraw/zinc/26/93/81/484269381.db2.gz RVCMOGSXRLEEEM-IRXDYDNUSA-N 2 0 319.449 1.229 10 0 DDAERP C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422973372 533892251 /nfs/dbraw/zinc/89/22/51/533892251.db2.gz BVQVXXDVTKRSHO-SZMVWBNQSA-N 2 0 303.450 1.211 10 0 DDAERP COC1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000261557805 698427905 /nfs/dbraw/zinc/42/79/05/698427905.db2.gz XOLDEPYJWJIXQA-HNNXBMFYSA-N 2 0 319.449 1.392 10 0 DDAERP CCCS(=O)(=O)CCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261620071 698429471 /nfs/dbraw/zinc/42/94/71/698429471.db2.gz CWVPKDCCFNAASX-CVEARBPZSA-N 2 0 310.463 1.486 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262170140 698457810 /nfs/dbraw/zinc/45/78/10/698457810.db2.gz AQNYEKZPAJWQIC-WMLDXEAASA-N 2 0 319.449 1.508 10 0 DDAERP O=C(CC[C@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000262544552 698474179 /nfs/dbraw/zinc/47/41/79/698474179.db2.gz RMNGNBNCEXGXFR-MRXNPFEDSA-N 2 0 309.454 1.089 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711382129 699257117 /nfs/dbraw/zinc/25/71/17/699257117.db2.gz DATZQWHCMJIANF-GDBMZVCRSA-N 2 0 303.450 1.869 10 0 DDAERP CC(C)S(=O)(=O)CCC[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714408021 699271355 /nfs/dbraw/zinc/27/13/55/699271355.db2.gz ZIBJPRRLZKLAOF-UHFFFAOYSA-N 2 0 304.500 1.897 10 0 DDAERP COc1ccc([C@@H](C[NH3+])NCC[NH+](C)C)cc1Br ZINC000087912047 185237218 /nfs/dbraw/zinc/23/72/18/185237218.db2.gz XXJRJXVTRJFSJD-GFCCVEGCSA-N 2 0 316.243 1.609 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000092680047 185333646 /nfs/dbraw/zinc/33/36/46/185333646.db2.gz DVGIJTVYKYUFOD-UONOGXRCSA-N 2 0 305.488 1.119 10 0 DDAERP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236923244 202073715 /nfs/dbraw/zinc/07/37/15/202073715.db2.gz QMWUFWBNGPBNSL-STQMWFEESA-N 2 0 305.426 1.606 10 0 DDAERP CCC[NH2+]CCCCS(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091450496 193057908 /nfs/dbraw/zinc/05/79/08/193057908.db2.gz HEEGELSBPILSLK-CQSZACIVSA-N 2 0 305.488 1.122 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091430482 193055238 /nfs/dbraw/zinc/05/52/38/193055238.db2.gz ICZGRDBHDZZNSC-NSHDSACASA-N 2 0 317.480 1.182 10 0 DDAERP CC[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)CCC[NH+](C)C)c1 ZINC000111141204 194394597 /nfs/dbraw/zinc/39/45/97/194394597.db2.gz YRHMUDNKJNPWAO-HNNXBMFYSA-N 2 0 313.467 1.669 10 0 DDAERP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)C1 ZINC000062968003 184263725 /nfs/dbraw/zinc/26/37/25/184263725.db2.gz OFVRLRYANVYDAJ-AWEZNQCLSA-N 2 0 311.451 1.250 10 0 DDAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CSCN1 ZINC000237685690 257238763 /nfs/dbraw/zinc/23/87/63/257238763.db2.gz VPTKJXJYMDIPGI-AEGPPILISA-N 2 0 320.462 1.071 10 0 DDAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C[NH+]1CCCC1 ZINC000113598035 407519162 /nfs/dbraw/zinc/51/91/62/407519162.db2.gz UWKRRGUTDYQIGI-BZUAXINKSA-N 2 0 308.470 1.596 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000170855555 407531879 /nfs/dbraw/zinc/53/18/79/407531879.db2.gz QEVDNJCWDTVNNH-SJORKVTESA-N 2 0 301.434 1.814 10 0 DDAERP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000262014599 407712557 /nfs/dbraw/zinc/71/25/57/407712557.db2.gz VVIULVNFSFEXFZ-ZACQAIPSSA-N 2 0 309.498 1.998 10 0 DDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262022388 407714731 /nfs/dbraw/zinc/71/47/31/407714731.db2.gz OWQDAAZBSCVWMG-CTASWTNQSA-N 2 0 311.470 1.223 10 0 DDAERP COC[C@H]([NH3+])C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000262342531 407805884 /nfs/dbraw/zinc/80/58/84/407805884.db2.gz IBQWBYTYSREXRH-FMKPAKJESA-N 2 0 319.449 1.233 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCN2CCC(C)CC2)CC1 ZINC000153810048 407907191 /nfs/dbraw/zinc/90/71/91/407907191.db2.gz AOTAWBVIKOXDKI-KRWDZBQOSA-N 2 0 311.514 1.743 10 0 DDAERP CCC[C@@H](C(=O)N1CCN(CCOCC)[C@@H](CC)C1)[NH+](C)C ZINC000245778890 408068984 /nfs/dbraw/zinc/06/89/84/408068984.db2.gz LXNKFYRDRXEWQG-HOTGVXAUSA-N 2 0 313.486 1.676 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2CC)C1 ZINC000246476800 408266656 /nfs/dbraw/zinc/26/66/56/408266656.db2.gz VOYZMEJATMSQQK-IXDOHACOSA-N 2 0 322.497 1.987 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000171904956 162245966 /nfs/dbraw/zinc/24/59/66/162245966.db2.gz RFCAKBHTFWJZHQ-JKSUJKDBSA-N 2 0 308.470 1.596 10 0 DDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000172494076 162277854 /nfs/dbraw/zinc/27/78/54/162277854.db2.gz YUUZICXCFKBHCQ-HZPDHXFCSA-N 2 0 308.470 1.741 10 0 DDAERP CCOCCN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC000246984637 408381230 /nfs/dbraw/zinc/38/12/30/408381230.db2.gz FSFBVYZCDWDFST-HOTGVXAUSA-N 2 0 311.470 1.430 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176588359 408398527 /nfs/dbraw/zinc/39/85/27/408398527.db2.gz PNOJGMLTTVINNB-OWCLPIDISA-N 2 0 310.486 1.985 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000247093640 408406252 /nfs/dbraw/zinc/40/62/52/408406252.db2.gz JNYUQDZNPLOIRJ-GDBMZVCRSA-N 2 0 310.486 1.698 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000247370798 408459774 /nfs/dbraw/zinc/45/97/74/408459774.db2.gz FATKTGBPGJMYMV-KBPBESRZSA-N 2 0 322.478 1.840 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000247510599 408484964 /nfs/dbraw/zinc/48/49/64/408484964.db2.gz PMHFCEUTOIUICM-HOTGVXAUSA-N 2 0 308.470 1.598 10 0 DDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247520419 408485617 /nfs/dbraw/zinc/48/56/17/408485617.db2.gz ZCHSIUHYGQSZGU-BZUAXINKSA-N 2 0 310.486 1.889 10 0 DDAERP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000247563936 408493164 /nfs/dbraw/zinc/49/31/64/408493164.db2.gz VHOKOZLIPQMLRA-LSDHHAIUSA-N 2 0 310.486 1.842 10 0 DDAERP COC[C@]1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000643787879 423343030 /nfs/dbraw/zinc/34/30/30/423343030.db2.gz JXTKMCGPKBPOSV-YJBOKZPZSA-N 2 0 319.449 1.392 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119114701 281090639 /nfs/dbraw/zinc/09/06/39/281090639.db2.gz ZQMQPTYKNWMGAX-RDHHWEPZSA-N 2 0 322.497 1.985 10 0 DDAERP C[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000095088840 289763223 /nfs/dbraw/zinc/76/32/23/289763223.db2.gz MDSNKDRLGSQWFF-HNNXBMFYSA-N 2 0 301.434 1.848 10 0 DDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC[NH2+]1 ZINC000262365205 291045522 /nfs/dbraw/zinc/04/55/22/291045522.db2.gz KZSWSTQERCPLTM-LLLHUVSDSA-N 2 0 301.434 1.936 10 0 DDAERP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237187172 202180850 /nfs/dbraw/zinc/18/08/50/202180850.db2.gz TVGFEEMZYYCKGT-ZBFHGGJFSA-N 2 0 319.449 1.761 10 0 DDAERP CCC[C@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)[NH+](C)C ZINC000179331386 199016512 /nfs/dbraw/zinc/01/65/12/199016512.db2.gz IXYYKLBIUUIQPV-QGZVFWFLSA-N 2 0 318.465 1.893 10 0 DDAERP CCC[C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)[NH+](C)C ZINC000179331373 199016886 /nfs/dbraw/zinc/01/68/86/199016886.db2.gz IXYYKLBIUUIQPV-KRWDZBQOSA-N 2 0 318.465 1.893 10 0 DDAERP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])(SC)CC1 ZINC000091472596 193061770 /nfs/dbraw/zinc/06/17/70/193061770.db2.gz HXEPVBCUXZIOMQ-GFCCVEGCSA-N 2 0 301.500 1.836 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116032 193164624 /nfs/dbraw/zinc/16/46/24/193164624.db2.gz FOHHOYSMOCUFFC-UHFFFAOYSA-N 2 0 317.430 1.247 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000093375029 193240685 /nfs/dbraw/zinc/24/06/85/193240685.db2.gz QFGBAHJJQKFCRY-LBPRGKRZSA-N 2 0 300.328 1.938 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000063054584 184268912 /nfs/dbraw/zinc/26/89/12/184268912.db2.gz NWKTVSNYUUHCPU-UHFFFAOYSA-N 2 0 311.451 1.122 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638300087 422813153 /nfs/dbraw/zinc/81/31/53/422813153.db2.gz DWANXQPWLITJHA-WMLDXEAASA-N 2 0 305.422 1.002 10 0 DDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105129554 407352519 /nfs/dbraw/zinc/35/25/19/407352519.db2.gz GYNQMKWACYYZLS-HZPDHXFCSA-N 2 0 308.470 1.741 10 0 DDAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000113605694 407518808 /nfs/dbraw/zinc/51/88/08/407518808.db2.gz ITBAVCVTDSBHHD-IXDOHACOSA-N 2 0 322.497 1.985 10 0 DDAERP CN(C[C@]1(C)CC[NH2+]C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000262033386 407716463 /nfs/dbraw/zinc/71/64/63/407716463.db2.gz OGSGOIWTJWDGHV-QGZVFWFLSA-N 2 0 305.470 1.279 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000262216217 407767340 /nfs/dbraw/zinc/76/73/40/407767340.db2.gz FHBCBVMWOFIXRL-GFCCVEGCSA-N 2 0 315.801 1.193 10 0 DDAERP C[NH2+]CCc1ccccc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000262346565 407805287 /nfs/dbraw/zinc/80/52/87/407805287.db2.gz UVJDIJISNQKIRY-INIZCTEOSA-N 2 0 301.434 1.759 10 0 DDAERP C[N@H+](CCNC(=O)N1CC[NH+]2CCCC[C@H]2C1)C1CCCC1 ZINC000246461605 408262351 /nfs/dbraw/zinc/26/23/51/408262351.db2.gz PRJTXFISJOEIIQ-INIZCTEOSA-N 2 0 308.470 1.741 10 0 DDAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000247095380 408406327 /nfs/dbraw/zinc/40/63/27/408406327.db2.gz JRDBTQWUNYXIEL-PMPSAXMXSA-N 2 0 310.486 1.746 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000177319060 408580562 /nfs/dbraw/zinc/58/05/62/408580562.db2.gz LNOKIVMUHVCEDA-CVEARBPZSA-N 2 0 310.486 1.890 10 0 DDAERP C(=C/CN1CC[N@@H+]2CCC[C@@H]2C1)\CN1CC[NH+]2CCC[C@@H]2C1 ZINC000179527779 162731735 /nfs/dbraw/zinc/73/17/35/162731735.db2.gz SBCUBXAPHHRWMN-ZHEVZCJESA-N 2 0 304.482 1.103 10 0 DDAERP C[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000249608353 408750618 /nfs/dbraw/zinc/75/06/18/408750618.db2.gz RROVQHFBFNYOIH-MAUKXSAKSA-N 2 0 306.450 1.745 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638837240 423150975 /nfs/dbraw/zinc/15/09/75/423150975.db2.gz YIUOTHUZBGHLQK-OIISXLGYSA-N 2 0 301.434 1.480 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCCC1 ZINC000246566523 278272055 /nfs/dbraw/zinc/27/20/55/278272055.db2.gz ZUAICBDGVOLJDG-HOTGVXAUSA-N 2 0 308.470 1.598 10 0 DDAERP Cc1cc(N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc[nH+]1 ZINC000261822210 698439575 /nfs/dbraw/zinc/43/95/75/698439575.db2.gz AUKUQMSPDQSCON-HOCLYGCPSA-N 2 0 302.422 1.475 10 0 DDAERP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000092626612 185329694 /nfs/dbraw/zinc/32/96/94/185329694.db2.gz CGIWGGWOHBSYGN-OAHLLOKOSA-N 2 0 311.451 1.001 10 0 DDAERP C[NH2+]Cc1sccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092678608 185333420 /nfs/dbraw/zinc/33/34/20/185333420.db2.gz OXBWLSCIFLNWLM-NSHDSACASA-N 2 0 317.480 1.182 10 0 DDAERP CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1C[NH2+]CCN1CC[NH3+] ZINC000616636431 362764160 /nfs/dbraw/zinc/76/41/60/362764160.db2.gz RWFOHUIQPTZAFD-HNNXBMFYSA-N 2 0 320.437 1.939 10 0 DDAERP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000262676776 354395920 /nfs/dbraw/zinc/39/59/20/354395920.db2.gz UJWWOHSNBNBAMU-FPCVCCKLSA-N 2 0 311.470 1.510 10 0 DDAERP [NH3+]CC1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3F)n2)CC1 ZINC000073696059 191343196 /nfs/dbraw/zinc/34/31/96/191343196.db2.gz UKUPTCHJIIWCIQ-UHFFFAOYSA-N 2 0 316.380 1.747 10 0 DDAERP CC(C)CS(=O)(=O)N1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000080185638 192010247 /nfs/dbraw/zinc/01/02/47/192010247.db2.gz JVQIITODCMWLFC-UHFFFAOYSA-N 2 0 305.488 1.109 10 0 DDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000236907964 202065337 /nfs/dbraw/zinc/06/53/37/202065337.db2.gz WUJGOWBXAFGKCS-SWLSCSKDSA-N 2 0 305.426 1.145 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000180492958 199166391 /nfs/dbraw/zinc/16/63/91/199166391.db2.gz PATBRZLYHYBMES-YJBOKZPZSA-N 2 0 321.465 1.608 10 0 DDAERP C[NH2+]C1CCC([N@H+](C)Cc2cc(=O)n3ccsc3n2)CC1 ZINC000091873164 193121285 /nfs/dbraw/zinc/12/12/85/193121285.db2.gz SZPSNXWDIRWARQ-UHFFFAOYSA-N 2 0 306.435 1.718 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000041681327 183216228 /nfs/dbraw/zinc/21/62/28/183216228.db2.gz DUWVLLZVGGASSQ-KBPBESRZSA-N 2 0 305.488 1.168 10 0 DDAERP C[NH+](C)CCC[N@H+](C)CCCOc1ccc(C(N)=S)cc1 ZINC000111137472 194394614 /nfs/dbraw/zinc/39/46/14/194394614.db2.gz RXGMSJKZTCNVJA-UHFFFAOYSA-N 2 0 309.479 1.973 10 0 DDAERP CCOCC[N@H+](CC)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000111122093 194392187 /nfs/dbraw/zinc/39/21/87/194392187.db2.gz CWACPNJCDPBOJL-INIZCTEOSA-N 2 0 301.475 1.757 10 0 DDAERP CC(C)[NH2+]Cc1cnc(N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061655489 184181394 /nfs/dbraw/zinc/18/13/94/184181394.db2.gz JKHKDESCNJGYGS-UHFFFAOYSA-N 2 0 311.499 1.325 10 0 DDAERP C[C@H](CNS(=O)(=O)c1ccc(C[NH3+])cc1)C[NH+]1CCCC1 ZINC000062072901 184204489 /nfs/dbraw/zinc/20/44/89/184204489.db2.gz XYNGLZKCCPZBIX-CYBMUJFWSA-N 2 0 311.451 1.156 10 0 DDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000063178212 184276612 /nfs/dbraw/zinc/27/66/12/184276612.db2.gz RJNUKLIHKHUTSY-LBPRGKRZSA-N 2 0 311.813 1.333 10 0 DDAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1([NH3+])CCOCC1)c1ccccc1 ZINC000261957236 407687689 /nfs/dbraw/zinc/68/76/89/407687689.db2.gz ZUPJGBLMVXGFFT-CQSZACIVSA-N 2 0 319.449 1.740 10 0 DDAERP CCC[N@H+](CC)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1CC ZINC000245430422 407977580 /nfs/dbraw/zinc/97/75/80/407977580.db2.gz LQOMKJQNEDQYLK-CVEARBPZSA-N 2 0 310.486 1.987 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000176323181 408338392 /nfs/dbraw/zinc/33/83/92/408338392.db2.gz KDEWCUITBDHJDN-INIZCTEOSA-N 2 0 310.486 1.844 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247352254 408457797 /nfs/dbraw/zinc/45/77/97/408457797.db2.gz OBJHXOYTGZMDMI-BZUAXINKSA-N 2 0 310.486 1.746 10 0 DDAERP Cc1nccn1C[C@@H]1CCCN1CC(=O)N(C)CC(F)(F)F ZINC000178318996 408804948 /nfs/dbraw/zinc/80/49/48/408804948.db2.gz YQKWBDQNQSIHBJ-LBPRGKRZSA-N 2 0 318.343 1.677 10 0 DDAERP Cn1nccc1[C@H]1[C@H](CNC(=O)C[NH+](C)C)CCC[N@@H+]1C1CC1 ZINC000347899501 410781615 /nfs/dbraw/zinc/78/16/15/410781615.db2.gz ILCROWMLQUEBMB-SUMWQHHRSA-N 2 0 319.453 1.013 10 0 DDAERP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649335557 423761262 /nfs/dbraw/zinc/76/12/62/423761262.db2.gz JPNJTDNBAGIRSI-IRXDYDNUSA-N 2 0 317.433 1.003 10 0 DDAERP CC(C)[C@H](C)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246987590 276014499 /nfs/dbraw/zinc/01/44/99/276014499.db2.gz AUNBRDCGIUKTKT-GJZGRUSLSA-N 2 0 313.486 1.172 10 0 DDAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)C[NH+]1CCCC1 ZINC000247499118 278201886 /nfs/dbraw/zinc/20/18/86/278201886.db2.gz UWKRRGUTDYQIGI-PMPSAXMXSA-N 2 0 308.470 1.596 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000246988085 282026999 /nfs/dbraw/zinc/02/69/99/282026999.db2.gz QJALYBWNYNTFKE-OFQRWUPVSA-N 2 0 308.470 1.737 10 0 DDAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000106457765 289366711 /nfs/dbraw/zinc/36/67/11/289366711.db2.gz PLRNWELSBXUSIN-QGZVFWFLSA-N 2 0 303.450 1.712 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1CC([NH3+])C1 ZINC000708588234 699250391 /nfs/dbraw/zinc/25/03/91/699250391.db2.gz AULHDUYJTYVXEO-CRYBEJKASA-N 2 0 301.434 1.608 10 0 DDAERP COCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000888097604 709212766 /nfs/dbraw/zinc/21/27/66/709212766.db2.gz KWEYVNPOCKPKLU-BDXSIMOUSA-N 2 0 322.449 1.995 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170862083 282174036 /nfs/dbraw/zinc/17/40/36/282174036.db2.gz KVBJJXLIMVKLPB-HOTGVXAUSA-N 2 0 304.438 1.635 10 0 DDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000186724927 282181493 /nfs/dbraw/zinc/18/14/93/282181493.db2.gz YHLUCKOZEWJTFG-KRWDZBQOSA-N 2 0 303.450 1.712 10 0 DDAERP C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C)[C@@H]2CCCO2)COC1)[C@H]1CCCO1 ZINC000183167594 539241229 /nfs/dbraw/zinc/24/12/29/539241229.db2.gz MKMWQWIEBUKLIU-GEEKYZPCSA-N 2 0 312.454 1.317 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH2+]C)o2)C1 ZINC000088550745 185257428 /nfs/dbraw/zinc/25/74/28/185257428.db2.gz ZDXNMPHHQKNJOA-GFCCVEGCSA-N 2 0 315.439 1.104 10 0 DDAERP CC(C)C[NH2+]Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)o1 ZINC000088542129 185256471 /nfs/dbraw/zinc/25/64/71/185256471.db2.gz PLGKGUOYQBCKAP-UHFFFAOYSA-N 2 0 317.455 1.255 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC000092679179 185333469 /nfs/dbraw/zinc/33/34/69/185333469.db2.gz VRXPYXJYTITIDT-GFCCVEGCSA-N 2 0 315.439 1.022 10 0 DDAERP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(C[NH3+])CCOCC1 ZINC000262087669 295933127 /nfs/dbraw/zinc/93/31/27/295933127.db2.gz CTILKYQMFDVGPO-KFWWJZLASA-N 2 0 311.470 1.225 10 0 DDAERP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[NH+]2CCCC2)o1 ZINC000261820433 203124774 /nfs/dbraw/zinc/12/47/74/203124774.db2.gz PHULDASEVRBFLF-FMKPAKJESA-N 2 0 321.421 1.347 10 0 DDAERP [NH3+][C@@]1(CO)CCC[C@@H]1CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093615150 193275269 /nfs/dbraw/zinc/27/52/69/193275269.db2.gz HFPONMUAVWQLFT-CHWSQXEVSA-N 2 0 309.376 1.046 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000094364774 193365746 /nfs/dbraw/zinc/36/57/46/193365746.db2.gz PJYDRWKNHZYYKQ-CQSZACIVSA-N 2 0 314.495 1.871 10 0 DDAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc2sccn2c1C[NH3+] ZINC000094446590 193371603 /nfs/dbraw/zinc/37/16/03/193371603.db2.gz FEQCBNVBFKLZLM-VXGBXAGGSA-N 2 0 305.451 1.918 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000173845138 248349096 /nfs/dbraw/zinc/34/90/96/248349096.db2.gz MJJLYYQDSHIUFK-IAGOWNOFSA-N 2 0 322.497 1.987 10 0 DDAERP CCC[NH+]1CCC(C[NH3+])(N(CCOC)[C@@H](C)COC)CC1 ZINC000042606629 183290851 /nfs/dbraw/zinc/29/08/51/183290851.db2.gz KCXOOWFKLWMJBP-HNNXBMFYSA-N 2 0 301.475 1.173 10 0 DDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106454072 194215361 /nfs/dbraw/zinc/21/53/61/194215361.db2.gz VTFFTYHFSQMFIS-MRXNPFEDSA-N 2 0 305.466 1.863 10 0 DDAERP C[C@@H]([NH3+])c1cccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061652882 184181079 /nfs/dbraw/zinc/18/10/79/184181079.db2.gz FVWPEDXVWGNLOP-TZMCWYRMSA-N 2 0 311.451 1.421 10 0 DDAERP C[C@H](CNS(=O)(=O)c1ccccc1C[NH3+])C[NH+]1CCCC1 ZINC000062074049 184204648 /nfs/dbraw/zinc/20/46/48/184204648.db2.gz KQRXKNJHGDULKB-CYBMUJFWSA-N 2 0 311.451 1.156 10 0 DDAERP COC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000262306909 285224705 /nfs/dbraw/zinc/22/47/05/285224705.db2.gz OMOZCMJVPXHGPG-UYSNPLJNSA-N 2 0 311.470 1.319 10 0 DDAERP C[NH+]1CCN(C[C@@H]2OC[C@H]3CC[N@H+](Cc4ccco4)C[C@@H]23)CC1 ZINC000248029607 257111217 /nfs/dbraw/zinc/11/12/17/257111217.db2.gz KVWKQFXHBZMXJE-NXHRZFHOSA-N 2 0 319.449 1.364 10 0 DDAERP CN(C[C@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000261929402 407675625 /nfs/dbraw/zinc/67/56/25/407675625.db2.gz LHSLSRNNWNRXFH-XYJFISCASA-N 2 0 319.497 1.734 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000262329354 407800908 /nfs/dbraw/zinc/80/09/08/407800908.db2.gz RMLVAHFXLROCHL-KRWDZBQOSA-N 2 0 319.449 1.508 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000262413934 407829031 /nfs/dbraw/zinc/82/90/31/407829031.db2.gz QXGVHSQKQQKDTG-AWEZNQCLSA-N 2 0 323.462 1.456 10 0 DDAERP COc1ccc([C@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000263251430 408077061 /nfs/dbraw/zinc/07/70/61/408077061.db2.gz DYIISOTXGAPCFI-INIZCTEOSA-N 2 0 303.406 1.168 10 0 DDAERP O[C@@H]1C[NH2+]C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263281674 408090752 /nfs/dbraw/zinc/09/07/52/408090752.db2.gz UIUPOIFYTWXXOT-DWBSNAHUSA-N 2 0 315.461 1.352 10 0 DDAERP COc1cccc([C@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCCC2)c1 ZINC000263335651 408111263 /nfs/dbraw/zinc/11/12/63/408111263.db2.gz WEIMWBGTVKYPRM-INIZCTEOSA-N 2 0 303.406 1.168 10 0 DDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246018147 408122663 /nfs/dbraw/zinc/12/26/63/408122663.db2.gz NIXWTLWHNHWFKY-LSDHHAIUSA-N 2 0 310.486 1.842 10 0 DDAERP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+](CC)C2)[C@H](C)C1 ZINC000246517067 408280543 /nfs/dbraw/zinc/28/05/43/408280543.db2.gz UOQDLGQPPFPGPU-PMPSAXMXSA-N 2 0 310.486 1.842 10 0 DDAERP COC[C@H](Cc1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151297084 408291347 /nfs/dbraw/zinc/29/13/47/408291347.db2.gz HZBGLDSHSSCXRN-ZWKOTPCHSA-N 2 0 306.450 1.681 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000246815643 408347118 /nfs/dbraw/zinc/34/71/18/408347118.db2.gz DJBPNNYKRIPGDN-HZPDHXFCSA-N 2 0 310.486 1.748 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000247087836 408406720 /nfs/dbraw/zinc/40/67/20/408406720.db2.gz JKQDIWQDUUBFCL-FMKPAKJESA-N 2 0 308.470 1.499 10 0 DDAERP Cc1c[nH+]ccc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000192568651 163227658 /nfs/dbraw/zinc/22/76/58/163227658.db2.gz QNPKZWQTPQODSX-QGZVFWFLSA-N 2 0 318.465 1.621 10 0 DDAERP CC(C)c1nnc2n1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000193088922 163247645 /nfs/dbraw/zinc/24/76/45/163247645.db2.gz NNTLVBUAQPJUPP-FFHGMXDLSA-N 2 0 303.454 1.931 10 0 DDAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000190891260 222091910 /nfs/dbraw/zinc/09/19/10/222091910.db2.gz GRADRPMIKZXAGS-HPUBIQBYSA-N 2 0 312.454 1.354 10 0 DDAERP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000237401979 277887477 /nfs/dbraw/zinc/88/74/77/277887477.db2.gz MTBKEEASXKGRMN-BFYDXBDKSA-N 2 0 323.481 1.476 10 0 DDAERP O[C@@]1(CN[C@H]2CCC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000422975473 534421230 /nfs/dbraw/zinc/42/12/30/534421230.db2.gz GVAKHYMHXOCEAV-ZWKOTPCHSA-N 2 0 303.450 1.355 10 0 DDAERP C[C@]1(C(=O)N2CCN(Cc3cccs3)CC2)CCCC[NH2+]1 ZINC000136195374 696853564 /nfs/dbraw/zinc/85/35/64/696853564.db2.gz GLZIARAUUNOHKW-MRXNPFEDSA-N 2 0 307.463 1.925 10 0 DDAERP COC[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000261551142 698427362 /nfs/dbraw/zinc/42/73/62/698427362.db2.gz QESUCFUKCULGQS-MAUKXSAKSA-N 2 0 319.449 1.249 10 0 DDAERP CC[NH2+]CCCCS(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000092680062 185333546 /nfs/dbraw/zinc/33/35/46/185333546.db2.gz MCZDCHKGJIUWDQ-CQSZACIVSA-N 2 0 305.488 1.122 10 0 DDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000262659066 282293514 /nfs/dbraw/zinc/29/35/14/282293514.db2.gz FJUYKSZGKVTWQL-WCVJEAGWSA-N 2 0 311.470 1.367 10 0 DDAERP Cc1ccc2c(c1)n(C1CC[NH2+]CC1)c(=O)n2C1CC[NH2+]CC1 ZINC000669371095 539561578 /nfs/dbraw/zinc/56/15/78/539561578.db2.gz GSYODRZOTIRLOB-UHFFFAOYSA-N 2 0 314.433 1.960 10 0 DDAERP Cc1c(C[NH3+])cccc1S(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000088969311 192672505 /nfs/dbraw/zinc/67/25/05/192672505.db2.gz DMXYOQRIAFHQAG-UHFFFAOYSA-N 2 0 311.451 1.168 10 0 DDAERP COCC[NH2+]Cc1sc(N2CCC[C@@H]([NH+](C)C)C2)nc1C ZINC000091432403 193055361 /nfs/dbraw/zinc/05/53/61/193055361.db2.gz OMIGGDYZBTTWFZ-CYBMUJFWSA-N 2 0 312.483 1.718 10 0 DDAERP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000262438062 203293564 /nfs/dbraw/zinc/29/35/64/203293564.db2.gz CKUVWYYAVVKPCU-IRXDYDNUSA-N 2 0 317.433 1.580 10 0 DDAERP CN(CC1([NH+](C)C)CCC1)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000097934475 193767281 /nfs/dbraw/zinc/76/72/81/193767281.db2.gz MXGVWHDXKIDIAT-UHFFFAOYSA-N 2 0 317.480 1.312 10 0 DDAERP C[NH+](C)CC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000336674622 249230091 /nfs/dbraw/zinc/23/00/91/249230091.db2.gz KLNXKRMBQDCJCW-SFHVURJKSA-N 2 0 306.450 1.838 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000041681991 183216905 /nfs/dbraw/zinc/21/69/05/183216905.db2.gz CPVUYFYHGUUWBJ-CYBMUJFWSA-N 2 0 313.467 1.415 10 0 DDAERP CC(C)CN(CC[NH+](C)C)S(=O)(=O)CCC[NH2+]C(C)C ZINC000042782448 183309038 /nfs/dbraw/zinc/30/90/38/183309038.db2.gz XKTXMWFUZDDODG-UHFFFAOYSA-N 2 0 307.504 1.224 10 0 DDAERP C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)CCC[NH+](C)C)c1 ZINC000111141212 194394550 /nfs/dbraw/zinc/39/45/50/194394550.db2.gz CELLLAMJCHIKBE-CYBMUJFWSA-N 2 0 313.467 1.539 10 0 DDAERP Cn1cncc1C[N@@H+]1C[C@@H]2CCC[C@H](C[NH+]3CCOCC3)[C@@H]2C1 ZINC000248023861 257110284 /nfs/dbraw/zinc/11/02/84/257110284.db2.gz IVUSZUAVJLWKBV-RYRKJORJSA-N 2 0 318.465 1.600 10 0 DDAERP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000638300960 422814031 /nfs/dbraw/zinc/81/40/31/422814031.db2.gz IIENKJFEBNQKNK-HFTRVMKXSA-N 2 0 319.449 1.390 10 0 DDAERP COc1ccc(-c2noc(CN3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000261629948 407561265 /nfs/dbraw/zinc/56/12/65/407561265.db2.gz CXVFRANSHYALTD-NWANDNLSSA-N 2 0 314.389 1.914 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000123366305 407326966 /nfs/dbraw/zinc/32/69/66/407326966.db2.gz DJBPNNYKRIPGDN-JKSUJKDBSA-N 2 0 310.486 1.748 10 0 DDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261911213 407667197 /nfs/dbraw/zinc/66/71/97/407667197.db2.gz JAGOYGIXBMJWNN-IGKNDFSCSA-N 2 0 309.498 1.996 10 0 DDAERP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261914384 407668405 /nfs/dbraw/zinc/66/84/05/407668405.db2.gz JMHMSXOQTZWNKH-IPMKNSEASA-N 2 0 317.477 1.995 10 0 DDAERP CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCC2 ZINC000262218091 407766018 /nfs/dbraw/zinc/76/60/18/407766018.db2.gz UHXSDXUAJBRLOV-CVEARBPZSA-N 2 0 323.481 1.478 10 0 DDAERP C[NH2+]CCc1ccccc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000262359856 407812133 /nfs/dbraw/zinc/81/21/33/407812133.db2.gz WGIOIKLJSVUCIZ-GDBMZVCRSA-N 2 0 301.434 1.757 10 0 DDAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H]3CCCCNC3=O)C2)[nH+]1 ZINC000245933821 408106536 /nfs/dbraw/zinc/10/65/36/408106536.db2.gz VINUWUVMTKQBPO-CABCVRRESA-N 2 0 302.422 1.793 10 0 DDAERP COCc1nc(CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000182498038 408177874 /nfs/dbraw/zinc/17/78/74/408177874.db2.gz VHIKVUAHDXGINQ-ZDUSSCGKSA-N 2 0 317.393 1.853 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000246390963 408241356 /nfs/dbraw/zinc/24/13/56/408241356.db2.gz QZZHBGKDGZZNFD-OAGGEKHMSA-N 2 0 308.470 1.739 10 0 DDAERP CC[N@H+](C)[C@@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000246861999 408357069 /nfs/dbraw/zinc/35/70/69/408357069.db2.gz DYXITTRSCWGIEQ-DLBZAZTESA-N 2 0 319.449 1.468 10 0 DDAERP CCCC[C@@H](C(=O)OC)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247129763 408416444 /nfs/dbraw/zinc/41/64/44/408416444.db2.gz KGUUYNUGBKDKMS-HOCLYGCPSA-N 2 0 314.470 1.743 10 0 DDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247520425 408485857 /nfs/dbraw/zinc/48/58/57/408485857.db2.gz ZCHSIUHYGQSZGU-OAGGEKHMSA-N 2 0 310.486 1.889 10 0 DDAERP C(CN1CC[N@@H+]2CCCC[C@H]2C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000248344534 408550190 /nfs/dbraw/zinc/55/01/90/408550190.db2.gz LSHAJUKSYISRNF-ROUUACIJSA-N 2 0 306.498 1.327 10 0 DDAERP C[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000192805699 408653700 /nfs/dbraw/zinc/65/37/00/408653700.db2.gz ZMUCUTVGEARTSK-HZPDHXFCSA-N 2 0 323.456 1.644 10 0 DDAERP CCC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)[NH+](C)C ZINC000162128382 408674922 /nfs/dbraw/zinc/67/49/22/408674922.db2.gz MNKVSIGZLQEKGV-HZPDHXFCSA-N 2 0 312.502 1.107 10 0 DDAERP [NH3+]C1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCOCC1 ZINC000261646703 163678270 /nfs/dbraw/zinc/67/82/70/163678270.db2.gz ACVWFGKCARDOFW-UHFFFAOYSA-N 2 0 317.433 1.407 10 0 DDAERP [NH3+]C1CCC([NH2+]CCCn2cc(Br)cn2)CC1 ZINC000310275884 164006351 /nfs/dbraw/zinc/00/63/51/164006351.db2.gz JOMZTOVLJZLLMC-UHFFFAOYSA-N 2 0 301.232 1.895 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246590811 282000002 /nfs/dbraw/zinc/00/00/02/282000002.db2.gz OAYUZOIBAPWAOS-SJORKVTESA-N 2 0 322.497 1.987 10 0 DDAERP [NH3+]C1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCOCC1 ZINC000261646792 295203715 /nfs/dbraw/zinc/20/37/15/295203715.db2.gz AEDGJUKKQCEGSE-CYBMUJFWSA-N 2 0 323.462 1.509 10 0 DDAERP CC1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000262121035 698455367 /nfs/dbraw/zinc/45/53/67/698455367.db2.gz WGFFQLFQYNPXOJ-INIZCTEOSA-N 2 0 311.470 1.369 10 0 DDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3C)C2)[C@@H]1C(C)C ZINC000888097744 709212741 /nfs/dbraw/zinc/21/27/41/709212741.db2.gz NSTSURPEHZFDBH-ZJPYXAASSA-N 2 0 320.481 1.688 10 0 DDAERP C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000180492975 199166096 /nfs/dbraw/zinc/16/60/96/199166096.db2.gz PATBRZLYHYBMES-QAPCUYQASA-N 2 0 321.465 1.608 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091431221 193055309 /nfs/dbraw/zinc/05/53/09/193055309.db2.gz QAXXOFXPCBBEEY-AWEZNQCLSA-N 2 0 311.451 1.121 10 0 DDAERP C[NH2+]C1CCC([N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093695742 193290385 /nfs/dbraw/zinc/29/03/85/193290385.db2.gz HFXYCGUDYNQQPL-WLYUNCDWSA-N 2 0 317.499 1.120 10 0 DDAERP CS(=O)(=O)N1CCC[C@@H](C[N@H+](CCC[NH3+])C2CCCC2)C1 ZINC000093695950 193291035 /nfs/dbraw/zinc/29/10/35/193291035.db2.gz HOXLFKSISKONBA-AWEZNQCLSA-N 2 0 317.499 1.251 10 0 DDAERP CC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCC([NH3+])CC1 ZINC000093698458 193292772 /nfs/dbraw/zinc/29/27/72/193292772.db2.gz XLJHXPTYFXAIBX-WLYUNCDWSA-N 2 0 317.499 1.250 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@H]1[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021523 193339166 /nfs/dbraw/zinc/33/91/66/193339166.db2.gz VKHIHGJWQXJFIJ-HUUCEWRRSA-N 2 0 300.468 1.416 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)NCCCC[NH+](C)C)cc1 ZINC000041681825 183217035 /nfs/dbraw/zinc/21/70/35/183217035.db2.gz HTLQBXVZDCKUEP-UHFFFAOYSA-N 2 0 313.467 1.416 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3ccccc3n2)CC1 ZINC000105862308 194149913 /nfs/dbraw/zinc/14/99/13/194149913.db2.gz ILEADNVDCJYKPK-OAHLLOKOSA-N 2 0 316.449 1.859 10 0 DDAERP CC(C)C[NH2+]Cc1c(N2CC[NH+](C)CC2)nc2sccn12 ZINC000062734220 184251179 /nfs/dbraw/zinc/25/11/79/184251179.db2.gz NEGBNJKQIXNPEH-UHFFFAOYSA-N 2 0 307.467 1.893 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000080012901 407068890 /nfs/dbraw/zinc/06/88/90/407068890.db2.gz MLDYJCXKDUPQMF-JKSUJKDBSA-N 2 0 312.502 1.994 10 0 DDAERP CNC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915728 407357069 /nfs/dbraw/zinc/35/70/69/407357069.db2.gz AREHCULCPAJNSA-QGZVFWFLSA-N 2 0 319.449 1.110 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000170863022 407534782 /nfs/dbraw/zinc/53/47/82/407534782.db2.gz UBQOPKGUNPHLKI-HZPDHXFCSA-N 2 0 322.428 1.774 10 0 DDAERP C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000246187012 408171073 /nfs/dbraw/zinc/17/10/73/408171073.db2.gz HZJDORJPVYWSDN-CABCVRRESA-N 2 0 310.486 1.842 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000246465519 408262916 /nfs/dbraw/zinc/26/29/16/408262916.db2.gz PXWIMTQLIUTLQW-IRXDYDNUSA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000246685281 408318261 /nfs/dbraw/zinc/31/82/61/408318261.db2.gz HYYMKKAZRIUXJF-DLBZAZTESA-N 2 0 323.481 1.476 10 0 DDAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3C=CCCC3)CC2)C1 ZINC000171746259 162240290 /nfs/dbraw/zinc/24/02/90/162240290.db2.gz OVOCKYIMYVNKMM-ROUUACIJSA-N 2 0 307.482 1.822 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000194169169 408768189 /nfs/dbraw/zinc/76/81/89/408768189.db2.gz YDALNDSTEGGKEG-INIZCTEOSA-N 2 0 310.486 1.844 10 0 DDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309571647 418590181 /nfs/dbraw/zinc/59/01/81/418590181.db2.gz GPYHHOLXVJQWBS-GVDBMIGSSA-N 2 0 301.434 1.752 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638835611 423147886 /nfs/dbraw/zinc/14/78/86/423147886.db2.gz MXQQPYKUAQJRFP-NJAFHUGGSA-N 2 0 315.461 1.870 10 0 DDAERP C[C@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000631844421 421879503 /nfs/dbraw/zinc/87/95/03/421879503.db2.gz XFDJWHZNVCRWEY-QWHCGFSZSA-N 2 0 301.390 1.199 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261899944 297095620 /nfs/dbraw/zinc/09/56/20/297095620.db2.gz ORWAOHVJJCBIEI-ZURLZEQWSA-N 2 0 321.465 1.214 10 0 DDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000384467972 325751661 /nfs/dbraw/zinc/75/16/61/325751661.db2.gz MBRNIYDRLAVILA-RDJZCZTQSA-N 2 0 303.450 1.965 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(C[NH3+])o1 ZINC000309694011 698665680 /nfs/dbraw/zinc/66/56/80/698665680.db2.gz DPPSHOZBEROWDD-CYBMUJFWSA-N 2 0 301.390 1.989 10 0 DDAERP C[C@H](O)C[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000249461283 282157494 /nfs/dbraw/zinc/15/74/94/282157494.db2.gz ZMUCUTVGEARTSK-HOTGVXAUSA-N 2 0 323.456 1.644 10 0 DDAERP C[NH+](C)CCN[C@@H](C[NH3+])c1ccc(Br)cc1F ZINC000087912152 185237346 /nfs/dbraw/zinc/23/73/46/185237346.db2.gz LBFXPRHKVYWUBD-LBPRGKRZSA-N 2 0 304.207 1.739 10 0 DDAERP C[N@H+](CCNc1nc(NN)[nH+]cc1Br)C1CC1 ZINC000087870242 185234185 /nfs/dbraw/zinc/23/41/85/185234185.db2.gz CUFWQTGQWJXYGR-UHFFFAOYSA-N 2 0 301.192 1.031 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)NCC[NH+](CC)CC)o1 ZINC000088541940 185255730 /nfs/dbraw/zinc/25/57/30/185255730.db2.gz FAUGMGQNYXBOHQ-UHFFFAOYSA-N 2 0 303.428 1.009 10 0 DDAERP COc1cc2c(c(OC)c1)[C@@H](C[NH3+])N(C1CC[NH+](C)CC1)C2 ZINC000071683931 191008452 /nfs/dbraw/zinc/00/84/52/191008452.db2.gz HFKXXZGVKRAXSS-OAHLLOKOSA-N 2 0 305.422 1.613 10 0 DDAERP CC(C)[C@@H]([NH3+])c1nc(CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000071694842 191009104 /nfs/dbraw/zinc/00/91/04/191009104.db2.gz PUSVDEJNJAXDEK-GDBMZVCRSA-N 2 0 322.478 1.553 10 0 DDAERP CCC[C@H]([NH3+])C(=O)Nc1cn(C(C)(C)C[NH+]2CCCC2)cn1 ZINC000117139983 353992010 /nfs/dbraw/zinc/99/20/10/353992010.db2.gz XBOLMYATIIFGAX-ZDUSSCGKSA-N 2 0 307.442 1.780 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1cccs1 ZINC000079532507 191947241 /nfs/dbraw/zinc/94/72/41/191947241.db2.gz LDVMOUHHQBKPJR-SQLGEJSKSA-N 2 0 307.463 1.840 10 0 DDAERP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000236982881 202106262 /nfs/dbraw/zinc/10/62/62/202106262.db2.gz WUJGOWBXAFGKCS-DOMZBBRYSA-N 2 0 305.426 1.145 10 0 DDAERP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000093463394 193255005 /nfs/dbraw/zinc/25/50/05/193255005.db2.gz JLVPTCGEVBXPSP-MBNYWOFBSA-N 2 0 311.451 1.515 10 0 DDAERP NC(=O)[C@]1([NH3+])CCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093596137 193271533 /nfs/dbraw/zinc/27/15/33/193271533.db2.gz JQJRWDRPYOAMTK-MFKMUULPSA-N 2 0 307.360 1.634 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000094459104 193371228 /nfs/dbraw/zinc/37/12/28/193371228.db2.gz FKAOFZUBIHDDPM-GXTWGEPZSA-N 2 0 309.435 1.003 10 0 DDAERP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000638276594 422796427 /nfs/dbraw/zinc/79/64/27/422796427.db2.gz SSHWDEFUFVHESH-NUEKZKHPSA-N 2 0 305.422 1.082 10 0 DDAERP CCN(CCC[NH2+][C@@H](C)C1CC[NH+](CC)CC1)S(C)(=O)=O ZINC000038035527 284913159 /nfs/dbraw/zinc/91/31/59/284913159.db2.gz RFSVDXJDGBFWCR-AWEZNQCLSA-N 2 0 319.515 1.368 10 0 DDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000106916099 407366993 /nfs/dbraw/zinc/36/69/93/407366993.db2.gz NZYWLTNCVFYWIE-IRXDYDNUSA-N 2 0 303.450 1.712 10 0 DDAERP Cc1nnc([C@H]2CC3(CN2CCO)CC[NH+](CC(C)C)CC3)o1 ZINC000257191753 407486691 /nfs/dbraw/zinc/48/66/91/407486691.db2.gz RFIXVAFDUMUVCJ-OAHLLOKOSA-N 2 0 322.453 1.855 10 0 DDAERP NC(=O)c1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261838684 407636225 /nfs/dbraw/zinc/63/62/25/407636225.db2.gz UFCBVNNYNGXMEQ-MSOLQXFVSA-N 2 0 309.413 1.960 10 0 DDAERP CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588739 407710015 /nfs/dbraw/zinc/71/00/15/407710015.db2.gz UDZLYQONVJZSER-ZNMIVQPWSA-N 2 0 313.486 1.314 10 0 DDAERP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]([NH3+])COC)cc1 ZINC000262320907 407796577 /nfs/dbraw/zinc/79/65/77/407796577.db2.gz QJAUSYDODPRIRP-HNNXBMFYSA-N 2 0 309.410 1.319 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000262328129 407799165 /nfs/dbraw/zinc/79/91/65/407799165.db2.gz RHBHUFYGUQUFEP-CQSZACIVSA-N 2 0 323.462 1.456 10 0 DDAERP CC(C)n1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000172014292 407800983 /nfs/dbraw/zinc/80/09/83/407800983.db2.gz IKNBXJPEJIQCNF-HNNXBMFYSA-N 2 0 308.470 1.989 10 0 DDAERP O[C@H]1C[NH2+]C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263281666 408090893 /nfs/dbraw/zinc/09/08/93/408090893.db2.gz UIUPOIFYTWXXOT-BDZKXGRMSA-N 2 0 315.461 1.352 10 0 DDAERP COc1ccccc1[C@@H](CNC(=O)C1C[NH2+]C1)[NH+]1CCCCC1 ZINC000263335679 408111880 /nfs/dbraw/zinc/11/18/80/408111880.db2.gz WFMOXJDWYYYONK-MRXNPFEDSA-N 2 0 317.433 1.558 10 0 DDAERP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907012 162248512 /nfs/dbraw/zinc/24/85/12/162248512.db2.gz RIXULVPECYQGBE-MRXNPFEDSA-N 2 0 310.486 1.988 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000177331073 408582726 /nfs/dbraw/zinc/58/27/26/408582726.db2.gz LOAYWUFIBZRGSH-MRXNPFEDSA-N 2 0 308.470 1.739 10 0 DDAERP C[C@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000309876211 409788778 /nfs/dbraw/zinc/78/87/78/409788778.db2.gz IFDHYSLNUXAATK-SJLPKXTDSA-N 2 0 301.434 1.767 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000248737745 287226058 /nfs/dbraw/zinc/22/60/58/287226058.db2.gz OVTVOBZHFAJYGJ-WBVHZDCISA-N 2 0 305.466 1.946 10 0 DDAERP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171899931 277384118 /nfs/dbraw/zinc/38/41/18/277384118.db2.gz GMDXNTBMTBCJGB-MRXNPFEDSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@@](O)(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000075937822 278116287 /nfs/dbraw/zinc/11/62/87/278116287.db2.gz WKMQIFPOXYJZLF-LJQANCHMSA-N 2 0 318.461 1.938 10 0 DDAERP C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000111606365 278195898 /nfs/dbraw/zinc/19/58/98/278195898.db2.gz RNLHPMVUGUCOSG-WMLDXEAASA-N 2 0 301.434 1.596 10 0 DDAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)[nH+]1 ZINC000195516339 281245337 /nfs/dbraw/zinc/24/53/37/281245337.db2.gz MHGPZFJWTTZIIV-AWEZNQCLSA-N 2 0 302.422 1.745 10 0 DDAERP CCC[C@H](C(=O)NC1CC[NH+](CCOC(C)C)CC1)[NH+](C)C ZINC000128441913 281311267 /nfs/dbraw/zinc/31/12/67/281311267.db2.gz RDRNZLRCIXOCOM-MRXNPFEDSA-N 2 0 313.486 1.722 10 0 DDAERP C[C@H]([NH3+])C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000157228488 298948105 /nfs/dbraw/zinc/94/81/05/298948105.db2.gz GOIYBHXMOPNPKK-JSGCOSHPSA-N 2 0 303.406 1.438 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244137 484027887 /nfs/dbraw/zinc/02/78/87/484027887.db2.gz KEHVFBWGSLFTCD-AAEUAGOBSA-N 2 0 309.376 1.621 10 0 DDAERP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262326349 484269189 /nfs/dbraw/zinc/26/91/89/484269189.db2.gz RVCMOGSXRLEEEM-IAGOWNOFSA-N 2 0 319.449 1.229 10 0 DDAERP C[C@H]([NH3+])CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000261749529 698436006 /nfs/dbraw/zinc/43/60/06/698436006.db2.gz HEAPAOCWOSYYBY-LBPRGKRZSA-N 2 0 318.421 1.060 10 0 DDAERP [NH3+]C[C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CO1 ZINC000713823061 699267499 /nfs/dbraw/zinc/26/74/99/699267499.db2.gz RFGQBODJCMXVQT-DLBZAZTESA-N 2 0 317.433 1.085 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079458349 185172542 /nfs/dbraw/zinc/17/25/42/185172542.db2.gz PNCRZAKMCGNOGH-LSDHHAIUSA-N 2 0 310.486 1.746 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000247650719 282173590 /nfs/dbraw/zinc/17/35/90/282173590.db2.gz WOAUNMNFXGJIFX-IRXDYDNUSA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)[C@@H](C[NH+](C)C)Nc1nc(NN)[nH+]cc1Br ZINC000087865612 185233900 /nfs/dbraw/zinc/23/39/00/185233900.db2.gz RHUOWEMDQMXEIV-SECBINFHSA-N 2 0 317.235 1.523 10 0 DDAERP COC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262303711 293117792 /nfs/dbraw/zinc/11/77/92/293117792.db2.gz OEVJXNUFIJIGNO-DLBZAZTESA-N 2 0 319.449 1.550 10 0 DDAERP CC[NH2+][C@](C)(CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435122 185249998 /nfs/dbraw/zinc/24/99/98/185249998.db2.gz SOCOIOCMWPYGQN-WCQYABFASA-N 2 0 309.376 1.894 10 0 DDAERP CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)o1 ZINC000088543187 185256229 /nfs/dbraw/zinc/25/62/29/185256229.db2.gz OLANCWUVOAPXFR-LBPRGKRZSA-N 2 0 317.455 1.398 10 0 DDAERP CCC[NH2+]Cc1ccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)o1 ZINC000088543276 185256312 /nfs/dbraw/zinc/25/63/12/185256312.db2.gz XBDVHQRNZDDAOB-UHFFFAOYSA-N 2 0 317.455 1.398 10 0 DDAERP C[NH+]1CCN([C@@H](CN2CC[NH2+]CC2)c2cccc(Cl)c2)CC1 ZINC000036462757 352295002 /nfs/dbraw/zinc/29/50/02/352295002.db2.gz LXFOXNLPQMKKIF-KRWDZBQOSA-N 2 0 322.884 1.534 10 0 DDAERP C[C@@H]([NH3+])CCC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000193324648 354291274 /nfs/dbraw/zinc/29/12/74/354291274.db2.gz OZEWRPKVNTUTPE-GDBMZVCRSA-N 2 0 304.438 1.680 10 0 DDAERP Cc1ccc(-c2nc(C[NH2+]CC3CC[NH2+]CC3)cc(=O)[nH]2)cc1 ZINC000073696019 191343010 /nfs/dbraw/zinc/34/30/10/191343010.db2.gz VDMPKASJYINJNS-UHFFFAOYSA-N 2 0 312.417 1.835 10 0 DDAERP CC[NH2+]C[C@H](C)S(=O)(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000089028108 192708577 /nfs/dbraw/zinc/70/85/77/192708577.db2.gz DIYVFUVWAMAOOZ-AWEZNQCLSA-N 2 0 317.499 1.122 10 0 DDAERP CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C[NH3+])cc1F ZINC000092116147 193164566 /nfs/dbraw/zinc/16/45/66/193164566.db2.gz BQJRZNWIQJYAPE-UHFFFAOYSA-N 2 0 315.414 1.001 10 0 DDAERP C[NH2+][C@@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cnn(C)c1 ZINC000262419854 203288994 /nfs/dbraw/zinc/28/89/94/203288994.db2.gz RPFVSKCHJUVBFQ-HUUCEWRRSA-N 2 0 307.442 1.013 10 0 DDAERP [NH3+][C@@]1(CO)CCC[C@H]1CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093615151 193275722 /nfs/dbraw/zinc/27/57/22/193275722.db2.gz HFPONMUAVWQLFT-QWHCGFSZSA-N 2 0 309.376 1.046 10 0 DDAERP CC[NH+]1CCC(N(C)S(=O)(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000042681652 183296488 /nfs/dbraw/zinc/29/64/88/183296488.db2.gz OLQXLDGKKOPMRD-CQSZACIVSA-N 2 0 317.499 1.265 10 0 DDAERP CC(C)[NH+](CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C(C)C ZINC000105075572 194069828 /nfs/dbraw/zinc/06/98/28/194069828.db2.gz ZGASQKXPJDNZMC-MRXNPFEDSA-N 2 0 310.486 1.985 10 0 DDAERP CC[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(N)=O ZINC000105861678 194148954 /nfs/dbraw/zinc/14/89/54/194148954.db2.gz DXRLNXVTLHZLAJ-DLBZAZTESA-N 2 0 319.449 1.286 10 0 DDAERP CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000049641135 183750718 /nfs/dbraw/zinc/75/07/18/183750718.db2.gz ZCYSHRPEXSRYMO-AWEZNQCLSA-N 2 0 319.515 1.416 10 0 DDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261698706 407582897 /nfs/dbraw/zinc/58/28/97/407582897.db2.gz BJNLXQFFJILGSJ-GDBMZVCRSA-N 2 0 311.470 1.511 10 0 DDAERP CC1CC[NH+](CCCCNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170830001 407520270 /nfs/dbraw/zinc/52/02/70/407520270.db2.gz ZMVKKXDGIKPAAB-INIZCTEOSA-N 2 0 310.486 1.844 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3cccnc3n2)CC1 ZINC000171588679 407710493 /nfs/dbraw/zinc/71/04/93/407710493.db2.gz LWEGEBPPUDGZPT-CQSZACIVSA-N 2 0 317.437 1.254 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000262302938 407790528 /nfs/dbraw/zinc/79/05/28/407790528.db2.gz OCKJZRQNZDKMEN-XIRDDKMYSA-N 2 0 319.449 1.377 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000262299377 407787346 /nfs/dbraw/zinc/78/73/46/407787346.db2.gz NSEGGLZIBBTYOB-XJKSGUPXSA-N 2 0 321.421 1.319 10 0 DDAERP CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]1CC13CC[NH2+]CC3)C2 ZINC000137243473 408150935 /nfs/dbraw/zinc/15/09/35/408150935.db2.gz MWOMWJRILMAZLO-ZDUSSCGKSA-N 2 0 316.449 1.818 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3ccsc3n2)CC1 ZINC000171589292 162228107 /nfs/dbraw/zinc/22/81/07/162228107.db2.gz WSAQFFKPMGTEGS-ZDUSSCGKSA-N 2 0 322.478 1.920 10 0 DDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000247601504 408497544 /nfs/dbraw/zinc/49/75/44/408497544.db2.gz UPNSEGHHPYUVAM-VVLHAWIVSA-N 2 0 322.497 1.842 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000177331094 408582796 /nfs/dbraw/zinc/58/27/96/408582796.db2.gz LOAYWUFIBZRGSH-INIZCTEOSA-N 2 0 308.470 1.739 10 0 DDAERP C[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000192805705 408651641 /nfs/dbraw/zinc/65/16/41/408651641.db2.gz ZMUCUTVGEARTSK-JKSUJKDBSA-N 2 0 323.456 1.644 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638078696 422639280 /nfs/dbraw/zinc/63/92/80/422639280.db2.gz GBYVXCITIXQEFR-IAGOWNOFSA-N 2 0 318.465 1.046 10 0 DDAERP COC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649278916 423714238 /nfs/dbraw/zinc/71/42/38/423714238.db2.gz NBOPPILJQWSHQC-WMZOPIPTSA-N 2 0 317.433 1.146 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000079066842 279127433 /nfs/dbraw/zinc/12/74/33/279127433.db2.gz SHYWAVFQBVTWPC-OAHLLOKOSA-N 2 0 310.486 1.889 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCn2ccnc2C)C1 ZINC000122086290 281150345 /nfs/dbraw/zinc/15/03/45/281150345.db2.gz OFWLIFIJSNCNNC-OAHLLOKOSA-N 2 0 307.442 1.707 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCCn2ccnc2C)C1 ZINC000122086070 281150540 /nfs/dbraw/zinc/15/05/40/281150540.db2.gz OFWLIFIJSNCNNC-HNNXBMFYSA-N 2 0 307.442 1.707 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000246988043 282027251 /nfs/dbraw/zinc/02/72/51/282027251.db2.gz QJALYBWNYNTFKE-IJEWVQPXSA-N 2 0 308.470 1.737 10 0 DDAERP C[NH2+][C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000391019302 307294146 /nfs/dbraw/zinc/29/41/46/307294146.db2.gz OUZOOKRHEBRBCB-HZTRTUMWSA-N 2 0 301.434 1.906 10 0 DDAERP [NH3+]C1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000309704671 490733038 /nfs/dbraw/zinc/73/30/38/490733038.db2.gz HIVVIUJAKZRZPP-INIZCTEOSA-N 2 0 317.433 1.133 10 0 DDAERP COc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261908024 698443970 /nfs/dbraw/zinc/44/39/70/698443970.db2.gz IQGZROPTJYAWFC-XWTMOSNGSA-N 2 0 320.433 1.475 10 0 DDAERP [NH3+]CCC[NH2+]C[C@@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2[C@@H]1C[NH2+]CCC[NH3+] ZINC000096662716 185385390 /nfs/dbraw/zinc/38/53/90/185385390.db2.gz CNGMXDQCLASLHN-GQLSEVEHSA-N 4 0 308.514 1.162 10 0 DDAERP C(=C\CN1CC[NH+]2CCC[C@H]2C1)\CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000255567443 539275163 /nfs/dbraw/zinc/27/51/63/539275163.db2.gz SBCUBXAPHHRWMN-OEHAVNEVSA-N 2 0 304.482 1.103 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180492040 199166336 /nfs/dbraw/zinc/16/63/36/199166336.db2.gz TZCHMRFFBRDQSZ-YJBOKZPZSA-N 2 0 321.465 1.608 10 0 DDAERP C[C@@H](C(=O)N1CCCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000237515079 202266692 /nfs/dbraw/zinc/26/66/92/202266692.db2.gz IIHZDMUFTDIKGF-YOEHRIQHSA-N 2 0 301.434 1.773 10 0 DDAERP C[NH2+][C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cnn(C)c1 ZINC000262419858 203290205 /nfs/dbraw/zinc/29/02/05/203290205.db2.gz RPFVSKCHJUVBFQ-LSDHHAIUSA-N 2 0 307.442 1.013 10 0 DDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000247317042 284343787 /nfs/dbraw/zinc/34/37/87/284343787.db2.gz KSWXBDFMCGOLBH-JKSUJKDBSA-N 2 0 312.502 1.946 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000041681742 183216774 /nfs/dbraw/zinc/21/67/74/183216774.db2.gz VPMVIJCOLKHHRC-CHWSQXEVSA-N 2 0 313.467 1.715 10 0 DDAERP C[NH+](C)CCN1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000061642425 184180275 /nfs/dbraw/zinc/18/02/75/184180275.db2.gz IGUMRVLGVJRIBG-MRXNPFEDSA-N 2 0 310.873 1.519 10 0 DDAERP [NH3+]CCN(CC[NH3+])CCOc1cccc(Br)c1 ZINC000061806365 184188422 /nfs/dbraw/zinc/18/84/22/184188422.db2.gz QRQKHZDVNFSEGK-UHFFFAOYSA-N 2 0 302.216 1.047 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)C[C@@H]1CC ZINC000261893860 286083936 /nfs/dbraw/zinc/08/39/36/286083936.db2.gz UHPRENUGMBWDFJ-HOTGVXAUSA-N 2 0 311.470 1.335 10 0 DDAERP CC[NH+](CC)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000047578126 407076518 /nfs/dbraw/zinc/07/65/18/407076518.db2.gz HWEBZJPZMOUCBC-INIZCTEOSA-N 2 0 306.454 1.930 10 0 DDAERP CC[NH+](CC)Cc1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261742517 407598829 /nfs/dbraw/zinc/59/88/29/407598829.db2.gz OGFUNHLBJJUTOD-UHFFFAOYSA-N 2 0 319.449 1.653 10 0 DDAERP C[C@@H]1CCC[C@](CNC(=O)[C@@H]([NH3+])C2CCOCC2)([NH+](C)C)C1 ZINC000261780608 407614861 /nfs/dbraw/zinc/61/48/61/407614861.db2.gz MXWFEDBLCRGGQK-KMFMINBZSA-N 2 0 311.470 1.367 10 0 DDAERP CCCn1cc(CN2CCCN(C(=O)C[C@H](C)[NH3+])CC2)cn1 ZINC000261845524 407639121 /nfs/dbraw/zinc/63/91/21/407639121.db2.gz PWOAOPYZWIDRPI-AWEZNQCLSA-N 2 0 307.442 1.065 10 0 DDAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)CC(C)C ZINC000262001802 407707905 /nfs/dbraw/zinc/70/79/05/407707905.db2.gz NMTAGNLKGOAQFW-HOTGVXAUSA-N 2 0 313.486 1.613 10 0 DDAERP Cc1cc(NC[C@@H](O)CN2CCOCC2)c2cccc(F)c2n1 ZINC000153023255 407736727 /nfs/dbraw/zinc/73/67/27/407736727.db2.gz JWAYCHDTOHWNPA-CYBMUJFWSA-N 2 0 319.380 1.787 10 0 DDAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190603164 408289018 /nfs/dbraw/zinc/28/90/18/408289018.db2.gz IQKHYHAESCLARZ-KRWDZBQOSA-N 2 0 318.465 1.702 10 0 DDAERP CC(C)[NH+](CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C(C)C ZINC000247479113 408479370 /nfs/dbraw/zinc/47/93/70/408479370.db2.gz SLHUVUNPIZADMQ-CVEARBPZSA-N 2 0 310.486 1.983 10 0 DDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000247595556 408496178 /nfs/dbraw/zinc/49/61/78/408496178.db2.gz SFTGEAVALVHGEJ-OWCLPIDISA-N 2 0 308.470 1.596 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000177039362 408503126 /nfs/dbraw/zinc/50/31/26/408503126.db2.gz XFONRDAQQSMBOH-OAHLLOKOSA-N 2 0 313.405 1.824 10 0 DDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000191479107 163188308 /nfs/dbraw/zinc/18/83/08/163188308.db2.gz BDIFOPFIXGCOTJ-GOSISDBHSA-N 2 0 319.497 1.973 10 0 DDAERP CC(C)[NH+]1CCN(CCCN2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000192770093 163236752 /nfs/dbraw/zinc/23/67/52/163236752.db2.gz DBWRQSAOTRMCFQ-GOSISDBHSA-N 2 0 308.514 1.573 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000389853905 418751102 /nfs/dbraw/zinc/75/11/02/418751102.db2.gz ZMSDYZKUKORDAI-QGPMSJSTSA-N 2 0 301.434 1.765 10 0 DDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389864922 418751300 /nfs/dbraw/zinc/75/13/00/418751300.db2.gz GFROGLWGTQUFAL-USXIJHARSA-N 2 0 303.450 1.997 10 0 DDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378905870 418725981 /nfs/dbraw/zinc/72/59/81/418725981.db2.gz LGKICUWFODWDIK-SQNIBIBYSA-N 2 0 315.461 2.000 10 0 DDAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170835348 276075589 /nfs/dbraw/zinc/07/55/89/276075589.db2.gz BBCUGWLOQNKNDP-KRWDZBQOSA-N 2 0 318.465 1.984 10 0 DDAERP COc1ccc(Br)c(CN(CC[NH3+])CC[NH3+])c1 ZINC000087789445 185231976 /nfs/dbraw/zinc/23/19/76/185231976.db2.gz PJHZMSNPJQIPJP-UHFFFAOYSA-N 2 0 302.216 1.177 10 0 DDAERP CC(C)(C)OC(=O)Nc1cccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)c1 ZINC000616634403 362765025 /nfs/dbraw/zinc/76/50/25/362765025.db2.gz RSDKRMBWZUKECY-HNNXBMFYSA-N 2 0 320.437 1.939 10 0 DDAERP CC[NH+]1CCN(CCCN2Cc3c(cccc3C)[C@@H]2C[NH3+])CC1 ZINC000071683061 191007322 /nfs/dbraw/zinc/00/73/22/191007322.db2.gz QYUBOAZPYMRYMS-IBGZPJMESA-N 2 0 316.493 1.838 10 0 DDAERP C[C@H]1CCC[C@@](C[NH2+]C(C)(C)C)(C[NH+](CCO)CCO)C1 ZINC000089617723 192827346 /nfs/dbraw/zinc/82/73/46/192827346.db2.gz IQMCVKKPCCCVPD-DOTOQJQBSA-N 2 0 300.487 1.858 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c(C)o1 ZINC000091431040 193054992 /nfs/dbraw/zinc/05/49/92/193054992.db2.gz ZQXYGCAQRIVFKN-LBPRGKRZSA-N 2 0 315.439 1.022 10 0 DDAERP CCC[C@](C)([NH3+])C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000262535670 203323116 /nfs/dbraw/zinc/32/31/16/203323116.db2.gz JQVPEMMMSLYGDR-INIZCTEOSA-N 2 0 308.426 1.156 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000093374511 193241081 /nfs/dbraw/zinc/24/10/81/193241081.db2.gz ARYORYPCHZNOQW-GFCCVEGCSA-N 2 0 300.328 1.938 10 0 DDAERP CCN(CCC[NH2+][C@H](C)C[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000093486385 193258656 /nfs/dbraw/zinc/25/86/56/193258656.db2.gz LASBUTYFAKFRDB-KGLIPLIRSA-N 2 0 305.488 1.168 10 0 DDAERP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696637 193291966 /nfs/dbraw/zinc/29/19/66/193291966.db2.gz NUYVEGQJFVBRDP-AWEZNQCLSA-N 2 0 317.499 1.122 10 0 DDAERP CCC([NH3+])(CC)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000094244848 193354635 /nfs/dbraw/zinc/35/46/35/193354635.db2.gz KJNOQIBAQQSTOP-UHFFFAOYSA-N 3 0 300.491 1.236 10 0 DDAERP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020300264 182203744 /nfs/dbraw/zinc/20/37/44/182203744.db2.gz GNBNMXOBFHKIGT-QWHCGFSZSA-N 2 0 300.447 1.321 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000041681320 183215892 /nfs/dbraw/zinc/21/58/92/183215892.db2.gz LKNWBHFDTGAUGG-OAHLLOKOSA-N 2 0 319.515 1.558 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105148693 194079814 /nfs/dbraw/zinc/07/98/14/194079814.db2.gz IHWSLHKRUJZCOP-HZPDHXFCSA-N 2 0 310.486 1.842 10 0 DDAERP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000061644230 184180339 /nfs/dbraw/zinc/18/03/39/184180339.db2.gz FCBZTBWTHUOXAL-HNNXBMFYSA-N 2 0 311.451 1.001 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1CC ZINC000261712714 286084049 /nfs/dbraw/zinc/08/40/49/286084049.db2.gz JIIAWZQBBHVOMZ-HRCADAONSA-N 2 0 311.470 1.463 10 0 DDAERP C[C@@H](O)C1CC[NH+](C/C=C\C[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000255034113 407469211 /nfs/dbraw/zinc/46/92/11/407469211.db2.gz KWMDZKJFDQATIY-SSGMOAHOSA-N 2 0 310.482 1.728 10 0 DDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170833560 407524611 /nfs/dbraw/zinc/52/46/11/407524611.db2.gz NIXWTLWHNHWFKY-GJZGRUSLSA-N 2 0 310.486 1.842 10 0 DDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170833924 407524740 /nfs/dbraw/zinc/52/47/40/407524740.db2.gz IWWURAFMDQSTCH-QXSJWSMHSA-N 2 0 310.486 1.698 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C[C@H]1CC ZINC000261894797 407659420 /nfs/dbraw/zinc/65/94/20/407659420.db2.gz UHPRENUGMBWDFJ-HZPDHXFCSA-N 2 0 311.470 1.335 10 0 DDAERP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000261897862 407660138 /nfs/dbraw/zinc/66/01/38/407660138.db2.gz YHPPUCWPWMVIKG-GFCCVEGCSA-N 2 0 321.425 1.160 10 0 DDAERP CC(C)[NH+](CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C(C)C ZINC000117024376 407808136 /nfs/dbraw/zinc/80/81/36/407808136.db2.gz GCIVZUSIJFYQGO-HNNXBMFYSA-N 2 0 314.474 1.077 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000181046749 407949398 /nfs/dbraw/zinc/94/93/98/407949398.db2.gz FRWORPKDNRIEQU-RDJZCZTQSA-N 2 0 318.465 1.852 10 0 DDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000247181510 408424863 /nfs/dbraw/zinc/42/48/63/408424863.db2.gz KZIBRKBEVWTDQX-LTIDMASMSA-N 2 0 322.497 1.985 10 0 DDAERP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000247439048 408469640 /nfs/dbraw/zinc/46/96/40/408469640.db2.gz RWNGSMQFAMEFGI-OWCLPIDISA-N 2 0 310.486 1.746 10 0 DDAERP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@H]2C1 ZINC000249840555 408768967 /nfs/dbraw/zinc/76/89/67/408768967.db2.gz WHQNPTQXXZIUMO-ROUUACIJSA-N 2 0 313.445 1.958 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000262473838 163834249 /nfs/dbraw/zinc/83/42/49/163834249.db2.gz YPBPLISFTBIAFY-AWEZNQCLSA-N 2 0 304.394 1.115 10 0 DDAERP C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000351884719 410316839 /nfs/dbraw/zinc/31/68/39/410316839.db2.gz FIAGRXAXVOTJBQ-USXIJHARSA-N 2 0 301.434 1.765 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247092888 279126786 /nfs/dbraw/zinc/12/67/86/279126786.db2.gz IEGYMPRGROUZGC-ARFHVFGLSA-N 2 0 310.486 1.841 10 0 DDAERP Cc1csc([C@@H]2CCCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)n1 ZINC000262196832 698458534 /nfs/dbraw/zinc/45/85/34/698458534.db2.gz RXVAMEJPCPFYIO-AWEZNQCLSA-N 2 0 322.478 1.800 10 0 DDAERP Cc1csc([C@H]2CCCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)n1 ZINC000262196833 698458678 /nfs/dbraw/zinc/45/86/78/698458678.db2.gz RXVAMEJPCPFYIO-CQSZACIVSA-N 2 0 322.478 1.800 10 0 DDAERP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H]3CCCC[C@H]3O)C2)ccn1 ZINC000886062967 708690789 /nfs/dbraw/zinc/69/07/89/708690789.db2.gz DKSXBECBQVHFMI-KZNAEPCWSA-N 2 0 319.449 1.900 10 0 DDAERP Cc1cc(N)nc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000893335800 710603997 /nfs/dbraw/zinc/60/39/97/710603997.db2.gz WDXWXWBRFSJHKQ-OAHLLOKOSA-N 2 0 312.421 1.721 10 0 DDAERP CC[NH+]1CCC(C[NH3+])(N2CCN(c3nccs3)CC2)CC1 ZINC000019987220 182174652 /nfs/dbraw/zinc/17/46/52/182174652.db2.gz BVJLMNRHPNRCQF-UHFFFAOYSA-N 2 0 309.483 1.078 10 0 DDAERP C[C@H]1C[N@H+](Cc2ccsc2)C[C@@]12CCN(CC[NH+](C)C)C2=O ZINC000247950652 257114620 /nfs/dbraw/zinc/11/46/20/257114620.db2.gz BWALEPSYTHRCQS-YOEHRIQHSA-N 2 0 321.490 1.980 10 0 DDAERP C[NH+](C)C1CCN(c2ncc(Br)cc2C[NH3+])CC1 ZINC000051396906 134762934 /nfs/dbraw/zinc/76/29/34/134762934.db2.gz HOOOIVPBTWIYSP-UHFFFAOYSA-N 2 0 313.243 1.833 10 0 DDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000171043065 407579120 /nfs/dbraw/zinc/57/91/20/407579120.db2.gz HAZJIWOHUKCFRG-CABCVRRESA-N 2 0 300.491 1.992 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000114481333 407582931 /nfs/dbraw/zinc/58/29/31/407582931.db2.gz LVQYQEHFOLPAJW-NVXWUHKLSA-N 2 0 322.497 1.144 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)C1CCCCC1 ZINC000170829617 407520255 /nfs/dbraw/zinc/52/02/55/407520255.db2.gz WCNPQWLFMHZVMC-HOTGVXAUSA-N 2 0 310.486 1.842 10 0 DDAERP [NH3+]C1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCOCC1 ZINC000261869753 407650148 /nfs/dbraw/zinc/65/01/48/407650148.db2.gz OBENXPOREHLLBS-UHFFFAOYSA-N 2 0 317.433 1.407 10 0 DDAERP Cc1csc([C@@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)n1 ZINC000262244474 407773609 /nfs/dbraw/zinc/77/36/09/407773609.db2.gz WJFJYQZBOYMFJK-CQSZACIVSA-N 2 0 322.478 1.453 10 0 DDAERP CCC[C@H]([NH3+])C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262713460 407906022 /nfs/dbraw/zinc/90/60/22/407906022.db2.gz SQLYXUFMPHKMHF-INIZCTEOSA-N 2 0 313.486 1.711 10 0 DDAERP CCCC[C@H](C(=O)OC)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247129746 408415100 /nfs/dbraw/zinc/41/51/00/408415100.db2.gz KGUUYNUGBKDKMS-GOEBONIOSA-N 2 0 314.470 1.743 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CCCC[NH+]1CC ZINC000177505351 408643257 /nfs/dbraw/zinc/64/32/57/408643257.db2.gz RTPDPPZZPJZYGN-HOTGVXAUSA-N 2 0 310.486 1.987 10 0 DDAERP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000163886277 408794086 /nfs/dbraw/zinc/79/40/86/408794086.db2.gz YCIUJOLTPGNTRV-UONOGXRCSA-N 2 0 319.453 1.996 10 0 DDAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccco1 ZINC000178327707 408805393 /nfs/dbraw/zinc/80/53/93/408805393.db2.gz VEWGLZXFQRUJOJ-HNNXBMFYSA-N 2 0 316.405 1.908 10 0 DDAERP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105127607 278342168 /nfs/dbraw/zinc/34/21/68/278342168.db2.gz WRRNDMDCERGCHG-JKSUJKDBSA-N 2 0 308.470 1.598 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247085373 282033429 /nfs/dbraw/zinc/03/34/29/282033429.db2.gz PNOJGMLTTVINNB-ARFHVFGLSA-N 2 0 310.486 1.985 10 0 DDAERP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171906008 298239173 /nfs/dbraw/zinc/23/91/73/298239173.db2.gz PDMUYFZMCARHHH-INIZCTEOSA-N 2 0 308.470 1.598 10 0 DDAERP [NH3+]C1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCOCC1 ZINC000261640948 303355533 /nfs/dbraw/zinc/35/55/33/303355533.db2.gz DEVWKDXIDCLKFU-MRXNPFEDSA-N 2 0 317.433 1.448 10 0 DDAERP [NH3+]CCc1cccc(CN2CC[C@](O)(C[NH+]3CCCCC3)C2)c1 ZINC000077321469 303390141 /nfs/dbraw/zinc/39/01/41/303390141.db2.gz TXVXUGHSNYOQTK-IBGZPJMESA-N 2 0 317.477 1.611 10 0 DDAERP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262326347 484269269 /nfs/dbraw/zinc/26/92/69/484269269.db2.gz RVCMOGSXRLEEEM-DLBZAZTESA-N 2 0 319.449 1.229 10 0 DDAERP CCC[NH+]1CCN(c2nc(C)nc3c2NC(=O)[C@H](C)N3)CC1 ZINC000224024133 697763895 /nfs/dbraw/zinc/76/38/95/697763895.db2.gz METXBYIEOZSYPF-JTQLQIEISA-N 2 0 304.398 1.070 10 0 DDAERP C[C@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000261905464 698444089 /nfs/dbraw/zinc/44/40/89/698444089.db2.gz VQBVMTPDNBUXLC-JSGCOSHPSA-N 2 0 318.421 1.060 10 0 DDAERP C[NH+](C)CCNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088541922 185255975 /nfs/dbraw/zinc/25/59/75/185255975.db2.gz MNNFAVIDXOLJHN-UHFFFAOYSA-N 2 0 303.428 1.008 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000092632504 185330330 /nfs/dbraw/zinc/33/03/30/185330330.db2.gz YJULUDKBRNZJCL-OAHLLOKOSA-N 2 0 317.499 1.122 10 0 DDAERP C[NH+](C)Cc1ccc2c(c1)[C@@H](C[NH3+])N(C1CCC(O)CC1)C2 ZINC000071683825 191006568 /nfs/dbraw/zinc/00/65/68/191006568.db2.gz PSPJBCSGLKHRED-LEOMRAHMSA-N 2 0 303.450 1.867 10 0 DDAERP COc1cc2c(c(OC)c1)[C@H](C[NH3+])N(CCCC[NH+](C)C)C2 ZINC000071683936 191008694 /nfs/dbraw/zinc/00/86/94/191008694.db2.gz LDNAGYUVSFEQTE-HNNXBMFYSA-N 2 0 307.438 1.861 10 0 DDAERP Cc1cc(C)n(-c2nc(C[NH+]3CCC(C[NH3+])CC3)cc(=O)[nH]2)n1 ZINC000073696251 191342806 /nfs/dbraw/zinc/34/28/06/191342806.db2.gz JEZYAJDVSZXKRO-UHFFFAOYSA-N 2 0 316.409 1.155 10 0 DDAERP C[C@H]([NH3+])CCC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000193324748 201030538 /nfs/dbraw/zinc/03/05/38/201030538.db2.gz ZNBBPUWQGUFNND-NVBFEUDRSA-N 2 0 311.376 1.654 10 0 DDAERP Clc1ccc(N2CC[NH+](CC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000091313665 193037893 /nfs/dbraw/zinc/03/78/93/193037893.db2.gz UKEANHGIFNTDQH-INIZCTEOSA-N 2 0 309.841 1.841 10 0 DDAERP CCC[N@H+](CCCC[C@@](C)([NH3+])C(=O)OCC)CCN(C)C ZINC000041675140 183215635 /nfs/dbraw/zinc/21/56/35/183215635.db2.gz ITUABUNQUQKWFC-MRXNPFEDSA-N 2 0 301.475 1.711 10 0 DDAERP CCC[C@@H](C(N)=S)[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC000109470334 194267145 /nfs/dbraw/zinc/26/71/45/194267145.db2.gz AHRJYJQJEJXRTG-AWEZNQCLSA-N 2 0 300.516 1.401 10 0 DDAERP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000061644246 184180577 /nfs/dbraw/zinc/18/05/77/184180577.db2.gz OPCOQEIINSXCAC-HNNXBMFYSA-N 2 0 311.451 1.001 10 0 DDAERP C[C@@H](CNS(=O)(=O)c1ccc(C[NH3+])cc1)C[NH+]1CCCC1 ZINC000062072899 184204297 /nfs/dbraw/zinc/20/42/97/184204297.db2.gz XYNGLZKCCPZBIX-ZDUSSCGKSA-N 2 0 311.451 1.156 10 0 DDAERP CCC1(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[NH2+]CC1 ZINC000062851189 184256497 /nfs/dbraw/zinc/25/64/97/184256497.db2.gz SJZRFENLYQPRJJ-UHFFFAOYSA-N 2 0 310.463 1.960 10 0 DDAERP CC(C)[NH+](CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)C(C)C ZINC000113578066 407516586 /nfs/dbraw/zinc/51/65/86/407516586.db2.gz SLHUVUNPIZADMQ-JKSUJKDBSA-N 2 0 310.486 1.983 10 0 DDAERP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000170835351 407525345 /nfs/dbraw/zinc/52/53/45/407525345.db2.gz BBCUGWLOQNKNDP-QGZVFWFLSA-N 2 0 318.465 1.984 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000152425225 407631736 /nfs/dbraw/zinc/63/17/36/407631736.db2.gz DVJYFOOYPSDDME-ZACQAIPSSA-N 2 0 322.497 1.985 10 0 DDAERP CC(C)c1nc2c(n1C)CCN(C(=O)[C@H]([NH3+])C1CCOCC1)C2 ZINC000261886100 407658135 /nfs/dbraw/zinc/65/81/35/407658135.db2.gz VBPXXMDADCDMLN-OAHLLOKOSA-N 2 0 320.437 1.182 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000271448758 407688979 /nfs/dbraw/zinc/68/89/79/407688979.db2.gz HVRPTNJBOUTOSM-NZSAHSFTSA-N 2 0 317.477 1.817 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000262295599 407788844 /nfs/dbraw/zinc/78/88/44/407788844.db2.gz NISNHZZRJLXLKH-YOEHRIQHSA-N 2 0 319.449 1.651 10 0 DDAERP [NH3+][C@@H]1CC[C@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000237958183 407857387 /nfs/dbraw/zinc/85/73/87/407857387.db2.gz MMYXCELUZVWDKL-JKSUJKDBSA-N 2 0 323.481 1.513 10 0 DDAERP CC(C)(C)c1cc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000262566241 407867656 /nfs/dbraw/zinc/86/76/56/407867656.db2.gz WREZNEDFDLQUHC-SDDRHHMPSA-N 2 0 306.410 1.580 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000174712612 407978248 /nfs/dbraw/zinc/97/82/48/407978248.db2.gz HYEAUWJYGYXLBN-IAGOWNOFSA-N 2 0 322.497 1.987 10 0 DDAERP CC[C@@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000245702286 408045758 /nfs/dbraw/zinc/04/57/58/408045758.db2.gz CQOXGWQRBYSUOZ-GOEBONIOSA-N 2 0 311.470 1.070 10 0 DDAERP COCCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151118610 408260634 /nfs/dbraw/zinc/26/06/34/408260634.db2.gz PPCQYDHFYVLTDI-OAHLLOKOSA-N 2 0 320.437 1.277 10 0 DDAERP CC[N@H+](CCNC(=O)N1CCC[C@H]1Cn1ccnc1C)C1CC1 ZINC000176083169 408282648 /nfs/dbraw/zinc/28/26/48/408282648.db2.gz NVHKHFLRESZPMH-INIZCTEOSA-N 2 0 319.453 1.850 10 0 DDAERP C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151299614 408290922 /nfs/dbraw/zinc/29/09/22/408290922.db2.gz HXPRWIMOZQVZRY-GOEBONIOSA-N 2 0 320.433 1.955 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000176170273 408300616 /nfs/dbraw/zinc/30/06/16/408300616.db2.gz OCQIRLQLDHVUEE-MRXNPFEDSA-N 2 0 310.486 1.988 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000246759162 408333561 /nfs/dbraw/zinc/33/35/61/408333561.db2.gz BSWIOMZVOPTQJZ-BZUAXINKSA-N 2 0 310.486 1.841 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000171904957 162246008 /nfs/dbraw/zinc/24/60/08/162246008.db2.gz RFCAKBHTFWJZHQ-HZPDHXFCSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247112005 408410467 /nfs/dbraw/zinc/41/04/67/408410467.db2.gz ITBAVCVTDSBHHD-BRWVUGGUSA-N 2 0 322.497 1.985 10 0 DDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000261692140 279620576 /nfs/dbraw/zinc/62/05/76/279620576.db2.gz RZTVGWLCOZCVBI-OHDUNHEQSA-N 2 0 313.445 1.723 10 0 DDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3=CCCOC3)C2)[C@@H]1C(C)C ZINC000888097821 709212544 /nfs/dbraw/zinc/21/25/44/709212544.db2.gz QAGRBXKKHKPNSA-BDXSIMOUSA-N 2 0 308.466 1.793 10 0 DDAERP CC[NH+](CC)CCCNc1nc(NN)[nH+]cc1Br ZINC000087904957 185237433 /nfs/dbraw/zinc/23/74/33/185237433.db2.gz QHJMWJNQNPOLJA-UHFFFAOYSA-N 2 0 317.235 1.669 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C[NH3+])cs1 ZINC000092680030 185333463 /nfs/dbraw/zinc/33/34/63/185333463.db2.gz WVEICNKNFICLIN-GFCCVEGCSA-N 2 0 317.480 1.312 10 0 DDAERP CN(C[C@H]1CCC[N@@H+]1C)c1ncc(Br)cc1C[NH3+] ZINC000092673259 185333026 /nfs/dbraw/zinc/33/30/26/185333026.db2.gz AWEMQOZMIAQPNK-GFCCVEGCSA-N 2 0 313.243 1.833 10 0 DDAERP [NH3+]C[C@H](c1ccc(Br)o1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094458745 193371081 /nfs/dbraw/zinc/37/10/81/193371081.db2.gz XWJUPPPLKQEUJG-GHMZBOCLSA-N 2 0 314.227 1.822 10 0 DDAERP CCn1cc(C[N@@H+]2CCC[C@@H](N(C)CC[NH+](C)C)C2)c(C)n1 ZINC000019224399 182108295 /nfs/dbraw/zinc/10/82/95/182108295.db2.gz ZFOAYXIPFVXGOI-QGZVFWFLSA-N 2 0 307.486 1.669 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000041681328 183215861 /nfs/dbraw/zinc/21/58/61/183215861.db2.gz DUWVLLZVGGASSQ-ZIAGYGMSSA-N 2 0 305.488 1.168 10 0 DDAERP CCOC(=O)CCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862716 194150027 /nfs/dbraw/zinc/15/00/27/194150027.db2.gz AQUOSSOUKDHHMB-CQSZACIVSA-N 2 0 300.443 1.354 10 0 DDAERP C[NH+](C)CCO[C@@H]1C[N@H+](Cc2ccccn2)[C@H]2CCCO[C@@H]12 ZINC000247976344 257113599 /nfs/dbraw/zinc/11/35/99/257113599.db2.gz IOAMHYMTHPRNIO-GVDBMIGSSA-N 2 0 305.422 1.392 10 0 DDAERP COCC[N@@H+]1CCO[C@H]2C[NH+](Cc3ccncc3)CC[C@H]2C1 ZINC000247894693 257115354 /nfs/dbraw/zinc/11/53/54/257115354.db2.gz UNTHNURAHLKOQH-IRXDYDNUSA-N 2 0 305.422 1.251 10 0 DDAERP CC[NH+](CC)CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000047578127 407076365 /nfs/dbraw/zinc/07/63/65/407076365.db2.gz HWEBZJPZMOUCBC-MRXNPFEDSA-N 2 0 306.454 1.930 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261685466 407579306 /nfs/dbraw/zinc/57/93/06/407579306.db2.gz KHRFKJUDHLVOIX-CRAIPNDOSA-N 2 0 315.461 1.965 10 0 DDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170829672 407520690 /nfs/dbraw/zinc/52/06/90/407520690.db2.gz PBSZYSJLLAIRKW-XHSDSOJGSA-N 2 0 310.486 1.700 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)C[C@@H]1CC ZINC000261893858 407661020 /nfs/dbraw/zinc/66/10/20/407661020.db2.gz UHPRENUGMBWDFJ-CVEARBPZSA-N 2 0 311.470 1.335 10 0 DDAERP C[NH+](C)CC1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000178976632 407679500 /nfs/dbraw/zinc/67/95/00/407679500.db2.gz ZCRZIXQAABMONL-UYSNPLJNSA-N 2 0 308.470 1.596 10 0 DDAERP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(OC)c1OC ZINC000262529717 407859382 /nfs/dbraw/zinc/85/93/82/407859382.db2.gz PKCAFOXKNOFYOV-MELADBBJSA-N 2 0 306.406 1.882 10 0 DDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263097190 408023440 /nfs/dbraw/zinc/02/34/40/408023440.db2.gz YYXWEKVNRKUHTE-BPLDGKMQSA-N 2 0 323.387 1.935 10 0 DDAERP COC(=O)[C@H](c1cccnc1)N1CCC[C@H]1Cn1ccnc1C ZINC000154542095 408047882 /nfs/dbraw/zinc/04/78/82/408047882.db2.gz DEKHJQDSIXABSD-HOTGVXAUSA-N 2 0 314.389 1.965 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000246426951 408253159 /nfs/dbraw/zinc/25/31/59/408253159.db2.gz STDNYWBNFQFLSY-INMHGKMJSA-N 2 0 320.481 1.739 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247336985 408455596 /nfs/dbraw/zinc/45/55/96/408455596.db2.gz NGSVKPKYOROZMK-QXSJWSMHSA-N 2 0 310.486 1.887 10 0 DDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000247093655 408405013 /nfs/dbraw/zinc/40/50/13/408405013.db2.gz JNYUQDZNPLOIRJ-GOEBONIOSA-N 2 0 310.486 1.698 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000247095366 408405452 /nfs/dbraw/zinc/40/54/52/408405452.db2.gz JRDBTQWUNYXIEL-OAGGEKHMSA-N 2 0 310.486 1.746 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000247107207 408409738 /nfs/dbraw/zinc/40/97/38/408409738.db2.gz DRHSUQKRUVGYSS-KGLIPLIRSA-N 2 0 320.441 1.145 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247390623 408461606 /nfs/dbraw/zinc/46/16/06/408461606.db2.gz QKOISHHFLSRLTC-OAGGEKHMSA-N 2 0 312.502 1.991 10 0 DDAERP Cc1ccc([C@H](C)NCc2cnc(N3CCN(C)CC3)nc2)o1 ZINC000129592615 196060775 /nfs/dbraw/zinc/06/07/75/196060775.db2.gz YBKIEWMQHUZQQN-AWEZNQCLSA-N 2 0 315.421 1.981 10 0 DDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193693964 418534132 /nfs/dbraw/zinc/53/41/32/418534132.db2.gz ZJUYSYUJRFDTDL-AWEZNQCLSA-N 2 0 310.486 1.890 10 0 DDAERP COC[C@@]1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649332212 423758371 /nfs/dbraw/zinc/75/83/71/423758371.db2.gz GXQRJZIOWDQZEL-MAUKXSAKSA-N 2 0 319.449 1.392 10 0 DDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247196560 276363222 /nfs/dbraw/zinc/36/32/22/276363222.db2.gz LLEULJFVTDRIJZ-OAGGEKHMSA-N 2 0 308.470 1.739 10 0 DDAERP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000111875508 279331735 /nfs/dbraw/zinc/33/17/35/279331735.db2.gz XQIWZANWKZWUDR-NVXWUHKLSA-N 2 0 318.465 1.852 10 0 DDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1C[C@H](C)O ZINC000263086863 280367696 /nfs/dbraw/zinc/36/76/96/280367696.db2.gz YBHRPMLNQVXXTJ-QSJFSLAZSA-N 2 0 311.470 1.198 10 0 DDAERP C[NH+](C)CCN[C@H](C[NH3+])c1ccc(Br)cc1F ZINC000087912153 185237413 /nfs/dbraw/zinc/23/74/13/185237413.db2.gz LBFXPRHKVYWUBD-GFCCVEGCSA-N 2 0 304.207 1.739 10 0 DDAERP CC(C)C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+](C)C)o1 ZINC000088542703 185256514 /nfs/dbraw/zinc/25/65/14/185256514.db2.gz GOWVEUDUZSGTSM-GFCCVEGCSA-N 2 0 317.455 1.254 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC(C)C)o1 ZINC000088544072 185256572 /nfs/dbraw/zinc/25/65/72/185256572.db2.gz NIWHCXLZXRDKNS-UHFFFAOYSA-N 2 0 317.455 1.207 10 0 DDAERP CCCCOC[C@H](O)C[NH+]1CCN(c2cc(OC)ccn2)CC1 ZINC000193378032 201041686 /nfs/dbraw/zinc/04/16/86/201041686.db2.gz CFBYVLOJFZQCAT-OAHLLOKOSA-N 2 0 323.437 1.390 10 0 DDAERP CC[NH+](CC)CC[C@@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700742 193294552 /nfs/dbraw/zinc/29/45/52/193294552.db2.gz IGXXQMGBCQJXOB-ZIAGYGMSSA-N 2 0 305.488 1.107 10 0 DDAERP CC[NH+](CC)CC[C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093700745 193294975 /nfs/dbraw/zinc/29/49/75/193294975.db2.gz FBBLMJRFNMUVPK-CABCVRRESA-N 2 0 319.515 1.368 10 0 DDAERP [NH3+]CCN(CC[NH3+])CCNc1ccnc2cc(Cl)ccc21 ZINC000040575797 183104254 /nfs/dbraw/zinc/10/42/54/183104254.db2.gz KMCOYLWRSCNRGN-UHFFFAOYSA-N 2 0 307.829 1.520 10 0 DDAERP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCN(CCO)CC1 ZINC000043252744 183347207 /nfs/dbraw/zinc/34/72/07/183347207.db2.gz IZERDAMDKMZTAD-MFKMUULPSA-N 2 0 303.859 1.400 10 0 DDAERP CC(C)[NH+](CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C(C)C ZINC000105075576 194070389 /nfs/dbraw/zinc/07/03/89/194070389.db2.gz ZGASQKXPJDNZMC-INIZCTEOSA-N 2 0 310.486 1.985 10 0 DDAERP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000638276593 422795438 /nfs/dbraw/zinc/79/54/38/422795438.db2.gz SSHWDEFUFVHESH-CWRNSKLLSA-N 2 0 305.422 1.082 10 0 DDAERP CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)CCC[NH2+]C(C)C ZINC000049641141 183750346 /nfs/dbraw/zinc/75/03/46/183750346.db2.gz MCGQXQNURJBZDR-HNNXBMFYSA-N 2 0 321.531 1.804 10 0 DDAERP CCc1nc(N2CC[C@H]([NH+](C)C)C2)sc1C[NH2+]CCOC ZINC000110275414 194319382 /nfs/dbraw/zinc/31/93/82/194319382.db2.gz AXGYHEWGADLSLY-LBPRGKRZSA-N 2 0 312.483 1.582 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)CCC2CC[NH2+]CC2)C1 ZINC000110318249 194321407 /nfs/dbraw/zinc/32/14/07/194321407.db2.gz JWTZMIIUDMBBOO-OAHLLOKOSA-N 2 0 317.499 1.122 10 0 DDAERP C[C@H]1CN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)CC[N@@H+]1C ZINC000110707356 194352700 /nfs/dbraw/zinc/35/27/00/194352700.db2.gz RLKMAABQIUDIQS-GWCFXTLKSA-N 2 0 311.813 1.704 10 0 DDAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000062961222 184262538 /nfs/dbraw/zinc/26/25/38/184262538.db2.gz CIPHKJGLBOGMJQ-INIZCTEOSA-N 2 0 310.463 1.805 10 0 DDAERP C[C@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000106916859 407367504 /nfs/dbraw/zinc/36/75/04/407367504.db2.gz ZAVQBYZNGJTKTB-RHSMWYFYSA-N 2 0 303.450 1.758 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000114481335 407584521 /nfs/dbraw/zinc/58/45/21/407584521.db2.gz LVQYQEHFOLPAJW-DOTOQJQBSA-N 2 0 322.497 1.144 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262357319 407808564 /nfs/dbraw/zinc/80/85/64/407808564.db2.gz VDQODQABHPKMBK-IZBFETAHSA-N 2 0 305.466 1.835 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000262376697 407816589 /nfs/dbraw/zinc/81/65/89/407816589.db2.gz XIVXSJGBNVWGCZ-KRWDZBQOSA-N 2 0 319.449 1.873 10 0 DDAERP COc1ccc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000262401962 407824342 /nfs/dbraw/zinc/82/43/42/407824342.db2.gz CJFVGEQNHICPRH-SUHUHFCYSA-N 2 0 323.824 1.956 10 0 DDAERP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(-c2cnn(C)c2)c1 ZINC000263232507 408066916 /nfs/dbraw/zinc/06/69/16/408066916.db2.gz NOSYTYNCRGXKBQ-RHSMWYFYSA-N 2 0 300.406 1.065 10 0 DDAERP CC(C)COC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171624541 162229906 /nfs/dbraw/zinc/22/99/06/162229906.db2.gz UGSQHOWQPYKDEW-WBVHZDCISA-N 2 0 316.486 1.045 10 0 DDAERP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000172192300 162263516 /nfs/dbraw/zinc/26/35/16/162263516.db2.gz VHOKOZLIPQMLRA-HUUCEWRRSA-N 2 0 310.486 1.842 10 0 DDAERP C(CCN1CC[N@@H+]2CCC[C@H]2C1)CN1CC[NH+]2CCC[C@H]2C1 ZINC000246922778 408367513 /nfs/dbraw/zinc/36/75/13/408367513.db2.gz ILZOATBZKXFVPR-ROUUACIJSA-N 2 0 306.498 1.327 10 0 DDAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000247112015 408409177 /nfs/dbraw/zinc/40/91/77/408409177.db2.gz ITBAVCVTDSBHHD-ZACQAIPSSA-N 2 0 322.497 1.985 10 0 DDAERP CC(C)COC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247254299 408438489 /nfs/dbraw/zinc/43/84/89/408438489.db2.gz UGSQHOWQPYKDEW-DOTOQJQBSA-N 2 0 316.486 1.045 10 0 DDAERP CCC[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+](C)C ZINC000162210881 408679111 /nfs/dbraw/zinc/67/91/11/408679111.db2.gz MNSYCYCBSMHWSS-GDBMZVCRSA-N 2 0 311.470 1.334 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C)[NH+](CC)CC ZINC000246189546 163463731 /nfs/dbraw/zinc/46/37/31/163463731.db2.gz MJVDRGQTFIYOQC-ARFHVFGLSA-N 2 0 310.486 1.985 10 0 DDAERP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638511885 422936874 /nfs/dbraw/zinc/93/68/74/422936874.db2.gz CHEPYMIVDGTPJE-QZTJIDSGSA-N 2 0 315.461 1.965 10 0 DDAERP CC(C)[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638511881 422936944 /nfs/dbraw/zinc/93/69/44/422936944.db2.gz CHEPYMIVDGTPJE-MSOLQXFVSA-N 2 0 315.461 1.965 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000245422626 279325666 /nfs/dbraw/zinc/32/56/66/279325666.db2.gz PXEMMKQYAYEJJN-CVEARBPZSA-N 2 0 310.486 1.844 10 0 DDAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)CCO1 ZINC000262996088 288134012 /nfs/dbraw/zinc/13/40/12/288134012.db2.gz OFXGUIVYTWZEOI-UWWQBHOKSA-N 2 0 323.481 1.606 10 0 DDAERP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC000261614940 484252226 /nfs/dbraw/zinc/25/22/26/484252226.db2.gz ABMUHACOYRPXMR-RHSMWYFYSA-N 2 0 322.497 1.036 10 0 DDAERP [NH3+][C@H](Cc1ccccc1)C(=O)NC1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000261747045 484255891 /nfs/dbraw/zinc/25/58/91/484255891.db2.gz DZERYXVYMSMQPB-QSFKDOLUSA-N 2 0 301.434 1.579 10 0 DDAERP O[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309748014 698666806 /nfs/dbraw/zinc/66/68/06/698666806.db2.gz YIXJGBRWZLDJNW-MDMSPXHWSA-N 2 0 302.418 1.246 10 0 DDAERP CN(C)C(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309789453 698667218 /nfs/dbraw/zinc/66/72/18/698667218.db2.gz OGXHPDWMLAEFRN-FGTMMUONSA-N 2 0 315.461 1.965 10 0 DDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000079253771 185162470 /nfs/dbraw/zinc/16/24/70/185162470.db2.gz FXHFKLWHUWQDDU-GJZGRUSLSA-N 2 0 300.491 1.992 10 0 DDAERP C[NH+](C)CCN[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000087912140 185237305 /nfs/dbraw/zinc/23/73/05/185237305.db2.gz ZHGCCTFKNYPPDC-LBPRGKRZSA-N 2 0 304.207 1.739 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)o1 ZINC000088543189 185256164 /nfs/dbraw/zinc/25/61/64/185256164.db2.gz FKKOGVNBQMCOIL-NSHDSACASA-N 2 0 303.428 1.008 10 0 DDAERP CC(C)[NH2+]Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)o1 ZINC000088542134 185256535 /nfs/dbraw/zinc/25/65/35/185256535.db2.gz NDCUYVJXFYYINU-UHFFFAOYSA-N 2 0 303.428 1.008 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C[NH3+])oc1C ZINC000092680068 185333499 /nfs/dbraw/zinc/33/34/99/185333499.db2.gz WORZYAPPTIDPCZ-LBPRGKRZSA-N 2 0 315.439 1.152 10 0 DDAERP CN(C[C@@H]1CCC[N@@H+]1C)c1ncc(Br)cc1C[NH3+] ZINC000092673260 185333178 /nfs/dbraw/zinc/33/31/78/185333178.db2.gz AWEMQOZMIAQPNK-LBPRGKRZSA-N 2 0 313.243 1.833 10 0 DDAERP C[C@@H](O)CN1Cc2c(cccc2OC2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000071684977 191008682 /nfs/dbraw/zinc/00/86/82/191008682.db2.gz SNNWRASOXAKNSS-DYVFJYSZSA-N 2 0 319.449 1.356 10 0 DDAERP CC[NH+](CC)CCN1Cc2cc(OC)cc(OC)c2[C@@H]1C[NH3+] ZINC000071683934 191009110 /nfs/dbraw/zinc/00/91/10/191009110.db2.gz DOCMOBHUYQIIBU-HNNXBMFYSA-N 2 0 307.438 1.861 10 0 DDAERP C[NH+](C)CC(=O)N1CCC(C[NH3+])(CCc2ccccc2)CC1 ZINC000219255007 354313362 /nfs/dbraw/zinc/31/33/62/354313362.db2.gz VSDQLOCGMMSFET-UHFFFAOYSA-N 2 0 303.450 1.748 10 0 DDAERP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089402473 192781690 /nfs/dbraw/zinc/78/16/90/192781690.db2.gz OBPQFGYQPYXTSE-CABCVRRESA-N 2 0 310.463 1.945 10 0 DDAERP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000193376219 201040593 /nfs/dbraw/zinc/04/05/93/201040593.db2.gz UFQQIVKOMZPXNB-CVEARBPZSA-N 2 0 307.438 1.993 10 0 DDAERP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[NH+](C)C)cc1 ZINC000261872855 203140079 /nfs/dbraw/zinc/14/00/79/203140079.db2.gz TXYZXGGNNWVBAX-OAGGEKHMSA-N 2 0 305.422 1.220 10 0 DDAERP CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000093464819 193255774 /nfs/dbraw/zinc/25/57/74/193255774.db2.gz COZKIQJHKRSGFU-DZGCQCFKSA-N 2 0 317.499 1.311 10 0 DDAERP CC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000093698427 193292800 /nfs/dbraw/zinc/29/28/00/193292800.db2.gz RBCPMHWBOVXSLG-RRFJBIMHSA-N 2 0 317.499 1.107 10 0 DDAERP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000636281928 422775633 /nfs/dbraw/zinc/77/56/33/422775633.db2.gz CZGBQKPPPSIVIL-AQDIXCGQSA-N 2 0 318.421 1.271 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000041681332 183216185 /nfs/dbraw/zinc/21/61/85/183216185.db2.gz ZOZRQIXNUAXHTR-AWEZNQCLSA-N 2 0 305.488 1.122 10 0 DDAERP C[NH+]1CCC(CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105245514 194087447 /nfs/dbraw/zinc/08/74/47/194087447.db2.gz PGORYIGRFHPPEI-MRXNPFEDSA-N 2 0 308.470 1.598 10 0 DDAERP CN(CCC[NH+](C)C)c1ncc(Br)cc1C[NH3+] ZINC000111149389 194394989 /nfs/dbraw/zinc/39/49/89/194394989.db2.gz GHNVIDBBXSFMKU-UHFFFAOYSA-N 2 0 301.232 1.691 10 0 DDAERP [NH3+]CCN(CC[NH3+])CCOc1ccc(Br)cc1 ZINC000061806368 184188521 /nfs/dbraw/zinc/18/85/21/184188521.db2.gz CMPQRHHWIOGSPZ-UHFFFAOYSA-N 2 0 302.216 1.047 10 0 DDAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1O ZINC000121107997 195294144 /nfs/dbraw/zinc/29/41/44/195294144.db2.gz ADVILKQQHJJCHX-AWEZNQCLSA-N 2 0 322.449 1.925 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccs1 ZINC000170862483 407534471 /nfs/dbraw/zinc/53/44/71/407534471.db2.gz PYXUYKLSXYWWRK-OLZOCXBDSA-N 2 0 310.467 1.696 10 0 DDAERP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)NC1CCCCC1 ZINC000261873250 407650292 /nfs/dbraw/zinc/65/02/92/407650292.db2.gz DJKAMDHXRQZLCD-BBWFWOEESA-N 2 0 323.481 1.572 10 0 DDAERP COC[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000262202294 407762409 /nfs/dbraw/zinc/76/24/09/407762409.db2.gz DDBHHFKIKCNAOG-QGZVFWFLSA-N 2 0 319.449 1.331 10 0 DDAERP C[NH+](C)Cc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000116797242 407780977 /nfs/dbraw/zinc/78/09/77/407780977.db2.gz DANHKXIVXCMHIQ-MRXNPFEDSA-N 2 0 305.422 1.151 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000262319715 407796987 /nfs/dbraw/zinc/79/69/87/407796987.db2.gz QVJVWZQETPAZKI-OAHLLOKOSA-N 2 0 305.422 1.161 10 0 DDAERP CC(C)[NH+](CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1)C(C)C ZINC000117024373 407806012 /nfs/dbraw/zinc/80/60/12/407806012.db2.gz GCIVZUSIJFYQGO-OAHLLOKOSA-N 2 0 314.474 1.077 10 0 DDAERP CN(CC1CC[NH+](C)CC1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262735066 407911643 /nfs/dbraw/zinc/91/16/43/407911643.db2.gz INPVGJNATHXOHJ-OAHLLOKOSA-N 2 0 319.453 1.221 10 0 DDAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000263306893 408101703 /nfs/dbraw/zinc/10/17/03/408101703.db2.gz YABQKKDWRGYBBP-BEFAXECRSA-N 2 0 322.412 1.695 10 0 DDAERP C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000246281784 408204386 /nfs/dbraw/zinc/20/43/86/408204386.db2.gz KBJZSKNJDPAOJK-ILXRZTDVSA-N 2 0 310.486 1.841 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000193723433 408738805 /nfs/dbraw/zinc/73/88/05/408738805.db2.gz ADHKINMOWAZGNS-JYJNAYRXSA-N 2 0 310.486 1.890 10 0 DDAERP Cc1cccc(NC[C@H]2CCN(Cc3nc(N(C)C)no3)C2)[nH+]1 ZINC000185264694 408788967 /nfs/dbraw/zinc/78/89/67/408788967.db2.gz NXITXWQKEXVKEQ-CYBMUJFWSA-N 2 0 316.409 1.773 10 0 DDAERP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]([NH3+])C2CCOCC2)([NH+](C)C)C1 ZINC000261780611 287429014 /nfs/dbraw/zinc/42/90/14/287429014.db2.gz MXWFEDBLCRGGQK-UKPHBRMFSA-N 2 0 311.470 1.367 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658238810 424615902 /nfs/dbraw/zinc/61/59/02/424615902.db2.gz IWLNZWHMKBJVEB-CGTJXYLNSA-N 2 0 315.461 1.965 10 0 DDAERP C([C@H]1CCC[NH2+]C1)[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000261825431 275397564 /nfs/dbraw/zinc/39/75/64/275397564.db2.gz ISALXMDLTMUOIK-AWEZNQCLSA-N 2 0 303.454 1.793 10 0 DDAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246684265 280321953 /nfs/dbraw/zinc/32/19/53/280321953.db2.gz HRIROBZTJPMMPP-HOTGVXAUSA-N 2 0 309.454 1.086 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC000400361840 302369565 /nfs/dbraw/zinc/36/95/65/302369565.db2.gz NXHQBPZJHOVQAN-MELADBBJSA-N 2 0 313.442 1.210 10 0 DDAERP C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000571991896 308207473 /nfs/dbraw/zinc/20/74/73/308207473.db2.gz AXQMOEMXMBAKOB-WDSOQIARSA-N 2 0 317.477 1.601 10 0 DDAERP C[NH+](C)C[C@H](O)C[C@@]1(C[NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000310032850 337868193 /nfs/dbraw/zinc/86/81/93/337868193.db2.gz YQLIOGJPEXPIHO-CZUORRHYSA-N 2 0 315.458 1.275 10 0 DDAERP [NH3+][C@@H]1CN(C(=O)C[C@@H]2CCC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000261686197 698433212 /nfs/dbraw/zinc/43/32/12/698433212.db2.gz IQMPLMFMEFNLSF-HYVNUMGLSA-N 2 0 301.434 1.720 10 0 DDAERP C[NH+]1CCN(c2ccc(NC(=O)CC[NH+]3CCCC3)cc2)CC1 ZINC000074693700 185009836 /nfs/dbraw/zinc/00/98/36/185009836.db2.gz ZZPXJWQNTPGJEC-UHFFFAOYSA-N 2 0 316.449 1.863 10 0 DDAERP C[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000181687719 539238110 /nfs/dbraw/zinc/23/81/10/539238110.db2.gz HFJMFFHVWVGOGH-JKSUJKDBSA-N 2 0 323.456 1.644 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000150752129 186063736 /nfs/dbraw/zinc/06/37/36/186063736.db2.gz HFRJRPPCQGIHEQ-IAGOWNOFSA-N 2 0 322.497 1.844 10 0 DDAERP C[NH+](C)CCNC(=O)N1CCC(C[NH3+])(Cc2ccccc2)CC1 ZINC000219254523 354313555 /nfs/dbraw/zinc/31/35/55/354313555.db2.gz ZDILCFXSTPLSKE-UHFFFAOYSA-N 2 0 318.465 1.541 10 0 DDAERP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000262676777 354395975 /nfs/dbraw/zinc/39/59/75/354395975.db2.gz UJWWOHSNBNBAMU-QXSJWSMHSA-N 2 0 311.470 1.510 10 0 DDAERP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000073402180 191312706 /nfs/dbraw/zinc/31/27/06/191312706.db2.gz GYBCQQWXESVMRW-OAHLLOKOSA-N 2 0 316.449 1.719 10 0 DDAERP COc1c(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)nn1C ZINC000237140358 202164595 /nfs/dbraw/zinc/16/45/95/202164595.db2.gz OHBASBSXWDVNCX-ZIAGYGMSSA-N 2 0 324.469 1.716 10 0 DDAERP C[NH2+]Cc1ccccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091428100 193055418 /nfs/dbraw/zinc/05/54/18/193055418.db2.gz BAZBKTRTAMTLGY-CQSZACIVSA-N 2 0 311.451 1.121 10 0 DDAERP C[C@@H](C[C@@H]1CCCC[NH2+]1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000093473027 193257573 /nfs/dbraw/zinc/25/75/73/193257573.db2.gz NVHYXUHTEDOLRZ-JSGCOSHPSA-N 2 0 311.451 1.344 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000094364760 193366269 /nfs/dbraw/zinc/36/62/69/193366269.db2.gz GOXCUKPCZGTTEP-ZIAGYGMSSA-N 2 0 300.468 1.481 10 0 DDAERP CC[C@H]([NH3+])[C@H](c1ccsc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642319 184180495 /nfs/dbraw/zinc/18/04/95/184180495.db2.gz RVQSQQVMOIDKHC-HOTGVXAUSA-N 2 0 310.511 1.706 10 0 DDAERP C[N@H+]1[C@@H]2CC[NH+](CC3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC000248063488 257110750 /nfs/dbraw/zinc/11/07/50/257110750.db2.gz VLWAYAQAKYAQNM-OKZBNKHCSA-N 2 0 318.465 1.704 10 0 DDAERP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)C1(C)C ZINC000249098168 286304861 /nfs/dbraw/zinc/30/48/61/286304861.db2.gz JATJXXYSYVQCRT-CKEIUWERSA-N 2 0 311.470 1.462 10 0 DDAERP C[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000106916861 407367251 /nfs/dbraw/zinc/36/72/51/407367251.db2.gz ZAVQBYZNGJTKTB-PBHICJAKSA-N 2 0 303.450 1.758 10 0 DDAERP [NH3+][C@H](C(=O)NCCCCC[NH+]1CCCCC1)C1CCOCC1 ZINC000261869848 407650912 /nfs/dbraw/zinc/65/09/12/407650912.db2.gz SVKJMSGGFXYYHF-INIZCTEOSA-N 2 0 311.470 1.513 10 0 DDAERP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000262014593 407709936 /nfs/dbraw/zinc/70/99/36/407709936.db2.gz VVIULVNFSFEXFZ-BBWFWOEESA-N 2 0 309.498 1.998 10 0 DDAERP COc1ccc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000262401957 407825942 /nfs/dbraw/zinc/82/59/42/407825942.db2.gz CJFVGEQNHICPRH-JKOKRWQUSA-N 2 0 323.824 1.956 10 0 DDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@@H]12 ZINC000262584413 407874316 /nfs/dbraw/zinc/87/43/16/407874316.db2.gz ZMLUWQPYDGDBPH-LERXQTSPSA-N 2 0 318.808 1.517 10 0 DDAERP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000247531625 408489996 /nfs/dbraw/zinc/48/99/96/408489996.db2.gz ZXPWDTSKHVYNPJ-OAGGEKHMSA-N 2 0 310.486 1.889 10 0 DDAERP CCCCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247392890 408462301 /nfs/dbraw/zinc/46/23/01/408462301.db2.gz XKECUIXLZGHHQQ-GJZGRUSLSA-N 2 0 313.486 1.316 10 0 DDAERP C(CN1CC[NH+]2CCCC[C@@H]2C1)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000248331267 408548355 /nfs/dbraw/zinc/54/83/55/408548355.db2.gz DXPONNDDKZBPJJ-RTBURBONSA-N 2 0 320.525 1.717 10 0 DDAERP CN(C)c1noc(CN2CC[C@H](CNc3ccccn3)C2)n1 ZINC000185264601 408788135 /nfs/dbraw/zinc/78/81/35/408788135.db2.gz RYIBFAMBKKATPO-GFCCVEGCSA-N 2 0 302.382 1.465 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000246434713 163487715 /nfs/dbraw/zinc/48/77/15/163487715.db2.gz NLVBLXWMJCTEOG-ZIAGYGMSSA-N 2 0 322.457 1.295 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658245574 424619440 /nfs/dbraw/zinc/61/94/40/424619440.db2.gz SJDZTTOYUUNZHI-BPQIPLTHSA-N 2 0 315.461 1.965 10 0 DDAERP C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000111606361 278196339 /nfs/dbraw/zinc/19/63/39/278196339.db2.gz RNLHPMVUGUCOSG-YOEHRIQHSA-N 2 0 301.434 1.596 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000185795568 279294608 /nfs/dbraw/zinc/29/46/08/279294608.db2.gz ZRRVYBOYBUMTRY-OAHLLOKOSA-N 2 0 310.486 1.892 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000247914071 289313988 /nfs/dbraw/zinc/31/39/88/289313988.db2.gz ARRWLZPPRKBQTM-IKGGRYGDSA-N 2 0 316.449 1.777 10 0 DDAERP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1C[NH2+]C1 ZINC000262389791 298165276 /nfs/dbraw/zinc/16/52/76/298165276.db2.gz OBZSJZYKBXCZOT-AWEZNQCLSA-N 2 0 301.434 1.754 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000248845967 698381843 /nfs/dbraw/zinc/38/18/43/698381843.db2.gz NDKYQKQEOKZLSS-GOEBONIOSA-N 2 0 324.465 1.497 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000262307999 293117433 /nfs/dbraw/zinc/11/74/33/293117433.db2.gz ORNRCDUYHSIORN-HOCLYGCPSA-N 2 0 319.449 1.740 10 0 DDAERP CC(C)(C)n1cc(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)cn1 ZINC000178983093 539233257 /nfs/dbraw/zinc/23/32/57/539233257.db2.gz OOWXCGSGRANCDX-UHFFFAOYSA-N 2 0 319.497 1.755 10 0 DDAERP CC(C)C[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000088542704 185256278 /nfs/dbraw/zinc/25/62/78/185256278.db2.gz GOWVEUDUZSGTSM-LBPRGKRZSA-N 2 0 317.455 1.254 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000220940525 539265046 /nfs/dbraw/zinc/26/50/46/539265046.db2.gz KUOGODJEKVZAGG-WCQYABFASA-N 2 0 307.360 1.471 10 0 DDAERP C[N@H+](CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000171903938 198004750 /nfs/dbraw/zinc/00/47/50/198004750.db2.gz CJSXCYNDLKOAAR-QGZVFWFLSA-N 2 0 316.449 1.608 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000175607541 354258457 /nfs/dbraw/zinc/25/84/57/354258457.db2.gz ROSCGAHCTDFEJK-HZPDHXFCSA-N 2 0 311.470 1.380 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000156764515 354221828 /nfs/dbraw/zinc/22/18/28/354221828.db2.gz CABWLJXTJFZPSP-JKSUJKDBSA-N 2 0 312.502 1.944 10 0 DDAERP C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)C1 ZINC000091392598 193050024 /nfs/dbraw/zinc/05/00/24/193050024.db2.gz FWTFSGPNINIHPE-HNNXBMFYSA-N 2 0 311.451 1.001 10 0 DDAERP C[C@H](C[C@H]1CCCC[NH2+]1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000093473030 193257114 /nfs/dbraw/zinc/25/71/14/193257114.db2.gz NVHYXUHTEDOLRZ-TZMCWYRMSA-N 2 0 311.451 1.344 10 0 DDAERP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000093523483 193263904 /nfs/dbraw/zinc/26/39/04/193263904.db2.gz PLZHJZHMNQWNPU-HZSPNIEDSA-N 2 0 302.484 1.710 10 0 DDAERP C[NH2+]CCC1CC[NH+]([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094638747 193388154 /nfs/dbraw/zinc/38/81/54/193388154.db2.gz YXPULHJEEBLENO-HUUCEWRRSA-N 2 0 302.484 1.664 10 0 DDAERP CCc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000040508450 183086205 /nfs/dbraw/zinc/08/62/05/183086205.db2.gz MWNWAYCDOPRHGM-HNNXBMFYSA-N 2 0 307.463 1.707 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000041676180 183215487 /nfs/dbraw/zinc/21/54/87/183215487.db2.gz OAUTVKRWETXIQJ-UHFFFAOYSA-N 2 0 313.467 1.249 10 0 DDAERP C[NH2+][C@H](C)c1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000041681721 183215872 /nfs/dbraw/zinc/21/58/72/183215872.db2.gz ONRFUAFUPUFEKG-CYBMUJFWSA-N 2 0 313.467 1.587 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000041681746 183217141 /nfs/dbraw/zinc/21/71/41/183217141.db2.gz GPNQONDKWZLDLM-CYBMUJFWSA-N 2 0 313.467 1.669 10 0 DDAERP Cc1cc2c(ncnc2N2CCC[N@H+](CCC[NH3+])CC2)s1 ZINC000110779027 194358579 /nfs/dbraw/zinc/35/85/79/194358579.db2.gz ZUTOQCHAYQCGNR-UHFFFAOYSA-N 2 0 305.451 1.861 10 0 DDAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000111133369 194394450 /nfs/dbraw/zinc/39/44/50/194394450.db2.gz QGQWSXKCMSKYQE-SNVBAGLBSA-N 2 0 304.232 1.925 10 0 DDAERP C[C@H]([NH3+])c1cccc(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000062070158 184204427 /nfs/dbraw/zinc/20/44/27/184204427.db2.gz MAHWWLSUILTWAT-ZDUSSCGKSA-N 2 0 311.451 1.471 10 0 DDAERP Cc1nn(C)c(C)c1CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178983077 407683455 /nfs/dbraw/zinc/68/34/55/407683455.db2.gz CFIJSUIZMIVNGN-UHFFFAOYSA-N 2 0 305.470 1.154 10 0 DDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2([NH3+])CCCCC2)CC1 ZINC000261963516 407690850 /nfs/dbraw/zinc/69/08/50/407690850.db2.gz ABRDWLSJGGDQCQ-AWEZNQCLSA-N 2 0 311.470 1.199 10 0 DDAERP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000262044772 407722247 /nfs/dbraw/zinc/72/22/47/407722247.db2.gz YYHINDFHIFSCGU-KZNAEPCWSA-N 3 0 309.498 1.854 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262178616 407759007 /nfs/dbraw/zinc/75/90/07/407759007.db2.gz BGISPOZCSDMQDV-KRWDZBQOSA-N 2 0 319.449 1.653 10 0 DDAERP C[C@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1CCO ZINC000187686074 407880517 /nfs/dbraw/zinc/88/05/17/407880517.db2.gz IUEBIYRHGXPBOL-HNNXBMFYSA-N 2 0 309.429 1.256 10 0 DDAERP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2C[NH2+]C2)C1 ZINC000263272858 408084579 /nfs/dbraw/zinc/08/45/79/408084579.db2.gz IHIDTMGUIICKDB-AWEZNQCLSA-N 2 0 301.434 1.754 10 0 DDAERP CC[NH+](CC)[C@@H](CNC(=O)C1C[NH2+]C1)c1cccc(OC)c1 ZINC000263279819 408087038 /nfs/dbraw/zinc/08/70/38/408087038.db2.gz JKZNQIHWTFVRDT-INIZCTEOSA-N 2 0 305.422 1.414 10 0 DDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246026322 408122163 /nfs/dbraw/zinc/12/21/63/408122163.db2.gz RDQDWKRZQOAKBR-HZPDHXFCSA-N 2 0 310.486 1.987 10 0 DDAERP CC[NH+]1CCC(CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000173508229 162343557 /nfs/dbraw/zinc/34/35/57/162343557.db2.gz FNPDKESZVRPFOC-RDJZCZTQSA-N 2 0 322.497 1.987 10 0 DDAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000247505497 408483061 /nfs/dbraw/zinc/48/30/61/408483061.db2.gz VJLOKSKFFDCBMB-WCXIOVBPSA-N 2 0 322.497 1.985 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192639846 408621748 /nfs/dbraw/zinc/62/17/48/408621748.db2.gz OVTVOBZHFAJYGJ-NVXWUHKLSA-N 2 0 305.466 1.946 10 0 DDAERP CCC[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)[NH+](C)C ZINC000162128633 408674041 /nfs/dbraw/zinc/67/40/41/408674041.db2.gz MNKVSIGZLQEKGV-JKSUJKDBSA-N 2 0 312.502 1.107 10 0 DDAERP C[C@H]([NH3+])[C@H]1CN([C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCO1 ZINC000253370629 408814112 /nfs/dbraw/zinc/81/41/12/408814112.db2.gz UBYXGWGQSXDALW-KCITZHQASA-N 2 0 317.477 1.945 10 0 DDAERP Cc1cc(N2CC[NH2+]CC2)nc(N2CCc3ccccc3C2)[nH+]1 ZINC000045947505 274708727 /nfs/dbraw/zinc/70/87/27/274708727.db2.gz XPNPWUKNZOGWIF-UHFFFAOYSA-N 2 0 309.417 1.757 10 0 DDAERP C[C@@H]1C[NH+](Cc2ccccc2CNC2=[NH+]CCCN2)C[C@@H](C)O1 ZINC000261691559 288219097 /nfs/dbraw/zinc/21/90/97/288219097.db2.gz BGIFUCWBJUBKJJ-HUUCEWRRSA-N 2 0 316.449 1.735 10 0 DDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000261845049 303426021 /nfs/dbraw/zinc/42/60/21/303426021.db2.gz VHIVJWPRPNFRST-HZPDHXFCSA-N 2 0 323.481 1.513 10 0 DDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000333295410 303465942 /nfs/dbraw/zinc/46/59/42/303465942.db2.gz PHMUFFTVVAAKAI-IPYPFGDCSA-N 2 0 312.421 1.899 10 0 DDAERP Cc1cnn(C)c1C[NH2+][C@@H]1CCCN(c2cc(C)nc(C)n2)C1 ZINC000367143601 307087157 /nfs/dbraw/zinc/08/71/57/307087157.db2.gz KACZCKSXVNRQSF-OAHLLOKOSA-N 2 0 314.437 1.894 10 0 DDAERP COC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)C1 ZINC000246338818 698348271 /nfs/dbraw/zinc/34/82/71/698348271.db2.gz LCLGSKSTSACMOP-NVXWUHKLSA-N 2 0 320.437 1.498 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1CC([NH3+])C1 ZINC000708588233 699250314 /nfs/dbraw/zinc/25/03/14/699250314.db2.gz AULHDUYJTYVXEO-AKBUMOGYSA-N 2 0 301.434 1.608 10 0 DDAERP Cc1n[nH]cc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886044639 708688055 /nfs/dbraw/zinc/68/80/55/708688055.db2.gz DYXWTVHHLIYQEF-KRWDZBQOSA-N 2 0 315.421 1.828 10 0 DDAERP CCOCCOC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164514 185240869 /nfs/dbraw/zinc/24/08/69/185240869.db2.gz YGGRAHRDIDLZAI-UYTSQGDYSA-N 2 0 300.443 1.005 10 0 DDAERP C[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248587794 539272242 /nfs/dbraw/zinc/27/22/42/539272242.db2.gz QNSYGXZIELEXPT-ZMSDIMECSA-N 2 0 323.481 1.212 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000092626702 185329602 /nfs/dbraw/zinc/32/96/02/185329602.db2.gz CCANWTJPIBLHBL-CQSZACIVSA-N 2 0 311.451 1.250 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000092634025 185330177 /nfs/dbraw/zinc/33/01/77/185330177.db2.gz FSPFKFZVMZBZEP-NSHDSACASA-N 2 0 317.480 1.312 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1ccccc1Br ZINC000093374855 193240550 /nfs/dbraw/zinc/24/05/50/193240550.db2.gz YHGSJEBZPAVGRR-GFCCVEGCSA-N 2 0 311.227 1.682 10 0 DDAERP CS(=O)(=O)N1CCC[C@H](C[N@H+](CCC[NH3+])C2CCCC2)C1 ZINC000093695949 193291468 /nfs/dbraw/zinc/29/14/68/193291468.db2.gz HOXLFKSISKONBA-CQSZACIVSA-N 2 0 317.499 1.251 10 0 DDAERP CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000042768512 183307091 /nfs/dbraw/zinc/30/70/91/183307091.db2.gz BWQXAEICRPMHQS-UHFFFAOYSA-N 2 0 313.467 1.354 10 0 DDAERP CC(C)[C@H](C)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862311 194150602 /nfs/dbraw/zinc/15/06/02/194150602.db2.gz AUNBRDCGIUKTKT-CABCVRRESA-N 2 0 313.486 1.172 10 0 DDAERP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000063054570 184268907 /nfs/dbraw/zinc/26/89/07/184268907.db2.gz AKYFPSPZRSNJDK-CYBMUJFWSA-N 2 0 311.451 1.423 10 0 DDAERP Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CCC[C@H](C[NH+]3CCOCC3)[C@@H]2C1 ZINC000247998773 257111498 /nfs/dbraw/zinc/11/14/98/257111498.db2.gz BEUWYYKJKWXXRK-IKGGRYGDSA-N 2 0 318.465 1.898 10 0 DDAERP C[NH+](C)CCN1C(=O)CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC000248013385 257111885 /nfs/dbraw/zinc/11/18/85/257111885.db2.gz PVJJMOGAERWUJT-JKSUJKDBSA-N 2 0 302.422 1.209 10 0 DDAERP Cc1cc(CN2C[C@@H]3OC[C@H](C[NH+]4CCCC4)[C@@H]3C2)n(C)n1 ZINC000503717851 257208526 /nfs/dbraw/zinc/20/85/26/257208526.db2.gz CJYMHFNECKSPEJ-XIRDDKMYSA-N 2 0 304.438 1.271 10 0 DDAERP [NH3+]CC1(C(=O)N2CCC([NH+]3CCCCC3)CC2)CCOCC1 ZINC000261928795 407674903 /nfs/dbraw/zinc/67/49/03/407674903.db2.gz JCRFYTLMWKYLQX-UHFFFAOYSA-N 2 0 309.454 1.219 10 0 DDAERP CCc1noc([C@@H](C)N2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000178980788 407680249 /nfs/dbraw/zinc/68/02/49/407680249.db2.gz LQFUURPUDUTRNC-CYBMUJFWSA-N 2 0 307.442 1.310 10 0 DDAERP [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)C[C@@H]12 ZINC000262566274 407869081 /nfs/dbraw/zinc/86/90/81/407869081.db2.gz WRTPLEZZHWVRLB-MZBWOGCUSA-N 2 0 305.466 1.837 10 0 DDAERP C[NH+](C)CCCCCCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171904789 162246433 /nfs/dbraw/zinc/24/64/33/162246433.db2.gz PITXJNFJJXLDTP-MRXNPFEDSA-N 2 0 310.486 1.988 10 0 DDAERP Cc1cc(=O)[nH]c([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000192575805 408614730 /nfs/dbraw/zinc/61/47/30/408614730.db2.gz QXMGBDOGJBGHTG-ZIAGYGMSSA-N 2 0 322.453 1.576 10 0 DDAERP Cc1c[nH+]ccc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000192568665 163228238 /nfs/dbraw/zinc/22/82/38/163228238.db2.gz QNPKZWQTPQODSX-KRWDZBQOSA-N 2 0 318.465 1.621 10 0 DDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000379454601 418727174 /nfs/dbraw/zinc/72/71/74/418727174.db2.gz MMZNYQBWLLPRJW-DLBZAZTESA-N 2 0 303.450 1.952 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000130780207 281394140 /nfs/dbraw/zinc/39/41/40/281394140.db2.gz AMLDLGOPODYCMN-HOTGVXAUSA-N 2 0 310.486 1.700 10 0 DDAERP C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)[C@H](C[NH3+])C1 ZINC000333937760 290542762 /nfs/dbraw/zinc/54/27/62/290542762.db2.gz LWQGQRPILXDSSG-BBRMVZONSA-N 2 0 308.470 1.630 10 0 DDAERP C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CC[NH2+]C1 ZINC000400730851 302370200 /nfs/dbraw/zinc/37/02/00/302370200.db2.gz IVNVRQWRVRPDDK-MNOVXSKESA-N 2 0 301.232 1.623 10 0 DDAERP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000398073092 337304230 /nfs/dbraw/zinc/30/42/30/337304230.db2.gz PSLSKJMIOKCJRU-QGPMSJSTSA-N 2 0 301.434 1.908 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)COC1(C)C[NH2+]C1 ZINC000381072640 490777700 /nfs/dbraw/zinc/77/77/00/490777700.db2.gz PUKWHMJHJCDQNE-CQSZACIVSA-N 2 0 305.422 1.002 10 0 DDAERP Cc1cc(N)nc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000893335799 710604172 /nfs/dbraw/zinc/60/41/72/710604172.db2.gz WDXWXWBRFSJHKQ-HNNXBMFYSA-N 2 0 312.421 1.721 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176010991 282196888 /nfs/dbraw/zinc/19/68/88/282196888.db2.gz WUNAQKIQLRCZHC-MRXNPFEDSA-N 2 0 308.470 1.739 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](CC)CC)o1 ZINC000088543092 185256493 /nfs/dbraw/zinc/25/64/93/185256493.db2.gz WIPYGQLDHIVXLJ-LBPRGKRZSA-N 2 0 317.455 1.398 10 0 DDAERP COCCC[N@H+](CCOC)[C@@H]1CC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093856805 193319422 /nfs/dbraw/zinc/31/94/22/193319422.db2.gz FWZDMKFJVULWTD-HZPDHXFCSA-N 2 0 300.443 1.007 10 0 DDAERP CCC[NH2+][C@@]1(CO)CC[C@@H]([N@H+](CCCOC)CCOC)C1 ZINC000093856798 193319554 /nfs/dbraw/zinc/31/95/54/193319554.db2.gz NIXIMAFDYVPAJQ-CVEARBPZSA-N 2 0 302.459 1.255 10 0 DDAERP C[NH+](C)CC1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000336674620 249230068 /nfs/dbraw/zinc/23/00/68/249230068.db2.gz KLNXKRMBQDCJCW-GOSISDBHSA-N 2 0 306.450 1.838 10 0 DDAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000111133188 194394598 /nfs/dbraw/zinc/39/45/98/194394598.db2.gz OUKKEDKLZPCLMX-CYBMUJFWSA-N 2 0 313.829 1.952 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061653251 184181121 /nfs/dbraw/zinc/18/11/21/184181121.db2.gz JADDPGIQOSNIHR-CQSZACIVSA-N 2 0 311.451 1.121 10 0 DDAERP C[NH+](C)CCN1C(=O)C[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(F)c1 ZINC000248042075 257110533 /nfs/dbraw/zinc/11/05/33/257110533.db2.gz VSTMBKDPOQSBCS-CVEARBPZSA-N 2 0 305.397 1.563 10 0 DDAERP COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccccc3F)C[C@H]2C1 ZINC000503718360 257208920 /nfs/dbraw/zinc/20/89/20/257208920.db2.gz RZIWOBNTOHIAOJ-NVXWUHKLSA-N 2 0 308.397 1.605 10 0 DDAERP Cc1noc([C@@]23C[N@H+](CC(C)C)C[C@@H]2CCN(CCCO)C3)n1 ZINC000257193544 407486618 /nfs/dbraw/zinc/48/66/18/407486618.db2.gz YSTGRFVVGWJNGT-RDJZCZTQSA-N 2 0 322.453 1.292 10 0 DDAERP [NH3+]C1(c2noc(-c3ccn([C@H]4CCC[NH2+]C4)n3)n2)CCCC1 ZINC000261897802 407659406 /nfs/dbraw/zinc/65/94/06/407659406.db2.gz YFUZZOKGSCISPY-NSHDSACASA-N 2 0 302.382 1.586 10 0 DDAERP COC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000262287243 407784648 /nfs/dbraw/zinc/78/46/48/407784648.db2.gz MMSQYMZHTHJVHZ-JKSUJKDBSA-N 2 0 305.422 1.222 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262310106 407794690 /nfs/dbraw/zinc/79/46/90/407794690.db2.gz OYZCTIPEWGYHOI-YOEHRIQHSA-N 2 0 319.449 1.508 10 0 DDAERP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])COC ZINC000262326852 407799195 /nfs/dbraw/zinc/79/91/95/407799195.db2.gz GFFACSGGRLSJLM-INIZCTEOSA-N 2 0 307.438 1.331 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246382295 408239168 /nfs/dbraw/zinc/23/91/68/408239168.db2.gz ZQMQPTYKNWMGAX-OTBWCIGPSA-N 2 0 322.497 1.985 10 0 DDAERP CO[C@@H](C)c1noc(CN2CCC[C@H]2Cn2ccnc2C)n1 ZINC000246941411 408373180 /nfs/dbraw/zinc/37/31/80/408373180.db2.gz HOWDCESLMNETCS-AAEUAGOBSA-N 2 0 305.382 1.947 10 0 DDAERP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000247219814 408430934 /nfs/dbraw/zinc/43/09/34/408430934.db2.gz YJEWLLNJUANVBF-OAGGEKHMSA-N 2 0 308.470 1.739 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185170011 408772887 /nfs/dbraw/zinc/77/28/87/408772887.db2.gz VXMAFISELFZEFV-HZPDHXFCSA-N 2 0 322.497 1.987 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC[C@H](O)C[NH+](C)C1CC1 ZINC000381845422 418729840 /nfs/dbraw/zinc/72/98/40/418729840.db2.gz AKCGUQAMASWLBF-YJBOKZPZSA-N 2 0 305.466 1.552 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000638837278 423151737 /nfs/dbraw/zinc/15/17/37/423151737.db2.gz YRXIXPQQPHZHIQ-UBDQQSCGSA-N 2 0 315.461 1.998 10 0 DDAERP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC2CC[NH2+]CC2)C1 ZINC000665285167 424774210 /nfs/dbraw/zinc/77/42/10/424774210.db2.gz FOOBDNPSRZSQRB-GOSISDBHSA-N 2 0 302.466 1.144 10 0 DDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246376091 278252627 /nfs/dbraw/zinc/25/26/27/278252627.db2.gz GYNQMKWACYYZLS-HOTGVXAUSA-N 2 0 308.470 1.741 10 0 DDAERP C[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000095088841 278303375 /nfs/dbraw/zinc/30/33/75/278303375.db2.gz MDSNKDRLGSQWFF-OAHLLOKOSA-N 2 0 301.434 1.848 10 0 DDAERP CC[N@H+](C)[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000246862028 279044442 /nfs/dbraw/zinc/04/44/42/279044442.db2.gz DYXITTRSCWGIEQ-IRXDYDNUSA-N 2 0 319.449 1.468 10 0 DDAERP O=C(NC1CC1)c1noc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000262021990 501050656 /nfs/dbraw/zinc/05/06/56/501050656.db2.gz WFWNFFPMSGCXDH-ZDUSSCGKSA-N 2 0 319.409 1.098 10 0 DDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000262333125 698464977 /nfs/dbraw/zinc/46/49/77/698464977.db2.gz YPZNBKFNSWJBPZ-CVEARBPZSA-N 2 0 309.454 1.075 10 0 DDAERP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000183233665 539241395 /nfs/dbraw/zinc/24/13/95/539241395.db2.gz YTMHMIKHYGAUIX-GEEKYZPCSA-N 2 0 300.443 1.317 10 0 DDAERP CNS(=O)(=O)c1ccc(C[NH2+]CCCC[N@H+](C)C(C)C)o1 ZINC000088540599 185255815 /nfs/dbraw/zinc/25/58/15/185255815.db2.gz QTBWXDHNLXCSCK-UHFFFAOYSA-N 2 0 317.455 1.398 10 0 DDAERP CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(C[NH3+])o1 ZINC000088542034 185256223 /nfs/dbraw/zinc/25/62/23/185256223.db2.gz HFZKJBFBFNQZPK-GFCCVEGCSA-N 2 0 317.455 1.527 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000180492919 199166436 /nfs/dbraw/zinc/16/64/36/199166436.db2.gz PATBRZLYHYBMES-MAUKXSAKSA-N 2 0 321.465 1.608 10 0 DDAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000237398397 202254277 /nfs/dbraw/zinc/25/42/77/202254277.db2.gz JTPAVKWAUVILBN-PBHICJAKSA-N 2 0 317.433 1.398 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000093375030 193240406 /nfs/dbraw/zinc/24/04/06/193240406.db2.gz QFGBAHJJQKFCRY-GFCCVEGCSA-N 2 0 300.328 1.938 10 0 DDAERP C[NH2+][C@H](C)C1CC[NH+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634001 193385597 /nfs/dbraw/zinc/38/55/97/193385597.db2.gz QZZKYAIUQLHYPC-YUELXQCFSA-N 2 0 302.484 1.662 10 0 DDAERP CS(=O)(=O)[C@H]1CCC[C@H]([NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000094638901 193388403 /nfs/dbraw/zinc/38/84/03/193388403.db2.gz OIMKPBRIWSONLG-ZFWWWQNUSA-N 2 0 318.483 1.172 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000094364763 193365980 /nfs/dbraw/zinc/36/59/80/193365980.db2.gz GOXCUKPCZGTTEP-KBPBESRZSA-N 2 0 300.468 1.481 10 0 DDAERP CC[N@@H+]1CCN(c2ncc(Br)cc2C[NH3+])C[C@@H]1C ZINC000110749692 194357247 /nfs/dbraw/zinc/35/72/47/194357247.db2.gz ZRKXAQKNXRRVLX-JTQLQIEISA-N 2 0 313.243 1.833 10 0 DDAERP CC[C@H]([NH3+])[C@@H](c1ccsc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642317 184180072 /nfs/dbraw/zinc/18/00/72/184180072.db2.gz RVQSQQVMOIDKHC-JKSUJKDBSA-N 2 0 310.511 1.706 10 0 DDAERP C[NH+](C)CCN1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000061642397 184180238 /nfs/dbraw/zinc/18/02/38/184180238.db2.gz KGHJAENPGTXDGQ-INIZCTEOSA-N 2 0 310.873 1.519 10 0 DDAERP C[C@H](CNS(=O)(=O)c1cccc(C[NH3+])c1)C[NH+]1CCCC1 ZINC000062074046 184204418 /nfs/dbraw/zinc/20/44/18/184204418.db2.gz VTNOCHYWUJQPFH-CYBMUJFWSA-N 2 0 311.451 1.156 10 0 DDAERP CC1CC[NH+](CCCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113583456 407516408 /nfs/dbraw/zinc/51/64/08/407516408.db2.gz MXRDMKKCKFJSLR-IRXDYDNUSA-N 2 0 322.497 1.987 10 0 DDAERP COc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261888028 407658022 /nfs/dbraw/zinc/65/80/22/407658022.db2.gz GCXKUSPRGNHYJE-BBWFWOEESA-N 2 0 304.434 1.984 10 0 DDAERP C[NH+](C)Cc1cc(CNC(=O)C2([NH3+])CCOCC2)ccc1F ZINC000261923930 407675285 /nfs/dbraw/zinc/67/52/85/407675285.db2.gz VJGBFMFKKDTPHQ-UHFFFAOYSA-N 2 0 309.385 1.011 10 0 DDAERP Cc1ccc(N(C)C2CC[NH+](CC3CC[NH2+]CC3)CC2)nn1 ZINC000262148090 407753908 /nfs/dbraw/zinc/75/39/08/407753908.db2.gz FQQSWZCGJUHSLN-UHFFFAOYSA-N 2 0 303.454 1.685 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000262216221 407765886 /nfs/dbraw/zinc/76/58/86/407765886.db2.gz FHBCBVMWOFIXRL-LBPRGKRZSA-N 2 0 315.801 1.193 10 0 DDAERP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263206539 408056636 /nfs/dbraw/zinc/05/66/36/408056636.db2.gz JTWPETGEIRFHKM-SCDSUCTJSA-N 2 0 302.340 1.806 10 0 DDAERP CCC[N@H+](CC)CCNC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000175761291 408198671 /nfs/dbraw/zinc/19/86/71/408198671.db2.gz SOZGXCGLAQSZKJ-OAHLLOKOSA-N 2 0 314.474 1.080 10 0 DDAERP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+](CC)C2)[C@@H](C)C1 ZINC000246517043 408280103 /nfs/dbraw/zinc/28/01/03/408280103.db2.gz UOQDLGQPPFPGPU-JYJNAYRXSA-N 2 0 310.486 1.842 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1CC ZINC000168079242 162178651 /nfs/dbraw/zinc/17/86/51/162178651.db2.gz KTXQGFSGZGEKFD-OWCLPIDISA-N 2 0 311.470 1.463 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000171654724 279318369 /nfs/dbraw/zinc/31/83/69/279318369.db2.gz BBNGRQUMHHURPM-JKSUJKDBSA-N 2 0 308.470 1.741 10 0 DDAERP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000186724942 289366654 /nfs/dbraw/zinc/36/66/54/289366654.db2.gz YHLUCKOZEWJTFG-QGZVFWFLSA-N 2 0 303.450 1.712 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000400454081 302369993 /nfs/dbraw/zinc/36/99/93/302369993.db2.gz RWTQRTYRWKTWGH-SZMVWBNQSA-N 2 0 303.450 1.475 10 0 DDAERP C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422973368 533892299 /nfs/dbraw/zinc/89/22/99/533892299.db2.gz BVQVXXDVTKRSHO-JQHSSLGASA-N 2 0 303.450 1.211 10 0 DDAERP O=C(N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000186572005 697535303 /nfs/dbraw/zinc/53/53/03/697535303.db2.gz LOMPKWSVUGEGJC-WBVHZDCISA-N 2 0 320.412 1.254 10 0 DDAERP Cc1n[nH]cc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886044640 708688095 /nfs/dbraw/zinc/68/80/95/708688095.db2.gz DYXWTVHHLIYQEF-QGZVFWFLSA-N 2 0 315.421 1.828 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000079267798 185162705 /nfs/dbraw/zinc/16/27/05/185162705.db2.gz KMLMSMWXQINSHO-INIZCTEOSA-N 2 0 312.502 1.994 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cs1 ZINC000092679264 185333416 /nfs/dbraw/zinc/33/34/16/185333416.db2.gz PUNIYBZTFKFWOX-NSHDSACASA-N 2 0 317.480 1.182 10 0 DDAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000193376204 201040312 /nfs/dbraw/zinc/04/03/12/201040312.db2.gz UFQQIVKOMZPXNB-HZPDHXFCSA-N 2 0 307.438 1.993 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1ccccc1C(F)(F)F ZINC000093374785 193240835 /nfs/dbraw/zinc/24/08/35/193240835.db2.gz DCMNVQXVDVDKCG-GFCCVEGCSA-N 2 0 300.328 1.938 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1ccc(Br)cc1 ZINC000093374946 193240459 /nfs/dbraw/zinc/24/04/59/193240459.db2.gz YHVIGOWPPWCERR-GFCCVEGCSA-N 2 0 311.227 1.682 10 0 DDAERP C[C@H](C[NH3+])N1CC[NH+]([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094364653 193366216 /nfs/dbraw/zinc/36/62/16/193366216.db2.gz AXGVNTXGSAYJHS-HUUCEWRRSA-N 2 0 313.511 1.396 10 0 DDAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccccc2OC(F)(F)F)CC1 ZINC000021515627 182277169 /nfs/dbraw/zinc/27/71/69/182277169.db2.gz SYQLTJKUJAZJBS-LBPRGKRZSA-N 2 0 303.328 1.832 10 0 DDAERP O=C(NCC[NH+]1CCCCC1)c1c[nH]nc1C1CC[NH2+]CC1 ZINC000021873864 182295567 /nfs/dbraw/zinc/29/55/67/182295567.db2.gz JMPZICIFXGFNRW-UHFFFAOYSA-N 2 0 305.426 1.092 10 0 DDAERP C[NH+](C)CC1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)CC1 ZINC000042396494 183263217 /nfs/dbraw/zinc/26/32/17/183263217.db2.gz CQIRZRNVFDTHDE-UHFFFAOYSA-N 2 0 311.451 1.108 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000105174439 194081930 /nfs/dbraw/zinc/08/19/30/194081930.db2.gz PGMXSACJUJADNQ-JKSUJKDBSA-N 2 0 310.486 1.890 10 0 DDAERP C[N@H+](CCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1)C1CCCC1 ZINC000105293077 194093938 /nfs/dbraw/zinc/09/39/38/194093938.db2.gz PRJTXFISJOEIIQ-MRXNPFEDSA-N 2 0 308.470 1.741 10 0 DDAERP CCN[C@@](C)(CCC[N@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145822 194395851 /nfs/dbraw/zinc/39/58/51/194395851.db2.gz QUGNQKMSNLCCRA-INIZCTEOSA-N 2 0 301.475 1.581 10 0 DDAERP CN(Cc1cccc(Br)c1)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990421 184199829 /nfs/dbraw/zinc/19/98/29/184199829.db2.gz KCXRVQBMVHYHRP-CQSZACIVSA-N 2 0 312.255 1.914 10 0 DDAERP [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)N3CCc4sccc4C3)C[C@@H]12 ZINC000261714785 407590037 /nfs/dbraw/zinc/59/00/37/407590037.db2.gz PNBDQXUFXSRPHR-MRVWCRGKSA-N 2 0 305.447 1.302 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000113586145 407516493 /nfs/dbraw/zinc/51/64/93/407516493.db2.gz ZYWUQOQPSLPDCQ-XJKSGUPXSA-N 2 0 306.454 1.491 10 0 DDAERP C[N@H+](CCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[NH2+]CC1 ZINC000261983532 407703003 /nfs/dbraw/zinc/70/30/03/407703003.db2.gz ASHMGWNEMXPQNS-ZDUSSCGKSA-N 2 0 301.390 1.357 10 0 DDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000262043614 407723575 /nfs/dbraw/zinc/72/35/75/407723575.db2.gz YWIGFNRCTKLLLF-KURKYZTESA-N 2 0 309.498 1.855 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246353061 408229302 /nfs/dbraw/zinc/22/93/02/408229302.db2.gz GGMHJRSWHMUOHT-KFWWJZLASA-N 2 0 310.486 1.887 10 0 DDAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246977157 408379588 /nfs/dbraw/zinc/37/95/88/408379588.db2.gz QXHNSKJUIAMLCO-ROUUACIJSA-N 2 0 317.477 1.960 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C(N)=O)c2ccccc2)CC1 ZINC000247057045 408398101 /nfs/dbraw/zinc/39/81/01/408398101.db2.gz FQARZZRFLWBRHC-WMLDXEAASA-N 2 0 319.449 1.238 10 0 DDAERP CCc1cc(=O)[nH]c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000176864393 408462925 /nfs/dbraw/zinc/46/29/25/408462925.db2.gz ZFTPUFHWIJHWGM-ZDUSSCGKSA-N 2 0 322.453 1.269 10 0 DDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309571644 418589876 /nfs/dbraw/zinc/58/98/76/418589876.db2.gz GPYHHOLXVJQWBS-BBWFWOEESA-N 2 0 301.434 1.752 10 0 DDAERP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])COC)c1cccc(OC)c1 ZINC000263248592 279164303 /nfs/dbraw/zinc/16/43/03/279164303.db2.gz NXQDASXJDGUVTA-HZPDHXFCSA-N 2 0 323.437 1.168 10 0 DDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261879943 698442993 /nfs/dbraw/zinc/44/29/93/698442993.db2.gz FGKSFPHSEMZPJN-OKZBNKHCSA-N 2 0 307.482 1.608 10 0 DDAERP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000092626654 185329891 /nfs/dbraw/zinc/32/98/91/185329891.db2.gz CHPGBUOPSADLDA-HNNXBMFYSA-N 2 0 311.451 1.001 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000092632508 185330143 /nfs/dbraw/zinc/33/01/43/185330143.db2.gz CUCASYJEYIVZHM-LSDHHAIUSA-N 2 0 317.499 1.265 10 0 DDAERP CC(C)(C)OC(=O)Nc1ccccc1[C@H]1C[NH2+]CCN1CC[NH3+] ZINC000616637183 362764180 /nfs/dbraw/zinc/76/41/80/362764180.db2.gz RWFOHUIQPTZAFD-OAHLLOKOSA-N 2 0 320.437 1.939 10 0 DDAERP CC(C)(C)OC(=O)Nc1cccc([C@H]2C[NH2+]CCN2CC[NH3+])c1 ZINC000616636090 362765153 /nfs/dbraw/zinc/76/51/53/362765153.db2.gz KBBLUEAKMXYGRS-OAHLLOKOSA-N 2 0 320.437 1.939 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cs1 ZINC000088969243 192671916 /nfs/dbraw/zinc/67/19/16/192671916.db2.gz GNXWSEJGUFLEAE-UHFFFAOYSA-N 2 0 317.480 1.182 10 0 DDAERP CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596087 193270859 /nfs/dbraw/zinc/27/08/59/193270859.db2.gz ANCZVOKSAATGEQ-WCQYABFASA-N 2 0 309.376 1.894 10 0 DDAERP CC[NH2+][C@]1(CO)CCC[C@@H]([N@H+](CCCOC)CCOC)C1 ZINC000093783169 193307407 /nfs/dbraw/zinc/30/74/07/193307407.db2.gz HYOMQLGUQQIIGD-HZPDHXFCSA-N 2 0 302.459 1.255 10 0 DDAERP CC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638886 193387584 /nfs/dbraw/zinc/38/75/84/193387584.db2.gz LFANHBJIPNMWQL-CABCVRRESA-N 2 0 302.484 1.664 10 0 DDAERP C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000333750461 249092444 /nfs/dbraw/zinc/09/24/44/249092444.db2.gz YXHJWWXGCNNHEV-PQEBFOHHSA-N 2 0 316.449 1.511 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000041681744 183216859 /nfs/dbraw/zinc/21/68/59/183216859.db2.gz VPMVIJCOLKHHRC-OLZOCXBDSA-N 2 0 313.467 1.715 10 0 DDAERP Cc1cc(=O)n2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)sc2n1 ZINC000110649547 194346107 /nfs/dbraw/zinc/34/61/07/194346107.db2.gz FQZGNZAPLVWTKS-JTQLQIEISA-N 2 0 307.423 1.019 10 0 DDAERP CCCN[C@](C)(CCC[N@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145830 194395902 /nfs/dbraw/zinc/39/59/02/194395902.db2.gz RIGKLQDHBYGHNU-MRXNPFEDSA-N 2 0 301.475 1.581 10 0 DDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@H](c2cccs2)C2CC2)C1 ZINC000063178196 184276779 /nfs/dbraw/zinc/27/67/79/184276779.db2.gz CSETUJKPZPGIPW-ZFWWWQNUSA-N 2 0 307.463 1.986 10 0 DDAERP C[NH+](C)C[C@@H]1OC[C@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)C[C@@H]12 ZINC000248034719 257110394 /nfs/dbraw/zinc/11/03/94/257110394.db2.gz ULMDRVFBUQNFHV-RKVPGOIHSA-N 2 0 318.417 1.814 10 0 DDAERP C[NH+](C)C[C@@H]1CCN(C/C=C\CN2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000255766823 407475392 /nfs/dbraw/zinc/47/53/92/407475392.db2.gz DHEFQRREMAUHFQ-SLXDBMQSSA-N 2 0 308.514 1.310 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113579201 407515514 /nfs/dbraw/zinc/51/55/14/407515514.db2.gz UDMAVDQDCZVINH-GOEBONIOSA-N 2 0 308.470 1.737 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000170832460 407520930 /nfs/dbraw/zinc/52/09/30/407520930.db2.gz QKEWURBKNRSIHM-CVEARBPZSA-N 2 0 322.428 1.774 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000132535467 407792577 /nfs/dbraw/zinc/79/25/77/407792577.db2.gz NGSVKPKYOROZMK-WCVJEAGWSA-N 2 0 310.486 1.887 10 0 DDAERP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]([NH3+])COC ZINC000262547962 407862221 /nfs/dbraw/zinc/86/22/21/407862221.db2.gz OGBPRVQURWIHQZ-ZDUSSCGKSA-N 2 0 309.410 1.319 10 0 DDAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@H]12 ZINC000262584407 407874489 /nfs/dbraw/zinc/87/44/89/407874489.db2.gz ZMLUWQPYDGDBPH-DDTOSNHZSA-N 2 0 318.808 1.517 10 0 DDAERP CN1CC[NH2+]C[C@H]1c1noc(-c2sccc2C[NH+](C)C)n1 ZINC000263184930 408050045 /nfs/dbraw/zinc/05/00/45/408050045.db2.gz HEKUUVMLQPWZCN-NSHDSACASA-N 2 0 307.423 1.436 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000246465540 408262772 /nfs/dbraw/zinc/26/27/72/408262772.db2.gz PXWIMTQLIUTLQW-SJORKVTESA-N 2 0 322.497 1.987 10 0 DDAERP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000176018583 408265873 /nfs/dbraw/zinc/26/58/73/408265873.db2.gz GAGOVEPMHITATF-QGZVFWFLSA-N 2 0 320.481 1.883 10 0 DDAERP CCc1cc(=O)[nH]c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000176864373 408460289 /nfs/dbraw/zinc/46/02/89/408460289.db2.gz ZFTPUFHWIJHWGM-CYBMUJFWSA-N 2 0 322.453 1.269 10 0 DDAERP CCc1ccc([C@@H](CNC(=O)C2([NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000261678273 163683298 /nfs/dbraw/zinc/68/32/98/163683298.db2.gz CIKSTLGXPYHASJ-MRXNPFEDSA-N 2 0 319.449 1.476 10 0 DDAERP Cn1nccc1[C@H]1[C@H](CNC2=[NH+]CCCN2)CCC[N@@H+]1C1CC1 ZINC000262158264 163778451 /nfs/dbraw/zinc/77/84/51/163778451.db2.gz SESNBIOQDINILC-XJKSGUPXSA-N 2 0 316.453 1.275 10 0 DDAERP CC(C)S(=O)(=O)CCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343490 420223526 /nfs/dbraw/zinc/22/35/26/420223526.db2.gz ZLEMEVBUBDLZBU-HNNXBMFYSA-N 2 0 302.484 1.664 10 0 DDAERP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1C[NH2+]C1 ZINC000262389793 274200467 /nfs/dbraw/zinc/20/04/67/274200467.db2.gz OBZSJZYKBXCZOT-CQSZACIVSA-N 2 0 301.434 1.754 10 0 DDAERP C[C@@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CC[NH2+]C1 ZINC000400730848 302370445 /nfs/dbraw/zinc/37/04/45/302370445.db2.gz IVNVRQWRVRPDDK-GHMZBOCLSA-N 2 0 301.232 1.623 10 0 DDAERP Cn1ccnc1C[N@H+](CC[C@@H]1CCOC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261811357 698438769 /nfs/dbraw/zinc/43/87/69/698438769.db2.gz HRUWVWIIDUEQBT-HZPDHXFCSA-N 2 0 318.465 1.791 10 0 DDAERP CCc1nn(C)cc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000180094348 539235198 /nfs/dbraw/zinc/23/51/98/539235198.db2.gz RIMUTIOWNMJNLU-AWEZNQCLSA-N 2 0 308.470 1.507 10 0 DDAERP CN1CCc2nc(NC(=O)c3cccc(C[NH3+])c3)sc2C1 ZINC000113535407 353977609 /nfs/dbraw/zinc/97/76/09/353977609.db2.gz KCKKJVXUNQPAPS-UHFFFAOYSA-N 2 0 302.403 1.842 10 0 DDAERP C[NH+](C)[C@@H]1CCCN(c2ncc(Br)cc2C[NH3+])C1 ZINC000091431368 193054975 /nfs/dbraw/zinc/05/49/75/193054975.db2.gz MOCONCLYHMBDDD-GFCCVEGCSA-N 2 0 313.243 1.833 10 0 DDAERP Cc1c(C[NH3+])cccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091432129 193055172 /nfs/dbraw/zinc/05/51/72/193055172.db2.gz SUEABAOQVRHCOD-CQSZACIVSA-N 2 0 311.451 1.168 10 0 DDAERP CSC1(C[NH3+])CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000091474153 193061250 /nfs/dbraw/zinc/06/12/50/193061250.db2.gz KYQKLNCEZKHKOI-UHFFFAOYSA-N 2 0 313.511 1.982 10 0 DDAERP NC1=[NH+]CC2(CC[NH2+]CC2)N1c1ccccc1Br ZINC000093382658 193240828 /nfs/dbraw/zinc/24/08/28/193240828.db2.gz UJBMZVBNYIJHFH-UHFFFAOYSA-N 2 0 309.211 1.706 10 0 DDAERP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)NS(C)(=O)=O ZINC000093472365 193256908 /nfs/dbraw/zinc/25/69/08/193256908.db2.gz POKSRKRMHNSBMA-HZSPNIEDSA-N 2 0 317.499 1.215 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000041681748 183216960 /nfs/dbraw/zinc/21/69/60/183216960.db2.gz OUVOSOHJMHUVSR-CYBMUJFWSA-N 2 0 313.467 1.669 10 0 DDAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000111133184 194394248 /nfs/dbraw/zinc/39/42/48/194394248.db2.gz OUKKEDKLZPCLMX-ZDUSSCGKSA-N 2 0 313.829 1.952 10 0 DDAERP CCC[NH2+][C@](C)(CCCC[N@H+](CC)CCOCC)C(N)=O ZINC000111122201 194393005 /nfs/dbraw/zinc/39/30/05/194393005.db2.gz JYVDOXWLOTWUMT-MRXNPFEDSA-N 2 0 301.475 1.759 10 0 DDAERP C[C@H]([NH3+])c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061652885 184181037 /nfs/dbraw/zinc/18/10/37/184181037.db2.gz ZSFRGNNEMDLFMQ-GXTWGEPZSA-N 2 0 311.451 1.421 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000246538481 285266483 /nfs/dbraw/zinc/26/64/83/285266483.db2.gz APQUQLBTFXHBSW-JYJNAYRXSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638300086 422812464 /nfs/dbraw/zinc/81/24/64/422812464.db2.gz DWANXQPWLITJHA-RHSMWYFYSA-N 2 0 305.422 1.002 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C1CCCCC1 ZINC000170829613 407520486 /nfs/dbraw/zinc/52/04/86/407520486.db2.gz WCNPQWLFMHZVMC-CVEARBPZSA-N 2 0 310.486 1.842 10 0 DDAERP C[C@@H](NC(=O)NCC[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000133786443 407871241 /nfs/dbraw/zinc/87/12/41/407871241.db2.gz REHWRDNSEIROOY-CYBMUJFWSA-N 2 0 301.394 1.794 10 0 DDAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1(C)C ZINC000262581359 407874775 /nfs/dbraw/zinc/87/47/75/407874775.db2.gz YZVQHAQWAIPQSE-VBQJREDUSA-N 2 0 313.486 1.611 10 0 DDAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1C ZINC000263150598 408040075 /nfs/dbraw/zinc/04/00/75/408040075.db2.gz DAMOCCZYWQJPSK-JGGQBBKZSA-N 2 0 305.422 1.190 10 0 DDAERP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ncn1 ZINC000246441286 408256476 /nfs/dbraw/zinc/25/64/76/408256476.db2.gz ONIXSRLPSFWEIY-QLFBSQMISA-N 2 0 318.469 1.559 10 0 DDAERP CC[NH+](CC)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190668170 408298979 /nfs/dbraw/zinc/29/89/79/408298979.db2.gz QUWMSSXGVJDDJG-QGZVFWFLSA-N 2 0 318.465 1.704 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000194135694 408765851 /nfs/dbraw/zinc/76/58/51/408765851.db2.gz CGARYMXAQXISII-INIZCTEOSA-N 2 0 310.486 1.892 10 0 DDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000263270682 163941084 /nfs/dbraw/zinc/94/10/84/163941084.db2.gz SDOLIRQLIJMZRY-PBHICJAKSA-N 2 0 323.868 1.474 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000382715510 418731906 /nfs/dbraw/zinc/73/19/06/418731906.db2.gz CHDDADWUVBPVIS-JFIYKMOQSA-N 2 0 315.461 1.965 10 0 DDAERP CCC[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+](C)C ZINC000179379948 263358517 /nfs/dbraw/zinc/35/85/17/263358517.db2.gz MCKAXSRTNBXTNH-INIZCTEOSA-N 2 0 311.470 1.288 10 0 DDAERP COC[C@]1(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000643787878 423343102 /nfs/dbraw/zinc/34/31/02/423343102.db2.gz JXTKMCGPKBPOSV-QAPCUYQASA-N 2 0 319.449 1.392 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658238813 424616213 /nfs/dbraw/zinc/61/62/13/424616213.db2.gz IWLNZWHMKBJVEB-SZMVWBNQSA-N 2 0 315.461 1.965 10 0 DDAERP C[NH+](C)C[C@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000391025917 307294140 /nfs/dbraw/zinc/29/41/40/307294140.db2.gz SCJZEKOUDIETFA-XVLXNVKGSA-N 2 0 317.477 1.694 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309724445 484379718 /nfs/dbraw/zinc/37/97/18/484379718.db2.gz NBGXUQSWVYYLHK-KBAYOESNSA-N 2 0 315.461 1.870 10 0 DDAERP [NH3+]CCSCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000096754762 185386515 /nfs/dbraw/zinc/38/65/15/185386515.db2.gz PCZCYOBZSMAGEN-OAHLLOKOSA-N 2 0 307.463 1.632 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C)o1 ZINC000088542979 185256298 /nfs/dbraw/zinc/25/62/98/185256298.db2.gz WQIBCAQTNUHHLZ-GFCCVEGCSA-N 2 0 317.455 1.254 10 0 DDAERP CCC[C@@H](C(=O)N1CCN(CCOC)[C@H](CCC)C1)[NH+](C)C ZINC000252799229 282211644 /nfs/dbraw/zinc/21/16/44/282211644.db2.gz AGYLHINKBKLTBI-CVEARBPZSA-N 2 0 313.486 1.676 10 0 DDAERP Cc1ccc(C[NH3+])cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091391788 193050485 /nfs/dbraw/zinc/05/04/85/193050485.db2.gz KWOMIJXGIKGPGZ-CQSZACIVSA-N 2 0 311.451 1.168 10 0 DDAERP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])(SC)CC1 ZINC000091470776 193059983 /nfs/dbraw/zinc/05/99/83/193059983.db2.gz BDNLKXVGFUMZRN-QWHCGFSZSA-N 2 0 301.500 1.836 10 0 DDAERP CC[NH2+][C@@]1(CO)CCC[C@H]1CC[NH+](CCOC)CCOC ZINC000093617731 193275000 /nfs/dbraw/zinc/27/50/00/193275000.db2.gz ZBCUMZPEGZJSGT-JKSUJKDBSA-N 2 0 302.459 1.112 10 0 DDAERP C[NH2+][C@]1(CO)CCC[C@@H]1CC[N@H+](CCCOC)CCOC ZINC000093617542 193275759 /nfs/dbraw/zinc/27/57/59/193275759.db2.gz WLSALFBZJQUZKX-CVEARBPZSA-N 2 0 302.459 1.112 10 0 DDAERP CCC[NH2+][C@@]1(CO)CCC[C@H]([NH+](CCOC)CCOC)C1 ZINC000093783324 193306969 /nfs/dbraw/zinc/30/69/69/193306969.db2.gz HFPCORNFHJCEEW-HOTGVXAUSA-N 2 0 302.459 1.255 10 0 DDAERP COCC[NH+](CCOC)[C@H]1CCC[C@](CO)([NH2+]C2CC2)C1 ZINC000093783310 193307826 /nfs/dbraw/zinc/30/78/26/193307826.db2.gz QGYMZHJFIHBUBC-HOTGVXAUSA-N 2 0 300.443 1.007 10 0 DDAERP CC[NH+]1CCN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CC1 ZINC000094336634 193361078 /nfs/dbraw/zinc/36/10/78/193361078.db2.gz DLXQYPDCYUVDTC-UHFFFAOYSA-N 2 0 301.316 1.526 10 0 DDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000179854742 299466592 /nfs/dbraw/zinc/46/65/92/299466592.db2.gz YUKRILYDCITQEV-IMJJTQAJSA-N 2 0 311.470 1.055 10 0 DDAERP CCCCNC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862474 194150460 /nfs/dbraw/zinc/15/04/60/194150460.db2.gz XKECUIXLZGHHQQ-CABCVRRESA-N 2 0 313.486 1.316 10 0 DDAERP CCCN[C@@](C)(CCC[N@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145829 194395494 /nfs/dbraw/zinc/39/54/94/194395494.db2.gz RIGKLQDHBYGHNU-INIZCTEOSA-N 2 0 301.475 1.581 10 0 DDAERP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061642363 184180535 /nfs/dbraw/zinc/18/05/35/184180535.db2.gz VBAFQIJKJHGSPT-HUUCEWRRSA-N 2 0 310.511 1.624 10 0 DDAERP C[NH2+]C[C@H](C)C[NH2+]CCCCCCC[NH2+]C[C@@H](C)C[NH2+]C ZINC000013650042 406864795 /nfs/dbraw/zinc/86/47/95/406864795.db2.gz URYNURIXLTWTKM-IRXDYDNUSA-N 4 0 300.535 1.827 10 0 DDAERP C[N@H+](CC1CC[NH2+]CC1)C1CCN(CCn2cccn2)CC1 ZINC000178983060 407682161 /nfs/dbraw/zinc/68/21/61/407682161.db2.gz ULGMYSBTGQHNJP-UHFFFAOYSA-N 2 0 305.470 1.279 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000262289931 407785914 /nfs/dbraw/zinc/78/59/14/407785914.db2.gz MXJXWZFUUKFBLV-HNNXBMFYSA-N 2 0 321.421 1.382 10 0 DDAERP CC1CCC([NH+]2CCN(C(=O)C3(C[NH3+])CCOCC3)CC2)CC1 ZINC000262322611 407800593 /nfs/dbraw/zinc/80/05/93/407800593.db2.gz RMSZHSPUPWFXTB-UHFFFAOYSA-N 2 0 323.481 1.465 10 0 DDAERP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263164810 408042897 /nfs/dbraw/zinc/04/28/97/408042897.db2.gz FCOYHABSIOKMNU-JTNHKYCSSA-N 2 0 311.813 1.227 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000247914063 408517524 /nfs/dbraw/zinc/51/75/24/408517524.db2.gz ARRWLZPPRKBQTM-BRWVUGGUSA-N 2 0 316.449 1.777 10 0 DDAERP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCO1 ZINC000249270925 408710680 /nfs/dbraw/zinc/71/06/80/408710680.db2.gz BAZHNRRTNAAOLR-USXIJHARSA-N 2 0 319.449 1.563 10 0 DDAERP [NH3+]Cc1ccc(-c2noc(-c3ccn([C@H]4CCC[NH2+]C4)n3)n2)cc1 ZINC000262025339 163750695 /nfs/dbraw/zinc/75/06/95/163750695.db2.gz NOGAZXHFUDYWMW-AWEZNQCLSA-N 2 0 324.388 1.983 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000665283251 424773389 /nfs/dbraw/zinc/77/33/89/424773389.db2.gz JZFBWQQSJRZNFU-WDSOQIARSA-N 2 0 316.493 1.390 10 0 DDAERP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262135502 484263330 /nfs/dbraw/zinc/26/33/30/484263330.db2.gz OQDWADUKVQQCJN-JKIFEVAISA-N 2 0 319.449 1.697 10 0 DDAERP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1)C(C)C ZINC000262202570 484264851 /nfs/dbraw/zinc/26/48/51/484264851.db2.gz IFZRMKRXOXUVJT-SJORKVTESA-N 2 0 319.449 1.227 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000333457630 484431403 /nfs/dbraw/zinc/43/14/03/484431403.db2.gz YMJWKUYWQOAKEV-OAGGEKHMSA-N 2 0 310.486 1.876 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713223830 699265199 /nfs/dbraw/zinc/26/51/99/699265199.db2.gz BMEBCGZWRSIBBE-KBEGMRNHSA-N 2 0 301.434 1.751 10 0 DDAERP COc1ccc(Br)cc1[C@H](C[NH3+])NCC[NH+](C)C ZINC000087912150 185237311 /nfs/dbraw/zinc/23/73/11/185237311.db2.gz KDOMHMXYCCFUGJ-LBPRGKRZSA-N 2 0 316.243 1.609 10 0 DDAERP C[C@H]([NH3+])c1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000092633780 185330443 /nfs/dbraw/zinc/33/04/43/185330443.db2.gz NDQRZPGNYVMYDY-JSGCOSHPSA-N 2 0 311.451 1.421 10 0 DDAERP CN(C(=O)C1([NH3+])CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390810993 539511027 /nfs/dbraw/zinc/51/10/27/539511027.db2.gz USCLDQLVMFGGAO-INIZCTEOSA-N 2 0 317.433 1.227 10 0 DDAERP C[NH+](C)CCCCN1Cc2ccc(C[NH+](C)C)cc2[C@H]1C[NH3+] ZINC000071683827 191006991 /nfs/dbraw/zinc/00/69/91/191006991.db2.gz VCFPIIUWXPQTJX-GOSISDBHSA-N 3 0 304.482 1.905 10 0 DDAERP CC(C)[NH+]1CCC(N2CC[N@H+](CC3CC3)C[C@@H]2CCO)CC1 ZINC000071751382 191021969 /nfs/dbraw/zinc/02/19/69/191021969.db2.gz WWUXWURBKNMYNE-SFHVURJKSA-N 2 0 309.498 1.638 10 0 DDAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000262365213 291046450 /nfs/dbraw/zinc/04/64/50/291046450.db2.gz KZSWSTQERCPLTM-QSPRXWTASA-N 2 0 301.434 1.936 10 0 DDAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000093516541 193262902 /nfs/dbraw/zinc/26/29/02/193262902.db2.gz KGCBFTKNTGEBAR-CHWSQXEVSA-N 2 0 305.488 1.215 10 0 DDAERP NC(=O)[C@@]1([NH3+])CCC[C@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093596140 193271076 /nfs/dbraw/zinc/27/10/76/193271076.db2.gz JQJRWDRPYOAMTK-GXFFZTMASA-N 2 0 307.360 1.634 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094634709 193386131 /nfs/dbraw/zinc/38/61/31/193386131.db2.gz FFQBTSMQDQNGNN-QWHCGFSZSA-N 2 0 320.524 1.499 10 0 DDAERP C[NH+](C)CCN1CCN([C@@]2(C[NH3+])CSCCC2(C)C)CC1 ZINC000094484274 193372692 /nfs/dbraw/zinc/37/26/92/193372692.db2.gz OGWPUNPGZJIRDL-INIZCTEOSA-N 2 0 314.543 1.026 10 0 DDAERP [NH3+]CCN(CC[NH3+])CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000028247768 182516397 /nfs/dbraw/zinc/51/63/97/182516397.db2.gz LPJRXDMCJUVPTD-UHFFFAOYSA-N 3 0 312.461 1.663 10 0 DDAERP CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)CC[NH+](C)C)c1 ZINC000111141153 194394493 /nfs/dbraw/zinc/39/44/93/194394493.db2.gz TZPDKDPIGIJLSY-CYBMUJFWSA-N 2 0 313.467 1.539 10 0 DDAERP C[NH2+]Cc1cc(Br)cnc1N(C)CCC[NH+](C)C ZINC000111149447 194395933 /nfs/dbraw/zinc/39/59/33/194395933.db2.gz NMKCPDVYUXTUBP-UHFFFAOYSA-N 2 0 315.259 1.951 10 0 DDAERP CC[C@H]([NH3+])[C@@H](c1cccs1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642428 184180104 /nfs/dbraw/zinc/18/01/04/184180104.db2.gz CLEZIJBKLVPKJT-HOCLYGCPSA-N 2 0 310.511 1.706 10 0 DDAERP C[C@@H](CNC(=O)c1c[nH+]c(NN)c(Cl)c1)C[NH+]1CCCC1 ZINC000062070893 184204666 /nfs/dbraw/zinc/20/46/66/184204666.db2.gz QZHBGZWGTFGWOI-JTQLQIEISA-N 2 0 311.817 1.482 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000062968006 184263855 /nfs/dbraw/zinc/26/38/55/184263855.db2.gz FJDKCVRWKXJLPS-CQSZACIVSA-N 2 0 311.451 1.250 10 0 DDAERP Cc1nc(C(=O)NCC[NH+](C)C)c(C)n1C1CC[NH+](C)CC1 ZINC000065257282 184318442 /nfs/dbraw/zinc/31/84/42/184318442.db2.gz GVNAWSQQBCRFRT-UHFFFAOYSA-N 2 0 307.442 1.058 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000123366038 407326863 /nfs/dbraw/zinc/32/68/63/407326863.db2.gz DJBPNNYKRIPGDN-HOTGVXAUSA-N 2 0 310.486 1.748 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000113617259 407519440 /nfs/dbraw/zinc/51/94/40/407519440.db2.gz GETJKKVGOKMCME-GOEBONIOSA-N 2 0 308.470 1.739 10 0 DDAERP c1c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)nc2ccccn12 ZINC000261910033 407666977 /nfs/dbraw/zinc/66/69/77/407666977.db2.gz IVJXJCIOLRFJGR-GVDBMIGSSA-N 2 0 314.433 1.624 10 0 DDAERP CCCn1cc(CN2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262023681 407714903 /nfs/dbraw/zinc/71/49/03/407714903.db2.gz NJQCSDLEKHITIR-GOSISDBHSA-N 2 0 319.497 1.800 10 0 DDAERP C[N@H+](CCCNC(=O)C1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000262088693 407734733 /nfs/dbraw/zinc/73/47/33/407734733.db2.gz HTIVSUNLVSYAGN-UHFFFAOYSA-N 2 0 311.470 1.513 10 0 DDAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262319908 407796968 /nfs/dbraw/zinc/79/69/68/407796968.db2.gz VKIKTWARIHYGSL-HRCADAONSA-N 2 0 311.470 1.463 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000174114577 407916189 /nfs/dbraw/zinc/91/61/89/407916189.db2.gz CZGCHIMLUDHCJG-BRWVUGGUSA-N 2 0 322.497 1.987 10 0 DDAERP C[NH+](C)C[C@@H]1CCN(C/C=C/CN2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000246310372 408214720 /nfs/dbraw/zinc/21/47/20/408214720.db2.gz DHEFQRREMAUHFQ-ZBKUBXTQSA-N 2 0 308.514 1.310 10 0 DDAERP C[NH2+][C@@H](C)CNC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000261744309 163695161 /nfs/dbraw/zinc/69/51/61/163695161.db2.gz MTHRQTFUPUUJQA-ZDUSSCGKSA-N 2 0 307.463 1.573 10 0 DDAERP Cc1csc(N2CCC([NH2+]C[C@@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000305166643 409710899 /nfs/dbraw/zinc/71/08/99/409710899.db2.gz YQNFTGCVZHQQAJ-OAHLLOKOSA-N 2 0 324.494 1.467 10 0 DDAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC000649276356 423715393 /nfs/dbraw/zinc/71/53/93/423715393.db2.gz QLBCUWXGFAUFOD-MRXNPFEDSA-N 2 0 317.433 1.003 10 0 DDAERP COC[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649278914 423715852 /nfs/dbraw/zinc/71/58/52/423715852.db2.gz NBOPPILJQWSHQC-FUHWJXTLSA-N 2 0 317.433 1.146 10 0 DDAERP CCC[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)[NH+](C)C ZINC000136521001 273620157 /nfs/dbraw/zinc/62/01/57/273620157.db2.gz BKSLEYXQDAMCNH-QGZVFWFLSA-N 2 0 321.465 1.974 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000246307731 279294658 /nfs/dbraw/zinc/29/46/58/279294658.db2.gz NMZMRNGFSKICCD-WZYMTQMTSA-N 2 0 308.470 1.785 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000246988012 282027056 /nfs/dbraw/zinc/02/70/56/282027056.db2.gz QJALYBWNYNTFKE-IIAWOOMASA-N 2 0 308.470 1.737 10 0 DDAERP Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n(C2CC[NH+](C)CC2)n1 ZINC000261659199 484253759 /nfs/dbraw/zinc/25/37/59/484253759.db2.gz DZTNVSIBUJUTDD-UKRRQHHQSA-N 2 0 319.453 1.772 10 0 DDAERP COCCN(CCC[NH+](C)C)C(=O)C[C@H](C[NH3+])CC(C)C ZINC000088277514 185244770 /nfs/dbraw/zinc/24/47/70/185244770.db2.gz YKGQZEJBNBJXJA-OAHLLOKOSA-N 2 0 301.475 1.424 10 0 DDAERP CC[NH+](CC)[C@@H](CNS(=O)(=O)[C@H](C)C[NH3+])c1ccccc1 ZINC000088472014 185252077 /nfs/dbraw/zinc/25/20/77/185252077.db2.gz SYTCTNYKQYDPSN-HIFRSBDPSA-N 2 0 313.467 1.336 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccc(C[NH3+])o1 ZINC000088543065 185256001 /nfs/dbraw/zinc/25/60/01/185256001.db2.gz WQKCZFVTMYGUBQ-UHFFFAOYSA-N 2 0 303.428 1.137 10 0 DDAERP Cc1ccc2c(c1)[C@@H](C[NH3+])N(C[C@@H](C)C[NH+]1CCOCC1)C2 ZINC000071683001 191007476 /nfs/dbraw/zinc/00/74/76/191007476.db2.gz XGSODIDDUWUQOF-MAUKXSAKSA-N 2 0 303.450 1.779 10 0 DDAERP C[NH+]1CCN([C@H](CN2CC[NH2+]CC2)c2ccc(Cl)cc2)CC1 ZINC000036470605 352295198 /nfs/dbraw/zinc/29/51/98/352295198.db2.gz KSSQMUBZHMTKQS-QGZVFWFLSA-N 2 0 322.884 1.534 10 0 DDAERP C[NH+](C)CCN1C(N)=[NH+]C[C@H]1c1cc(Br)cs1 ZINC000093374735 193240436 /nfs/dbraw/zinc/24/04/36/193240436.db2.gz RLXXYWGOYOKQCU-VIFPVBQESA-N 2 0 317.256 1.744 10 0 DDAERP NC(=[NH2+])c1ccc(C(F)(F)F)nc1OCC[NH+]1CCCC1 ZINC000094336855 193360990 /nfs/dbraw/zinc/36/09/90/193360990.db2.gz QHUJQMWOZBARDP-UHFFFAOYSA-N 2 0 302.300 1.859 10 0 DDAERP C[NH2+]CCC1CC[NH+]([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094638746 193387704 /nfs/dbraw/zinc/38/77/04/193387704.db2.gz YXPULHJEEBLENO-GJZGRUSLSA-N 2 0 302.484 1.664 10 0 DDAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NCCCOC ZINC000020365673 182211806 /nfs/dbraw/zinc/21/18/06/182211806.db2.gz ZDHCVSOOKRSVOE-LSDHHAIUSA-N 2 0 301.475 1.628 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)Cc1ccccc1C[NH3+] ZINC000041676099 183215464 /nfs/dbraw/zinc/21/54/64/183215464.db2.gz DSQUFUXAROKQQL-CYBMUJFWSA-N 2 0 313.467 1.295 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000041681738 183215986 /nfs/dbraw/zinc/21/59/86/183215986.db2.gz SXGVRGODJGIUKN-CHWSQXEVSA-N 2 0 313.467 1.715 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000041681993 183216746 /nfs/dbraw/zinc/21/67/46/183216746.db2.gz CPVUYFYHGUUWBJ-ZDUSSCGKSA-N 2 0 313.467 1.415 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C(N)=O)c2ccccc2)CC1 ZINC000105862444 194149751 /nfs/dbraw/zinc/14/97/51/194149751.db2.gz FQARZZRFLWBRHC-PBHICJAKSA-N 2 0 319.449 1.238 10 0 DDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000111884083 407419442 /nfs/dbraw/zinc/41/94/42/407419442.db2.gz KNDKPGUABNETNQ-JKSUJKDBSA-N 2 0 308.470 1.741 10 0 DDAERP Cn1cc([C@H]2[C@H](C[N@H+](C)CC3CC[NH2+]CC3)CCCN2C)cn1 ZINC000261744004 407597576 /nfs/dbraw/zinc/59/75/76/407597576.db2.gz BRKFCAINNLKPBE-FUHWJXTLSA-N 2 0 319.497 1.734 10 0 DDAERP CNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261890288 407657124 /nfs/dbraw/zinc/65/71/24/407657124.db2.gz GKODMTUGBXNOTQ-BBWFWOEESA-N 2 0 317.433 1.293 10 0 DDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000262043612 407722810 /nfs/dbraw/zinc/72/28/10/407722810.db2.gz YWIGFNRCTKLLLF-KSZLIROESA-N 2 0 309.498 1.855 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000262054046 407726527 /nfs/dbraw/zinc/72/65/27/407726527.db2.gz ZZPOWNSZCUESTC-XDNAFOTISA-N 2 0 309.498 1.854 10 0 DDAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000237953515 407853644 /nfs/dbraw/zinc/85/36/44/407853644.db2.gz QZNKIIFGULLSDM-LSDHHAIUSA-N 2 0 309.454 1.217 10 0 DDAERP O[C@H]1C[NH2+]C[C@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000263278522 408087397 /nfs/dbraw/zinc/08/73/97/408087397.db2.gz TVUVQDWFZCCRCH-YJBOKZPZSA-N 2 0 321.440 1.003 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246402493 408244972 /nfs/dbraw/zinc/24/49/72/408244972.db2.gz JYBOHUKVDKKNLP-SJORKVTESA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000247440292 408470357 /nfs/dbraw/zinc/47/03/57/408470357.db2.gz RYFUEWKUAXYIKV-NYTXWWLZSA-N 2 0 308.470 1.640 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2ccnc2c1 ZINC000177787940 408712592 /nfs/dbraw/zinc/71/25/92/408712592.db2.gz ZKNZIFKBRARGEU-DZGCQCFKSA-N 2 0 313.405 1.712 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378904287 418726210 /nfs/dbraw/zinc/72/62/10/418726210.db2.gz JLBCMDKUCIPIOB-HYVNUMGLSA-N 2 0 301.434 1.480 10 0 DDAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261780148 275745365 /nfs/dbraw/zinc/74/53/65/275745365.db2.gz HIHFDWQOZZGJAH-HNNXBMFYSA-N 2 0 305.422 1.434 10 0 DDAERP O=c1oc2ccccc2c(N2CC[NH2+]CC2)c1C[NH+]1CCCC1 ZINC000020177671 280397091 /nfs/dbraw/zinc/39/70/91/280397091.db2.gz VGCOXUIMKAFCTG-UHFFFAOYSA-N 2 0 313.401 1.798 10 0 DDAERP CCC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)[NH+](C)C ZINC000127853306 281288435 /nfs/dbraw/zinc/28/84/35/281288435.db2.gz NWLOFLJPRYYSHW-ZBFHGGJFSA-N 2 0 313.486 1.268 10 0 DDAERP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400332067 302368961 /nfs/dbraw/zinc/36/89/61/302368961.db2.gz FCXBFXGFOWGKEY-IEBWSBKVSA-N 3 0 316.493 1.392 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000309716518 484379350 /nfs/dbraw/zinc/37/93/50/484379350.db2.gz KYOGCHKQVFMYPS-PVAVHDDUSA-N 2 0 303.450 1.998 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000262205172 698459146 /nfs/dbraw/zinc/45/91/46/698459146.db2.gz DLCPQEIHHIBSJA-CQSZACIVSA-N 2 0 309.435 1.148 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CC ZINC000262357675 698465929 /nfs/dbraw/zinc/46/59/29/698465929.db2.gz IDTYWGCXXHRXMF-HRCADAONSA-N 2 0 311.470 1.334 10 0 DDAERP COCC[N@H+](C)CCNC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079293753 185163713 /nfs/dbraw/zinc/16/37/13/185163713.db2.gz VXPZNDHDKUMAGW-CQSZACIVSA-N 2 0 301.475 1.472 10 0 DDAERP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236923031 202072840 /nfs/dbraw/zinc/07/28/40/202072840.db2.gz QMWUFWBNGPBNSL-CHWSQXEVSA-N 2 0 305.426 1.606 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000091473688 193061520 /nfs/dbraw/zinc/06/15/20/193061520.db2.gz RFELGVWHKPWFRS-AWEZNQCLSA-N 2 0 313.511 1.934 10 0 DDAERP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[NH+](C)C)cc1 ZINC000261872856 203141048 /nfs/dbraw/zinc/14/10/48/203141048.db2.gz TXYZXGGNNWVBAX-PMPSAXMXSA-N 2 0 305.422 1.220 10 0 DDAERP CC[NH2+]CC1CC[NH+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094644241 193389656 /nfs/dbraw/zinc/38/96/56/193389656.db2.gz LIEMRTQPFOCWCX-CABCVRRESA-N 2 0 302.484 1.664 10 0 DDAERP CC(C)(C[NH3+])N1CC[NH+]([C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094364705 193366045 /nfs/dbraw/zinc/36/60/45/193366045.db2.gz JSQXRYCXDIYXAR-GOEBONIOSA-N 2 0 313.511 1.396 10 0 DDAERP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000041681720 183215850 /nfs/dbraw/zinc/21/58/50/183215850.db2.gz ONRFUAFUPUFEKG-ZDUSSCGKSA-N 2 0 313.467 1.587 10 0 DDAERP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000042169386 183238088 /nfs/dbraw/zinc/23/80/88/183238088.db2.gz SJILWLJHYDWVJC-AWEZNQCLSA-N 2 0 307.463 1.925 10 0 DDAERP CCC[NH+]1CCC(C[NH3+])(N(CCOC)[C@H](C)COC)CC1 ZINC000042606630 183290398 /nfs/dbraw/zinc/29/03/98/183290398.db2.gz KCXOOWFKLWMJBP-OAHLLOKOSA-N 2 0 301.475 1.173 10 0 DDAERP CCCC[C@H](C(=O)OC)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915394 194169682 /nfs/dbraw/zinc/16/96/82/194169682.db2.gz KGUUYNUGBKDKMS-GDBMZVCRSA-N 2 0 314.470 1.743 10 0 DDAERP CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000049225573 183720635 /nfs/dbraw/zinc/72/06/35/183720635.db2.gz YCIUTODPGKHNSU-UONOGXRCSA-N 2 0 305.488 1.024 10 0 DDAERP CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)CC[NH2+]C(C)C ZINC000049641129 183750708 /nfs/dbraw/zinc/75/07/08/183750708.db2.gz CTXDLSNTSMGRFT-AWEZNQCLSA-N 2 0 307.504 1.414 10 0 DDAERP CCC[C@@H](C[NH3+])N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000109462090 194265330 /nfs/dbraw/zinc/26/53/30/194265330.db2.gz VVMAHNRDBRUZMH-ZDUSSCGKSA-N 2 0 311.392 1.700 10 0 DDAERP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000158080656 197241553 /nfs/dbraw/zinc/24/15/53/197241553.db2.gz YFXXXDBIOZDROR-QZTJIDSGSA-N 2 0 306.450 1.838 10 0 DDAERP COc1ccc(-c2noc(CN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000261629945 407561063 /nfs/dbraw/zinc/56/10/63/407561063.db2.gz CXVFRANSHYALTD-CFVMTHIKSA-N 2 0 314.389 1.914 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000113601994 407518292 /nfs/dbraw/zinc/51/82/92/407518292.db2.gz ZZXMKBPFCSTWKN-XHSDSOJGSA-N 2 0 308.470 1.596 10 0 DDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170832896 407521358 /nfs/dbraw/zinc/52/13/58/407521358.db2.gz OKNIMTKIUHHHKL-DLBZAZTESA-N 2 0 318.465 1.505 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000262091130 407739254 /nfs/dbraw/zinc/73/92/54/407739254.db2.gz DBGPQUURKAMVOA-HNNXBMFYSA-N 2 0 311.470 1.369 10 0 DDAERP Cc1csc(=O)n1CC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262112475 407743908 /nfs/dbraw/zinc/74/39/08/407743908.db2.gz BBYGQCMNWVIHLJ-CVEARBPZSA-N 2 0 317.458 1.893 10 0 DDAERP CC(C)n1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000179517020 407799319 /nfs/dbraw/zinc/79/93/19/407799319.db2.gz DHBFRMFAPKSDIA-OAHLLOKOSA-N 2 0 308.470 1.989 10 0 DDAERP CC[C@@H]1CN(Cc2nccc(OC)c2OC)CC[N@@H+]1CCOC ZINC000190523873 408267789 /nfs/dbraw/zinc/26/77/89/408267789.db2.gz GLIWLZZUWWKDSL-CQSZACIVSA-N 2 0 323.437 1.641 10 0 DDAERP COc1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C)nn1C ZINC000134110546 162072590 /nfs/dbraw/zinc/07/25/90/162072590.db2.gz LQYDVAQVCBWRMO-UHFFFAOYSA-N 2 0 322.453 1.281 10 0 DDAERP Cc1nccn1C[C@H]1CCCN1CC(=O)N(C)CC(F)(F)F ZINC000178319011 408805354 /nfs/dbraw/zinc/80/53/54/408805354.db2.gz YQKWBDQNQSIHBJ-GFCCVEGCSA-N 2 0 318.343 1.677 10 0 DDAERP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(-c2ccnn2C)c1 ZINC000262093670 163766581 /nfs/dbraw/zinc/76/65/81/163766581.db2.gz HJFBFWUBWUHUOD-RHSMWYFYSA-N 2 0 300.406 1.065 10 0 DDAERP COC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000638513714 422937616 /nfs/dbraw/zinc/93/76/16/422937616.db2.gz NDNIXFRYYSZAQW-DLBZAZTESA-N 2 0 319.449 1.329 10 0 DDAERP C[NH+](C)CC1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000119112265 281090756 /nfs/dbraw/zinc/09/07/56/281090756.db2.gz FYLXMVYYJXHKQU-JCYILVPMSA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000397445303 302354414 /nfs/dbraw/zinc/35/44/14/302354414.db2.gz KFNLPQIEEXTRSZ-KGLIPLIRSA-N 2 0 313.442 1.212 10 0 DDAERP O=C(N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC000186572046 697535257 /nfs/dbraw/zinc/53/52/57/697535257.db2.gz LOMPKWSVUGEGJC-NVXWUHKLSA-N 2 0 320.412 1.254 10 0 DDAERP [NH3+]C[C@@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CO1 ZINC000713823066 699267599 /nfs/dbraw/zinc/26/75/99/699267599.db2.gz RFGQBODJCMXVQT-IRXDYDNUSA-N 2 0 317.433 1.085 10 0 DDAERP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000864370763 706149246 /nfs/dbraw/zinc/14/92/46/706149246.db2.gz XUGOQPRNYUUDDY-BBRMVZONSA-N 2 0 313.405 1.333 10 0 DDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3C)C2)[C@H]1C(C)C ZINC000888097743 709212604 /nfs/dbraw/zinc/21/26/04/709212604.db2.gz NSTSURPEHZFDBH-TVFCKZIOSA-N 2 0 320.481 1.688 10 0 DDAERP C[NH+](C)CCN[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000087911976 185237246 /nfs/dbraw/zinc/23/72/46/185237246.db2.gz ABPHXJUFIWBHGV-GFCCVEGCSA-N 2 0 304.207 1.739 10 0 DDAERP CC(C)c1nccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)n1 ZINC000072153677 191057287 /nfs/dbraw/zinc/05/72/87/191057287.db2.gz GKMQRDAEHZIJTE-KRWDZBQOSA-N 2 0 306.454 1.879 10 0 DDAERP COCC[NH+](CCOC)[C@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093783327 193307470 /nfs/dbraw/zinc/30/74/70/193307470.db2.gz XCGBHVVCNKEQFV-JKSUJKDBSA-N 2 0 302.459 1.253 10 0 DDAERP COCC[NH+](CCOC)[C@@H]1CCC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093783307 193307774 /nfs/dbraw/zinc/30/77/74/193307774.db2.gz QGYMZHJFIHBUBC-HZPDHXFCSA-N 2 0 300.443 1.007 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH+]2CCC(C[NH2+]C3CC3)CC2)C1 ZINC000094644255 193389762 /nfs/dbraw/zinc/38/97/62/193389762.db2.gz CNFAWMKCAPLORU-HZPDHXFCSA-N 2 0 314.495 1.806 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000094459098 193371752 /nfs/dbraw/zinc/37/17/52/193371752.db2.gz OVHMYSWNBDCXPZ-TZMCWYRMSA-N 2 0 309.435 1.003 10 0 DDAERP CN(c1nc[nH+]c(NNC(C)(C)C)c1N)C1CC[NH+](C)CC1 ZINC000040796664 183135299 /nfs/dbraw/zinc/13/52/99/183135299.db2.gz CYCHTWFBNNLGKO-UHFFFAOYSA-N 2 0 307.446 1.304 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000110389607 194327130 /nfs/dbraw/zinc/32/71/30/194327130.db2.gz DZKLOZJXPTYJGI-AWEZNQCLSA-N 2 0 311.451 1.121 10 0 DDAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(N)=O ZINC000111145908 194395867 /nfs/dbraw/zinc/39/58/67/194395867.db2.gz YVKZLTUXJLUTEU-INIZCTEOSA-N 3 0 300.491 1.282 10 0 DDAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC[NH+](C)C2CCCC2)[C@@H](C)C1 ZINC000119878293 195054636 /nfs/dbraw/zinc/05/46/36/195054636.db2.gz VPSPFWUCLYOXTP-HOCLYGCPSA-N 2 0 310.486 1.889 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000246538467 285266475 /nfs/dbraw/zinc/26/64/75/285266475.db2.gz APQUQLBTFXHBSW-HRCADAONSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261789006 288475578 /nfs/dbraw/zinc/47/55/78/288475578.db2.gz GMNVVNWOPMPZFN-TUVASFSCSA-N 2 0 311.470 1.365 10 0 DDAERP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)CC1CC[NH2+]CC1 ZINC000261658265 407571679 /nfs/dbraw/zinc/57/16/79/407571679.db2.gz GQWQCGRWYXKNPA-HNNXBMFYSA-N 3 0 308.495 1.863 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)C1CCCCC1 ZINC000261896437 407659393 /nfs/dbraw/zinc/65/93/93/407659393.db2.gz WANJQEDKMNRDOW-HOTGVXAUSA-N 2 0 311.470 1.367 10 0 DDAERP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000262014595 407711110 /nfs/dbraw/zinc/71/11/10/407711110.db2.gz VVIULVNFSFEXFZ-BRWVUGGUSA-N 2 0 309.498 1.998 10 0 DDAERP C[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000262133118 407748304 /nfs/dbraw/zinc/74/83/04/407748304.db2.gz YIYMFESRVVUFNE-MAUKXSAKSA-N 3 0 316.493 1.996 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCCN1CCOCC1 ZINC000175045614 408035595 /nfs/dbraw/zinc/03/55/95/408035595.db2.gz QENUSUHFIIXZSN-DLBZAZTESA-N 2 0 323.481 1.574 10 0 DDAERP CC(C)N1CC[C@H]([N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1=O ZINC000245480370 407998556 /nfs/dbraw/zinc/99/85/56/407998556.db2.gz XFOVWNJCAZNSBS-HOCLYGCPSA-N 2 0 311.470 1.020 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000245591072 408020824 /nfs/dbraw/zinc/02/08/24/408020824.db2.gz BBRAGOJGTFVJHB-BBWFWOEESA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)N1CC[C@H]([N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)C1=O ZINC000175191374 408074931 /nfs/dbraw/zinc/07/49/31/408074931.db2.gz XFOVWNJCAZNSBS-ZBFHGGJFSA-N 2 0 311.470 1.020 10 0 DDAERP C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151299547 408292181 /nfs/dbraw/zinc/29/21/81/408292181.db2.gz HXPRWIMOZQVZRY-ZBFHGGJFSA-N 2 0 320.433 1.955 10 0 DDAERP CC(C)[N@H+]1C[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000132455870 162037025 /nfs/dbraw/zinc/03/70/25/162037025.db2.gz JNYUQDZNPLOIRJ-HOCLYGCPSA-N 2 0 310.486 1.698 10 0 DDAERP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@H]2C1 ZINC000249840567 408769995 /nfs/dbraw/zinc/76/99/95/408769995.db2.gz WHQNPTQXXZIUMO-ZWKOTPCHSA-N 2 0 313.445 1.958 10 0 DDAERP [NH3+]C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000309532117 409784115 /nfs/dbraw/zinc/78/41/15/409784115.db2.gz CQUVOVAHFAYLNH-JCYILVPMSA-N 2 0 301.434 1.895 10 0 DDAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000384467977 418734820 /nfs/dbraw/zinc/73/48/20/418734820.db2.gz MBRNIYDRLAVILA-WBVHZDCISA-N 2 0 303.450 1.965 10 0 DDAERP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638836196 423147977 /nfs/dbraw/zinc/14/79/77/423147977.db2.gz RLRTVBBBCHJRLB-OIISXLGYSA-N 2 0 303.450 1.998 10 0 DDAERP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649335555 423763390 /nfs/dbraw/zinc/76/33/90/423763390.db2.gz JPNJTDNBAGIRSI-DLBZAZTESA-N 2 0 317.433 1.003 10 0 DDAERP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171903271 278340648 /nfs/dbraw/zinc/34/06/48/278340648.db2.gz IRKLPLUTWLGFIY-HNNXBMFYSA-N 2 0 308.470 1.739 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246389348 279124607 /nfs/dbraw/zinc/12/46/07/279124607.db2.gz IHWSLHKRUJZCOP-CVEARBPZSA-N 2 0 310.486 1.842 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000179856406 525787127 /nfs/dbraw/zinc/78/71/27/525787127.db2.gz AULUVVLJPBAWCS-CQSZACIVSA-N 2 0 311.470 1.057 10 0 DDAERP CC[NH+]1CCC(C[NH3+])(N2CCN(c3ccccc3)CC2)CC1 ZINC000019795801 535451633 /nfs/dbraw/zinc/45/16/33/535451633.db2.gz JDMORUDDERYUJX-UHFFFAOYSA-N 2 0 302.466 1.622 10 0 DDAERP COC[C@]1(C)CC(=O)N(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)C1 ZINC000246338809 698348252 /nfs/dbraw/zinc/34/82/52/698348252.db2.gz LCLGSKSTSACMOP-DOTOQJQBSA-N 2 0 320.437 1.498 10 0 DDAERP C[NH+](C)C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccccc1 ZINC000261851182 698441202 /nfs/dbraw/zinc/44/12/02/698441202.db2.gz DOFMNUPMBSIDIJ-MRXNPFEDSA-N 2 0 305.422 1.174 10 0 DDAERP Cc1sc(C[NH3+])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092679021 185333308 /nfs/dbraw/zinc/33/33/08/185333308.db2.gz IWABTWDBFMHWPV-NSHDSACASA-N 2 0 317.480 1.230 10 0 DDAERP CO[C@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000302907860 282382413 /nfs/dbraw/zinc/38/24/13/282382413.db2.gz YRTBXTAKRHJTID-IAGOWNOFSA-N 2 0 317.433 1.144 10 0 DDAERP Cc1cc(=O)n2nc(C[N@@H+](C)C3CCC([NH3+])CC3)sc2n1 ZINC000091846965 193117047 /nfs/dbraw/zinc/11/70/47/193117047.db2.gz VZOVXVVXRPLMIG-UHFFFAOYSA-N 2 0 307.423 1.161 10 0 DDAERP CC(C)c1nc(N2CCN(CC[NH+](C)C)CC2)sc1C[NH3+] ZINC000093000231 193192814 /nfs/dbraw/zinc/19/28/14/193192814.db2.gz MIDQLWUJNLMRKC-UHFFFAOYSA-N 2 0 311.499 1.409 10 0 DDAERP COCC[NH+](CCOC)[C@H]1CCC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093783308 193307529 /nfs/dbraw/zinc/30/75/29/193307529.db2.gz QGYMZHJFIHBUBC-JKSUJKDBSA-N 2 0 300.443 1.007 10 0 DDAERP CS(=O)(=O)[C@H]1CCC[C@@H]([N@H+](CC2CC[NH2+]CC2)C2CC2)C1 ZINC000094638899 193387997 /nfs/dbraw/zinc/38/79/97/193387997.db2.gz STWCWSNIJQOYOY-CVEARBPZSA-N 2 0 314.495 1.806 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000105862507 194149568 /nfs/dbraw/zinc/14/95/68/194149568.db2.gz VXLVFUWLXZMODB-QFBILLFUSA-N 2 0 320.477 1.615 10 0 DDAERP C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(C(C)(C)N3CC[NH2+]CC3)sc12 ZINC000109472948 194267167 /nfs/dbraw/zinc/26/71/67/194267167.db2.gz AFYSTYGINGAZDU-WCQYABFASA-N 2 0 306.479 1.975 10 0 DDAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061642335 184180085 /nfs/dbraw/zinc/18/00/85/184180085.db2.gz QWDPRZGGLAXIEZ-GDBMZVCRSA-N 2 0 310.511 1.624 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000125669718 407394996 /nfs/dbraw/zinc/39/49/96/407394996.db2.gz LTDUDUKSPFNWCQ-MRXNPFEDSA-N 2 0 310.486 1.748 10 0 DDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170830020 407522260 /nfs/dbraw/zinc/52/22/60/407522260.db2.gz RDQDWKRZQOAKBR-HOTGVXAUSA-N 2 0 310.486 1.987 10 0 DDAERP CC[NH+](CC)Cc1ccccc1CNC(=O)C1([NH3+])CCOCC1 ZINC000261742408 407597699 /nfs/dbraw/zinc/59/76/99/407597699.db2.gz ODFLJAOAMOASKB-UHFFFAOYSA-N 2 0 319.449 1.653 10 0 DDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000261797181 407618996 /nfs/dbraw/zinc/61/89/96/407618996.db2.gz IPSZVMWYPOYWFO-ZBFHGGJFSA-N 2 0 317.433 1.446 10 0 DDAERP CCn1cc(CN2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000261929216 407675407 /nfs/dbraw/zinc/67/54/07/407675407.db2.gz CPUQRGWZNYSWMJ-QGZVFWFLSA-N 2 0 305.470 1.410 10 0 DDAERP Cn1c2ccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2sc1=O ZINC000262036994 407720878 /nfs/dbraw/zinc/72/08/78/407720878.db2.gz XTVAGDKPNQOGTL-AVGNSLFASA-N 2 0 303.431 1.769 10 0 DDAERP Cc1ccc(N2CCC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)nn1 ZINC000245592649 408022272 /nfs/dbraw/zinc/02/22/72/408022272.db2.gz KXVMGIUJINIBTG-MRXNPFEDSA-N 2 0 303.454 1.781 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000246426964 408251200 /nfs/dbraw/zinc/25/12/00/408251200.db2.gz STDNYWBNFQFLSY-UXLLHSPISA-N 2 0 320.481 1.739 10 0 DDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246423615 408253088 /nfs/dbraw/zinc/25/30/88/408253088.db2.gz MHTWRSBEGCHWBU-ZACQAIPSSA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000132455679 162037202 /nfs/dbraw/zinc/03/72/02/162037202.db2.gz JNYUQDZNPLOIRJ-ZBFHGGJFSA-N 2 0 310.486 1.698 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000247095353 408407111 /nfs/dbraw/zinc/40/71/11/408407111.db2.gz JRDBTQWUNYXIEL-BZUAXINKSA-N 2 0 310.486 1.746 10 0 DDAERP C(CN1CC[NH+]2CCCC[C@@H]2C1)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000177751605 408700785 /nfs/dbraw/zinc/70/07/85/408700785.db2.gz DXPONNDDKZBPJJ-KDURUIRLSA-N 2 0 320.525 1.717 10 0 DDAERP C[C@H]([NH3+])[C@@H]1CN([C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCO1 ZINC000253370630 408813582 /nfs/dbraw/zinc/81/35/82/408813582.db2.gz UBYXGWGQSXDALW-NEPXVJNWSA-N 2 0 317.477 1.945 10 0 DDAERP CC(C)c1nc2n(n1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000192984346 163243658 /nfs/dbraw/zinc/24/36/58/163243658.db2.gz MBWNMHYQULRDOX-AVOUXACISA-N 2 0 303.454 1.931 10 0 DDAERP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc21 ZINC000188777834 306721352 /nfs/dbraw/zinc/72/13/52/306721352.db2.gz VHOFMFCIQRZXMR-DZGCQCFKSA-N 2 0 318.396 1.841 10 0 DDAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638804754 423131150 /nfs/dbraw/zinc/13/11/50/423131150.db2.gz VPTONQZWRFLAGM-HRCADAONSA-N 2 0 305.397 1.325 10 0 DDAERP [NH3+]C1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000261540104 418568912 /nfs/dbraw/zinc/56/89/12/418568912.db2.gz DSGOVEHTYHQIOY-UHFFFAOYSA-N 2 0 317.433 1.275 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000638837276 423151719 /nfs/dbraw/zinc/15/17/19/423151719.db2.gz YRXIXPQQPHZHIQ-LAVFITLUSA-N 2 0 315.461 1.998 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247390605 279128615 /nfs/dbraw/zinc/12/86/15/279128615.db2.gz QKOISHHFLSRLTC-ARFHVFGLSA-N 2 0 312.502 1.991 10 0 DDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000247520429 279273053 /nfs/dbraw/zinc/27/30/53/279273053.db2.gz ZCHSIUHYGQSZGU-XHSDSOJGSA-N 2 0 310.486 1.889 10 0 DDAERP CC[NH+]1CC[C@@H](N(C)C(=O)N[C@H]2CCC[N@@H+](CC)C2)[C@@H](C)C1 ZINC000128584900 281316025 /nfs/dbraw/zinc/31/60/25/281316025.db2.gz UOQDLGQPPFPGPU-HRCADAONSA-N 2 0 310.486 1.842 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC[C@H](O)C[NH+]1CCCC1 ZINC000381096739 490777625 /nfs/dbraw/zinc/77/76/25/490777625.db2.gz YIJYYCLQCDAJSK-WMZOPIPTSA-N 2 0 305.466 1.553 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccnc(C[NH3+])c1 ZINC000261551967 698427833 /nfs/dbraw/zinc/42/78/33/698427833.db2.gz QWOXTSHTLMTZFN-CQSZACIVSA-N 2 0 312.417 1.791 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(C[NH3+])o1 ZINC000309694012 698665826 /nfs/dbraw/zinc/66/58/26/698665826.db2.gz DPPSHOZBEROWDD-ZDUSSCGKSA-N 2 0 301.390 1.989 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711382137 699257205 /nfs/dbraw/zinc/25/72/05/699257205.db2.gz DATZQWHCMJIANF-ZBFHGGJFSA-N 2 0 303.450 1.869 10 0 DDAERP CC(C)(O)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717993401 699292921 /nfs/dbraw/zinc/29/29/21/699292921.db2.gz LNJHAHNYSQBDMX-UHFFFAOYSA-N 2 0 306.450 1.764 10 0 DDAERP C[NH+](C)CCN[C@H](C[NH3+])c1cc(Cl)c2c(c1)OCCCO2 ZINC000087912228 185237418 /nfs/dbraw/zinc/23/74/18/185237418.db2.gz VYVIHUICFZKJQS-CYBMUJFWSA-N 2 0 313.829 1.652 10 0 DDAERP COCC[NH2+]Cc1sc(N(C)C[C@@H]2CCC[N@@H+]2C)nc1C ZINC000092677788 185333452 /nfs/dbraw/zinc/33/34/52/185333452.db2.gz WFLNJSAXWSRGAO-ZDUSSCGKSA-N 2 0 312.483 1.718 10 0 DDAERP CC(C)[C@H]([NH3+])c1nc(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000071694835 191008776 /nfs/dbraw/zinc/00/87/76/191008776.db2.gz PUSVDEJNJAXDEK-HOCLYGCPSA-N 2 0 322.478 1.553 10 0 DDAERP CC[NH+](CC)CCOC(=O)CC(=O)OCC[NH+](CC)CC ZINC000196416369 354299100 /nfs/dbraw/zinc/29/91/00/354299100.db2.gz BMDRBYGFZFZHRH-UHFFFAOYSA-N 2 0 302.415 1.147 10 0 DDAERP COc1c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000237140406 202163897 /nfs/dbraw/zinc/16/38/97/202163897.db2.gz OHBASBSXWDVNCX-KBPBESRZSA-N 2 0 324.469 1.716 10 0 DDAERP CC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCC([NH3+])CC1 ZINC000093698457 193292717 /nfs/dbraw/zinc/29/27/17/193292717.db2.gz XLJHXPTYFXAIBX-NFOMZHRRSA-N 2 0 317.499 1.250 10 0 DDAERP CC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638887 193387749 /nfs/dbraw/zinc/38/77/49/193387749.db2.gz LFANHBJIPNMWQL-GJZGRUSLSA-N 2 0 302.484 1.664 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000041681330 183216166 /nfs/dbraw/zinc/21/61/66/183216166.db2.gz AWPVDLNAFJQBCU-CYBMUJFWSA-N 2 0 305.488 1.026 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000105161220 194080770 /nfs/dbraw/zinc/08/07/70/194080770.db2.gz ZUAICBDGVOLJDG-HZPDHXFCSA-N 2 0 308.470 1.598 10 0 DDAERP C[NH+](C)CCN1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000061642356 184180596 /nfs/dbraw/zinc/18/05/96/184180596.db2.gz IQUFNOQFLDEEOX-INIZCTEOSA-N 2 0 310.873 1.519 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000246538492 285266547 /nfs/dbraw/zinc/26/65/47/285266547.db2.gz APQUQLBTFXHBSW-PMPSAXMXSA-N 2 0 308.470 1.596 10 0 DDAERP COc1ccc(C[N@@H+]2C[C@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc1 ZINC000247995304 257113000 /nfs/dbraw/zinc/11/30/00/257113000.db2.gz MNEKLAOOCUFVTC-ZWKOTPCHSA-N 2 0 319.449 1.142 10 0 DDAERP O=C1[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN1CC[NH+]1CCCC1 ZINC000247856198 257116508 /nfs/dbraw/zinc/11/65/08/257116508.db2.gz JVZDVEXXHWNVFX-GDBMZVCRSA-N 2 0 319.474 1.734 10 0 DDAERP Cc1ccc(N(C)C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)nn1 ZINC000261965528 407695705 /nfs/dbraw/zinc/69/57/05/407695705.db2.gz PVSSCCCHAAXJTK-HNNXBMFYSA-N 2 0 303.454 1.685 10 0 DDAERP CN(C[C@@]1(C)CC[NH2+]C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000262033384 407718047 /nfs/dbraw/zinc/71/80/47/407718047.db2.gz OGSGOIWTJWDGHV-KRWDZBQOSA-N 2 0 305.470 1.279 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262210570 407766140 /nfs/dbraw/zinc/76/61/40/407766140.db2.gz DXFZWFQOFOUGSW-XJKSGUPXSA-N 2 0 305.422 1.831 10 0 DDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)C[C@H]2CCC[NH+]2CC)C1 ZINC000245431300 407979233 /nfs/dbraw/zinc/97/92/33/407979233.db2.gz MWGSZVTWIPIPLH-JKSUJKDBSA-N 2 0 310.486 1.844 10 0 DDAERP C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263197873 408053911 /nfs/dbraw/zinc/05/39/11/408053911.db2.gz IRNCEPCVZIKWSL-IRXDYDNUSA-N 2 0 305.466 1.315 10 0 DDAERP CC1CC[NH+]([C@@H](CNC(=O)C2C[NH2+]C2)c2cccs2)CC1 ZINC000263331064 408110344 /nfs/dbraw/zinc/11/03/44/408110344.db2.gz UYCQTZJHJYNKHR-AWEZNQCLSA-N 2 0 307.463 1.857 10 0 DDAERP [NH3+]C1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000309532121 409784721 /nfs/dbraw/zinc/78/47/21/409784721.db2.gz CQUVOVAHFAYLNH-OFLPRAFFSA-N 2 0 301.434 1.895 10 0 DDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309571652 418590142 /nfs/dbraw/zinc/59/01/42/418590142.db2.gz GPYHHOLXVJQWBS-YESZJQIVSA-N 2 0 301.434 1.752 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000389988191 418753508 /nfs/dbraw/zinc/75/35/08/418753508.db2.gz NAOOWGVPXADVTK-UBDQQSCGSA-N 2 0 315.461 1.998 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171042975 279125693 /nfs/dbraw/zinc/12/56/93/279125693.db2.gz LYYOAOXMYINDHP-CVEARBPZSA-N 2 0 310.486 1.842 10 0 DDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000174235842 535256893 /nfs/dbraw/zinc/25/68/93/535256893.db2.gz RKBNNMDINPDIIV-JKSUJKDBSA-N 2 0 310.486 1.844 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccnc(C[NH3+])c1 ZINC000261551964 698427855 /nfs/dbraw/zinc/42/78/55/698427855.db2.gz QWOXTSHTLMTZFN-AWEZNQCLSA-N 2 0 312.417 1.791 10 0 DDAERP Cc1c(C[NH3+])cccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092679538 185333430 /nfs/dbraw/zinc/33/34/30/185333430.db2.gz UZVRRZRDBYZRIB-AWEZNQCLSA-N 2 0 311.451 1.168 10 0 DDAERP CCCNC(=O)Nc1ncc(CN2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272371 539569790 /nfs/dbraw/zinc/56/97/90/539569790.db2.gz PMNHIAZNXAJWSK-JQWIXIFHSA-N 2 0 311.455 1.844 10 0 DDAERP C[NH+](C)CCCCN1Cc2ccc(C[NH+](C)C)cc2[C@@H]1C[NH3+] ZINC000071683826 191006843 /nfs/dbraw/zinc/00/68/43/191006843.db2.gz VCFPIIUWXPQTJX-SFHVURJKSA-N 3 0 304.482 1.905 10 0 DDAERP C[NH+](C)C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091138014 193002386 /nfs/dbraw/zinc/00/23/86/193002386.db2.gz IAQDZWGGUOTZLJ-HUUCEWRRSA-N 2 0 307.463 1.501 10 0 DDAERP CCN(CC)C(=O)C[C@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000091322851 193039748 /nfs/dbraw/zinc/03/97/48/193039748.db2.gz IIBPMGJSRNMTAO-OAHLLOKOSA-N 2 0 300.491 1.092 10 0 DDAERP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262475062 203303400 /nfs/dbraw/zinc/30/34/00/203303400.db2.gz XHGPOPZMTRCFDC-SJORKVTESA-N 2 0 317.433 1.724 10 0 DDAERP CC[NH2+][C@]1(CO)CCC[C@@H]1CC[NH+](CCOC)CCOC ZINC000093617728 193275799 /nfs/dbraw/zinc/27/57/99/193275799.db2.gz ZBCUMZPEGZJSGT-CVEARBPZSA-N 2 0 302.459 1.112 10 0 DDAERP C[C@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CC[N@@H+]1C ZINC000094336751 193361052 /nfs/dbraw/zinc/36/10/52/193361052.db2.gz QGDZLYLPWCLRHZ-QMMMGPOBSA-N 2 0 301.316 1.525 10 0 DDAERP C[NH+](C)CCC(=O)NCCCC[N@@H+]1CCc2ccccc2C1 ZINC000041536278 183199831 /nfs/dbraw/zinc/19/98/31/183199831.db2.gz SRHJRLIOZWIKRW-UHFFFAOYSA-N 2 0 303.450 1.893 10 0 DDAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000041507842 183195400 /nfs/dbraw/zinc/19/54/00/183195400.db2.gz KUYSWECGPBWXCZ-CYBMUJFWSA-N 2 0 300.244 1.942 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105079464 194069986 /nfs/dbraw/zinc/06/99/86/194069986.db2.gz CVMVEACODFKGCG-MRXNPFEDSA-N 2 0 308.470 1.739 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111141434 194394659 /nfs/dbraw/zinc/39/46/59/194394659.db2.gz ZDXYSHFMSLGMMG-UHFFFAOYSA-N 2 0 313.467 1.368 10 0 DDAERP CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1C[NH3+] ZINC000063121370 184271692 /nfs/dbraw/zinc/27/16/92/184271692.db2.gz IGBXDCPIONKXHQ-UHFFFAOYSA-N 2 0 311.451 1.108 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000178687732 407549704 /nfs/dbraw/zinc/54/97/04/407549704.db2.gz VHQATCPUEJVASK-GPANFISMSA-N 2 0 310.486 1.890 10 0 DDAERP CN(C)c1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261765420 407606629 /nfs/dbraw/zinc/60/66/29/407606629.db2.gz RPFANCOCPFISOX-SJORKVTESA-N 2 0 311.433 1.717 10 0 DDAERP [NH3+]C1(c2noc(-c3ccn([C@@H]4CCC[NH2+]C4)n3)n2)CCCC1 ZINC000261897801 407660671 /nfs/dbraw/zinc/66/06/71/407660671.db2.gz YFUZZOKGSCISPY-LLVKDONJSA-N 2 0 302.382 1.586 10 0 DDAERP Cn1c(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)nnc1C1CC1 ZINC000261722785 407592185 /nfs/dbraw/zinc/59/21/85/407592185.db2.gz LFPITCOVZXQBSH-CVEARBPZSA-N 2 0 311.433 1.867 10 0 DDAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261936256 407677537 /nfs/dbraw/zinc/67/75/37/407677537.db2.gz WVVDGQDKFSQGDR-HZPDHXFCSA-N 2 0 323.481 1.607 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000262299375 407786730 /nfs/dbraw/zinc/78/67/30/407786730.db2.gz NSEGGLZIBBTYOB-CJNGLKHVSA-N 2 0 321.421 1.319 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000262295593 407788863 /nfs/dbraw/zinc/78/88/63/407788863.db2.gz NISNHZZRJLXLKH-PBHICJAKSA-N 2 0 319.449 1.651 10 0 DDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246010151 408119560 /nfs/dbraw/zinc/11/95/60/408119560.db2.gz IWWURAFMDQSTCH-XUWVNRHRSA-N 2 0 310.486 1.698 10 0 DDAERP C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000246161025 408160959 /nfs/dbraw/zinc/16/09/59/408160959.db2.gz AHPRSIVDDSXEHT-UKPHBRMFSA-N 2 0 301.434 1.677 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(CO)cc2)CC1 ZINC000182752510 408239695 /nfs/dbraw/zinc/23/96/95/408239695.db2.gz INAHEUWDTOBBLS-HNNXBMFYSA-N 2 0 306.450 1.704 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000246365454 408235720 /nfs/dbraw/zinc/23/57/20/408235720.db2.gz IRUMTGAOGQMCJF-GVDBMIGSSA-N 2 0 322.497 1.842 10 0 DDAERP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247253838 408439147 /nfs/dbraw/zinc/43/91/47/408439147.db2.gz UDZLYQONVJZSER-SOUVJXGZSA-N 2 0 313.486 1.314 10 0 DDAERP C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248396438 408558978 /nfs/dbraw/zinc/55/89/78/408558978.db2.gz GZAUMKLXOUROHK-ZMSDIMECSA-N 2 0 322.497 1.985 10 0 DDAERP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000163885993 408794119 /nfs/dbraw/zinc/79/41/19/408794119.db2.gz YCIUJOLTPGNTRV-KGLIPLIRSA-N 2 0 319.453 1.996 10 0 DDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000262334021 163809666 /nfs/dbraw/zinc/80/96/66/163809666.db2.gz YPZNBKFNSWJBPZ-JKSUJKDBSA-N 2 0 309.454 1.075 10 0 DDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000312008715 418591851 /nfs/dbraw/zinc/59/18/51/418591851.db2.gz IIMPYBXROSBYMN-SJORKVTESA-N 2 0 319.449 1.377 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638837241 423151037 /nfs/dbraw/zinc/15/10/37/423151037.db2.gz YIUOTHUZBGHLQK-PVAVHDDUSA-N 2 0 301.434 1.480 10 0 DDAERP C[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000249608352 274265863 /nfs/dbraw/zinc/26/58/63/274265863.db2.gz RROVQHFBFNYOIH-CRAIPNDOSA-N 2 0 306.450 1.745 10 0 DDAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000262043618 276003949 /nfs/dbraw/zinc/00/39/49/276003949.db2.gz YWIGFNRCTKLLLF-RCCFBDPRSA-N 2 0 309.498 1.855 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000171903428 279330482 /nfs/dbraw/zinc/33/04/82/279330482.db2.gz PMHFCEUTOIUICM-HZPDHXFCSA-N 2 0 308.470 1.598 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261899941 297095447 /nfs/dbraw/zinc/09/54/47/297095447.db2.gz ORWAOHVJJCBIEI-KAYRBKQESA-N 2 0 321.465 1.214 10 0 DDAERP C[C@@H]1OCCC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000191670823 297558450 /nfs/dbraw/zinc/55/84/50/297558450.db2.gz PZKQWZDBJNCWFL-HOTGVXAUSA-N 2 0 313.486 1.534 10 0 DDAERP COc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261908023 698444398 /nfs/dbraw/zinc/44/43/98/698444398.db2.gz IQGZROPTJYAWFC-BSDSXHPESA-N 2 0 320.433 1.475 10 0 DDAERP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H]3CCCC[C@@H]3O)C2)ccn1 ZINC000886062968 708690779 /nfs/dbraw/zinc/69/07/79/708690779.db2.gz DKSXBECBQVHFMI-SQNIBIBYSA-N 2 0 319.449 1.900 10 0 DDAERP CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)o1 ZINC000088543198 185256383 /nfs/dbraw/zinc/25/63/83/185256383.db2.gz KKRNTECULUIINJ-GFCCVEGCSA-N 2 0 317.455 1.396 10 0 DDAERP Cc1nc(C)c(C[N@@H+]2CCC[C@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000088868364 185267565 /nfs/dbraw/zinc/26/75/65/185267565.db2.gz YOGAJRWXDNAMJM-ZDUSSCGKSA-N 2 0 308.451 1.156 10 0 DDAERP CN1CC[NH+](CCCCN2Cc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000071683189 191007305 /nfs/dbraw/zinc/00/73/05/191007305.db2.gz AFDLOXVVUYSJJD-SFHVURJKSA-N 2 0 302.466 1.530 10 0 DDAERP C[NH+](C)[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])C1 ZINC000094336747 193361242 /nfs/dbraw/zinc/36/12/42/193361242.db2.gz LMQRXIZQCPZYKK-MRVPVSSYSA-N 2 0 301.316 1.525 10 0 DDAERP CN(C)C(=O)Cc1nc(C[N@H+](C)CC2CC[NH2+]CC2)cs1 ZINC000094024466 193340195 /nfs/dbraw/zinc/34/01/95/193340195.db2.gz ALIJQLSHTNJBMF-UHFFFAOYSA-N 2 0 310.467 1.205 10 0 DDAERP C[C@@H]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000333543460 249018778 /nfs/dbraw/zinc/01/87/78/249018778.db2.gz JOEAFIGMTYCBFS-CZUORRHYSA-N 2 0 308.470 1.630 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000041676138 183215567 /nfs/dbraw/zinc/21/55/67/183215567.db2.gz DXDOYAFRLUAWBO-UHFFFAOYSA-N 2 0 313.467 1.249 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000041681741 183216659 /nfs/dbraw/zinc/21/66/59/183216659.db2.gz SXGVRGODJGIUKN-STQMWFEESA-N 2 0 313.467 1.715 10 0 DDAERP CCC[C@@H](C(N)=S)[NH+]1CCN(CCC[NH+]2CCCC2)CC1 ZINC000109470040 194266902 /nfs/dbraw/zinc/26/69/02/194266902.db2.gz UEXFLTDHFRVOHJ-HNNXBMFYSA-N 2 0 312.527 1.545 10 0 DDAERP COCC[NH2+]Cc1c(N(C)CC[NH+](C)C)nc2sccn12 ZINC000111140247 194394689 /nfs/dbraw/zinc/39/46/89/194394689.db2.gz FTSHSEISFUZQAF-UHFFFAOYSA-N 2 0 311.455 1.130 10 0 DDAERP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000061644248 184180497 /nfs/dbraw/zinc/18/04/97/184180497.db2.gz RLLCBAYKTPCJTB-HNNXBMFYSA-N 2 0 311.451 1.001 10 0 DDAERP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000638300961 422813383 /nfs/dbraw/zinc/81/33/83/422813383.db2.gz IIENKJFEBNQKNK-QILLFSRXSA-N 2 0 319.449 1.390 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000113615108 297093501 /nfs/dbraw/zinc/09/35/01/297093501.db2.gz RQMFXRXIPSKQQO-GDBMZVCRSA-N 2 0 308.470 1.596 10 0 DDAERP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000180458816 407887674 /nfs/dbraw/zinc/88/76/74/407887674.db2.gz ZRKBELJGDLUCCI-MRXNPFEDSA-N 2 0 303.454 1.908 10 0 DDAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H]3CCCCNC3=O)C2)[nH+]1 ZINC000119010581 407978013 /nfs/dbraw/zinc/97/80/13/407978013.db2.gz VINUWUVMTKQBPO-HUUCEWRRSA-N 2 0 302.422 1.793 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000246779313 408339021 /nfs/dbraw/zinc/33/90/21/408339021.db2.gz BEEGUYBNJGKXRT-BRWVUGGUSA-N 2 0 322.497 1.985 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000247335089 408452627 /nfs/dbraw/zinc/45/26/27/408452627.db2.gz NELNKNDFVCXFHC-BBWFWOEESA-N 2 0 324.513 1.992 10 0 DDAERP C[NH2+]CCc1ccccc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000262359858 163813885 /nfs/dbraw/zinc/81/38/85/163813885.db2.gz WGIOIKLJSVUCIZ-HOCLYGCPSA-N 2 0 301.434 1.757 10 0 DDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389864918 418751012 /nfs/dbraw/zinc/75/10/12/418751012.db2.gz GFROGLWGTQUFAL-DJIMGWMZSA-N 2 0 303.450 1.997 10 0 DDAERP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380949465 418728115 /nfs/dbraw/zinc/72/81/15/418728115.db2.gz QLAZQLBRGRUJLX-IAGOWNOFSA-N 2 0 303.450 1.998 10 0 DDAERP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170832890 276767649 /nfs/dbraw/zinc/76/76/49/276767649.db2.gz OKNIMTKIUHHHKL-IRXDYDNUSA-N 2 0 318.465 1.505 10 0 DDAERP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])COC)c1cccc(OC)c1 ZINC000263248591 279147047 /nfs/dbraw/zinc/14/70/47/279147047.db2.gz NXQDASXJDGUVTA-HOTGVXAUSA-N 2 0 323.437 1.168 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000245663418 281196851 /nfs/dbraw/zinc/19/68/51/281196851.db2.gz DLVYINZFQFSGEJ-RDJZCZTQSA-N 2 0 320.481 1.881 10 0 DDAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000151115058 281245360 /nfs/dbraw/zinc/24/53/60/281245360.db2.gz SPECKWRINNKZIA-HNNXBMFYSA-N 2 0 302.422 1.746 10 0 DDAERP C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(C[NH3+])cc1 ZINC000186465842 289149523 /nfs/dbraw/zinc/14/95/23/289149523.db2.gz UWTMJNYVTQCXQK-UHFFFAOYSA-N 2 0 301.390 1.942 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000261899943 297095685 /nfs/dbraw/zinc/09/56/85/297095685.db2.gz ORWAOHVJJCBIEI-VPKNTQAGSA-N 2 0 321.465 1.214 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000248756268 300318244 /nfs/dbraw/zinc/31/82/44/300318244.db2.gz VXMAFISELFZEFV-HOTGVXAUSA-N 2 0 322.497 1.987 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1CC ZINC000261882479 484258996 /nfs/dbraw/zinc/25/89/96/484258996.db2.gz ZHZCJLLEMIVATC-OWCLPIDISA-N 2 0 311.470 1.321 10 0 DDAERP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262135501 484263359 /nfs/dbraw/zinc/26/33/59/484263359.db2.gz OQDWADUKVQQCJN-CPUCHLNUSA-N 2 0 319.449 1.697 10 0 DDAERP C[C@H](Cc1cnccn1)[NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1 ZINC000864370764 706149148 /nfs/dbraw/zinc/14/91/48/706149148.db2.gz XUGOQPRNYUUDDY-CJNGLKHVSA-N 2 0 313.405 1.333 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCO[C@H]2CCCCO2)CC1 ZINC000248572361 282091740 /nfs/dbraw/zinc/09/17/40/282091740.db2.gz MKWVHEWOLXKDOA-WBVHZDCISA-N 2 0 314.470 1.554 10 0 DDAERP COCCN(CCC[NH+](C)C)C(=O)[C@@H](C)CCC[C@H](C)[NH3+] ZINC000087697241 185230703 /nfs/dbraw/zinc/23/07/03/185230703.db2.gz RUSZUTHMVGKHHP-GJZGRUSLSA-N 2 0 301.475 1.567 10 0 DDAERP C[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435277 185250299 /nfs/dbraw/zinc/25/02/99/185250299.db2.gz YBVSBKIVSHSWQQ-WCQYABFASA-N 2 0 309.376 1.894 10 0 DDAERP C[NH2+]Cc1sccc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092678609 185333512 /nfs/dbraw/zinc/33/35/12/185333512.db2.gz OXBWLSCIFLNWLM-LLVKDONJSA-N 2 0 317.480 1.182 10 0 DDAERP CN(CC1CC[NH+](C)CC1)c1nc2sccn2c1CC[NH3+] ZINC000111482146 185607614 /nfs/dbraw/zinc/60/76/14/185607614.db2.gz FMIRZNINDXZYQW-UHFFFAOYSA-N 2 0 307.467 1.675 10 0 DDAERP CC(C)(C)OC(=O)Nc1cccc([C@H]2CN(CC[NH3+])CC[NH2+]2)c1 ZINC000616656734 362772189 /nfs/dbraw/zinc/77/21/89/362772189.db2.gz RSDKRMBWZUKECY-OAHLLOKOSA-N 2 0 320.437 1.939 10 0 DDAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000237938298 202397148 /nfs/dbraw/zinc/39/71/48/202397148.db2.gz MMYXCELUZVWDKL-HZPDHXFCSA-N 2 0 323.481 1.513 10 0 DDAERP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000045173012 183486890 /nfs/dbraw/zinc/48/68/90/183486890.db2.gz ITXGIJFXXJKZRH-ZDUSSCGKSA-N 2 0 310.463 1.910 10 0 DDAERP O=C(N(Cc1ccco1)Cc1ccco1)C12C[NH2+]CC1C[NH2+]C2 ZINC000065395611 184335177 /nfs/dbraw/zinc/33/51/77/184335177.db2.gz GOCIUURIDPZAIT-UHFFFAOYSA-N 2 0 315.373 1.210 10 0 DDAERP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1(C)C ZINC000262581351 286307465 /nfs/dbraw/zinc/30/74/65/286307465.db2.gz YZVQHAQWAIPQSE-CKEIUWERSA-N 2 0 313.486 1.611 10 0 DDAERP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)CC(C)C ZINC000262001806 407708776 /nfs/dbraw/zinc/70/87/76/407708776.db2.gz NMTAGNLKGOAQFW-HZPDHXFCSA-N 2 0 313.486 1.613 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000262054043 407726654 /nfs/dbraw/zinc/72/66/54/407726654.db2.gz ZZPOWNSZCUESTC-TVFCKZIOSA-N 2 0 309.498 1.854 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000262351328 407809408 /nfs/dbraw/zinc/80/94/08/407809408.db2.gz UNZUDIKAYKYUAX-KRWDZBQOSA-N 2 0 319.449 1.508 10 0 DDAERP CCC(CC)(CNC(=O)[C@H]([NH3+])COC)[NH2+][C@@H](C)c1ccccc1 ZINC000262384387 407819541 /nfs/dbraw/zinc/81/95/41/407819541.db2.gz YGFDTLQQGFZGLJ-GOEBONIOSA-N 2 0 321.465 1.986 10 0 DDAERP O[C@@H]1C[NH2+]C[C@@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000263277625 408088209 /nfs/dbraw/zinc/08/82/09/408088209.db2.gz TVUVQDWFZCCRCH-CRAIPNDOSA-N 2 0 321.440 1.003 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000246426938 408251468 /nfs/dbraw/zinc/25/14/68/408251468.db2.gz STDNYWBNFQFLSY-BFYDXBDKSA-N 2 0 320.481 1.739 10 0 DDAERP CC(C)COC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171624536 162230080 /nfs/dbraw/zinc/23/00/80/162230080.db2.gz UGSQHOWQPYKDEW-NVXWUHKLSA-N 2 0 316.486 1.045 10 0 DDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247009355 408387909 /nfs/dbraw/zinc/38/79/09/408387909.db2.gz FTEHACYMDSBIFA-PMPSAXMXSA-N 2 0 308.470 1.739 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000247489834 408481996 /nfs/dbraw/zinc/48/19/96/408481996.db2.gz UDMAVDQDCZVINH-HOCLYGCPSA-N 2 0 308.470 1.737 10 0 DDAERP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2Cn2ccnc2C)no1 ZINC000178301222 408801479 /nfs/dbraw/zinc/80/14/79/408801479.db2.gz CQUPYMZSIGFJHC-CQSZACIVSA-N 2 0 317.393 1.981 10 0 DDAERP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516108 163326060 /nfs/dbraw/zinc/32/60/60/163326060.db2.gz IRQDHAZXXAUQAY-HNNXBMFYSA-N 2 0 304.438 1.992 10 0 DDAERP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(C[NH3+])CCOCC1 ZINC000262087672 298657559 /nfs/dbraw/zinc/65/75/59/298657559.db2.gz CTILKYQMFDVGPO-RBSFLKMASA-N 2 0 311.470 1.225 10 0 DDAERP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137255533 196570468 /nfs/dbraw/zinc/57/04/68/196570468.db2.gz RZQVTNFDVZMJSF-HOTGVXAUSA-N 2 0 305.466 1.757 10 0 DDAERP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000047886035 418461727 /nfs/dbraw/zinc/46/17/27/418461727.db2.gz BCSHZOVCMOMINR-MRXNPFEDSA-N 2 0 304.438 1.683 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000194660466 418546899 /nfs/dbraw/zinc/54/68/99/418546899.db2.gz ACVUUHNZHAAYRZ-OAHLLOKOSA-N 2 0 319.449 1.841 10 0 DDAERP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000389971583 418752121 /nfs/dbraw/zinc/75/21/21/418752121.db2.gz CGYOHVNLVDPWDQ-WTTBNOFXSA-N 2 0 301.434 1.479 10 0 DDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000379454603 418726662 /nfs/dbraw/zinc/72/66/62/418726662.db2.gz MMZNYQBWLLPRJW-SJORKVTESA-N 2 0 303.450 1.952 10 0 DDAERP CN(C[C@H]1CC[N@H+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648812 422532480 /nfs/dbraw/zinc/53/24/80/422532480.db2.gz ZLGOOXONHCEBOY-OALUTQOASA-N 2 0 317.477 1.507 10 0 DDAERP CCC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[NH+](C)C ZINC000127853755 281288182 /nfs/dbraw/zinc/28/81/82/281288182.db2.gz NWLOFLJPRYYSHW-HOCLYGCPSA-N 2 0 313.486 1.268 10 0 DDAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000333295417 295313657 /nfs/dbraw/zinc/31/36/57/295313657.db2.gz PHMUFFTVVAAKAI-VNHYZAJKSA-N 2 0 312.421 1.899 10 0 DDAERP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)[NH2+]C)cc2)CC1 ZINC000261869819 698442234 /nfs/dbraw/zinc/44/22/34/698442234.db2.gz ZNIDACHKHNZHNH-CQSZACIVSA-N 2 0 304.438 1.166 10 0 DDAERP C[N@H+](CCC(F)(F)F)C[C@H](O)COc1ccc(C[NH3+])cc1 ZINC000088417551 185249259 /nfs/dbraw/zinc/24/92/59/185249259.db2.gz VODKERRCIOVZQV-LBPRGKRZSA-N 2 0 306.328 1.769 10 0 DDAERP [NH3+]CCCCC[N@@H+]1CCCN(C(=O)CCC(F)(F)F)CC1 ZINC000088832352 185266709 /nfs/dbraw/zinc/26/67/09/185266709.db2.gz KEDPLHIMLLIVSL-UHFFFAOYSA-N 2 0 309.376 1.992 10 0 DDAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261603849 282287933 /nfs/dbraw/zinc/28/79/33/282287933.db2.gz AIFLIRDYEJJUAD-OAGGEKHMSA-N 2 0 305.422 1.432 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000175607513 354258446 /nfs/dbraw/zinc/25/84/46/354258446.db2.gz ROSCGAHCTDFEJK-JKSUJKDBSA-N 2 0 311.470 1.380 10 0 DDAERP CC[NH2+][C@@H](C)c1csc(N2CCN(CC[NH+](C)C)CC2)n1 ZINC000080830521 192194528 /nfs/dbraw/zinc/19/45/28/192194528.db2.gz CPCYWECNYFCTNH-ZDUSSCGKSA-N 2 0 311.499 1.497 10 0 DDAERP CCC(CC)[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[NH+](C)C ZINC000091138178 193003184 /nfs/dbraw/zinc/00/31/84/193003184.db2.gz QMLBPELYYVUAGA-KBPBESRZSA-N 2 0 301.500 1.564 10 0 DDAERP C[NH2+][C@@H]1[C@H](C[NH+](CCOC)CCOC)C(C)(C)OC1(C)C ZINC000094428934 193369163 /nfs/dbraw/zinc/36/91/63/193369163.db2.gz KERVRHSDJVKURV-UONOGXRCSA-N 2 0 302.459 1.373 10 0 DDAERP COCCCN(CCOC)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000042420940 183267362 /nfs/dbraw/zinc/26/73/62/183267362.db2.gz GABYCWDOMUYABN-UHFFFAOYSA-N 2 0 301.475 1.173 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000043412249 183361274 /nfs/dbraw/zinc/36/12/74/183361274.db2.gz JINYLNBMCMSVBU-UHFFFAOYSA-N 2 0 313.467 1.415 10 0 DDAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2ccc(Br)o2)C1 ZINC000062964770 184263129 /nfs/dbraw/zinc/26/31/29/184263129.db2.gz YDARGTLIUXCGRU-ZJUUUORDSA-N 2 0 302.216 1.678 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000119878183 195054253 /nfs/dbraw/zinc/05/42/53/195054253.db2.gz VPSPFWUCLYOXTP-ZBFHGGJFSA-N 2 0 310.486 1.889 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+](C)C1CCCC1 ZINC000177490416 285271035 /nfs/dbraw/zinc/27/10/35/285271035.db2.gz YAKZVVDFZFQUPJ-INIZCTEOSA-N 2 0 310.486 1.987 10 0 DDAERP COCC[N@@H+]1CCO[C@H]2C[NH+](Cc3ccc(F)cc3)CC[C@H]2C1 ZINC000247831568 257116979 /nfs/dbraw/zinc/11/69/79/257116979.db2.gz HMGHOPJVAFQXEN-WMZOPIPTSA-N 2 0 322.424 1.995 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000185592772 407458472 /nfs/dbraw/zinc/45/84/72/407458472.db2.gz CEKCTIMALMOPIN-MRXNPFEDSA-N 2 0 310.486 1.842 10 0 DDAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C[NH+]1CCCCC1 ZINC000113599589 407518495 /nfs/dbraw/zinc/51/84/95/407518495.db2.gz VPCXBJCJMKFGOH-BRWVUGGUSA-N 2 0 322.497 1.987 10 0 DDAERP COCCN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000261929649 407678811 /nfs/dbraw/zinc/67/88/11/407678811.db2.gz LKLAMDFBCBGLHV-XHSDSOJGSA-N 2 0 304.438 1.333 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000130439665 407689358 /nfs/dbraw/zinc/68/93/58/407689358.db2.gz NCAKPWWWGUGQOJ-JKSUJKDBSA-N 2 0 310.486 1.700 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000262310099 407794656 /nfs/dbraw/zinc/79/46/56/407794656.db2.gz OYZCTIPEWGYHOI-RHSMWYFYSA-N 2 0 319.449 1.508 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000262350393 407809675 /nfs/dbraw/zinc/80/96/75/407809675.db2.gz IYCUOTLOPNUHRB-ZDUSSCGKSA-N 2 0 306.410 1.105 10 0 DDAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC000263216171 408062038 /nfs/dbraw/zinc/06/20/38/408062038.db2.gz KXLKLULUZMARRZ-OFQRWUPVSA-N 2 0 305.422 1.190 10 0 DDAERP CCC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000263267255 408081490 /nfs/dbraw/zinc/08/14/90/408081490.db2.gz OAXCCDVQSAMZHT-CQSZACIVSA-N 2 0 306.410 1.643 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000246457250 408259152 /nfs/dbraw/zinc/25/91/52/408259152.db2.gz PGMXSACJUJADNQ-HZPDHXFCSA-N 2 0 310.486 1.890 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000247381417 408461798 /nfs/dbraw/zinc/46/17/98/408461798.db2.gz VXLVFUWLXZMODB-LPHOPBHVSA-N 2 0 320.477 1.615 10 0 DDAERP CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc3c(c2)CC[NH2+]CC3)n1 ZINC000263195713 276932144 /nfs/dbraw/zinc/93/21/44/276932144.db2.gz IKCWXDZJBMVABI-OAHLLOKOSA-N 2 0 313.405 1.001 10 0 DDAERP CC(C)(CNC[C@@]1(O)CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000072476254 277302810 /nfs/dbraw/zinc/30/28/10/277302810.db2.gz LOCXKFXCXPOUTI-LJQANCHMSA-N 2 0 317.477 1.527 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115801989 279122619 /nfs/dbraw/zinc/12/26/19/279122619.db2.gz BGYLZYVETSXXPB-JKSUJKDBSA-N 2 0 312.502 1.946 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247092916 279126629 /nfs/dbraw/zinc/12/66/29/279126629.db2.gz IEGYMPRGROUZGC-XHSDSOJGSA-N 2 0 310.486 1.841 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000177396919 279297622 /nfs/dbraw/zinc/29/76/22/279297622.db2.gz SNDPUXVAPOPIAV-MRXNPFEDSA-N 2 0 310.486 1.844 10 0 DDAERP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175742174 280322194 /nfs/dbraw/zinc/32/21/94/280322194.db2.gz HRIROBZTJPMMPP-CVEARBPZSA-N 2 0 309.454 1.086 10 0 DDAERP CCC[C@@H](C(=O)NC1CC[NH+](CCOC(C)C)CC1)[NH+](C)C ZINC000128441740 281311239 /nfs/dbraw/zinc/31/12/39/281311239.db2.gz RDRNZLRCIXOCOM-INIZCTEOSA-N 2 0 313.486 1.722 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000248756260 297097963 /nfs/dbraw/zinc/09/79/63/297097963.db2.gz VXMAFISELFZEFV-CVEARBPZSA-N 2 0 322.497 1.987 10 0 DDAERP Cc1cc(N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc[nH+]1 ZINC000261822213 698439682 /nfs/dbraw/zinc/43/96/82/698439682.db2.gz AUKUQMSPDQSCON-ZBFHGGJFSA-N 2 0 302.422 1.475 10 0 DDAERP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261893234 698443407 /nfs/dbraw/zinc/44/34/07/698443407.db2.gz ZXHJMCADMRSYBG-OIISXLGYSA-N 2 0 303.450 1.918 10 0 DDAERP COc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261908022 698443983 /nfs/dbraw/zinc/44/39/83/698443983.db2.gz IQGZROPTJYAWFC-BRSBDYLESA-N 2 0 320.433 1.475 10 0 DDAERP Brc1ccsc1C[NH2+]CC[C@@H]1C[NH2+]CCO1 ZINC000087576020 185228586 /nfs/dbraw/zinc/22/85/86/185228586.db2.gz SQGSQVITDFUSHU-SECBINFHSA-N 2 0 305.241 1.979 10 0 DDAERP CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1ccc(C[NH3+])o1 ZINC000088542035 185256250 /nfs/dbraw/zinc/25/62/50/185256250.db2.gz HFZKJBFBFNQZPK-LBPRGKRZSA-N 2 0 317.455 1.527 10 0 DDAERP CCCNC(=O)Nc1ncc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272369 539570334 /nfs/dbraw/zinc/57/03/34/539570334.db2.gz PMNHIAZNXAJWSK-CMPLNLGQSA-N 2 0 311.455 1.844 10 0 DDAERP CC(C)[NH+]1CCN([C@H]2C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536959457 354692932 /nfs/dbraw/zinc/69/29/32/354692932.db2.gz KJKDVIBNHDWEAB-LSDHHAIUSA-N 2 0 311.470 1.332 10 0 DDAERP CCC(CC)[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH+](C)C ZINC000091138173 193002399 /nfs/dbraw/zinc/00/23/99/193002399.db2.gz QMLBPELYYVUAGA-KGLIPLIRSA-N 2 0 301.500 1.564 10 0 DDAERP CC[N@H+](Cc1cc(=O)n2ccsc2n1)C1CCC([NH3+])CC1 ZINC000091851044 193118263 /nfs/dbraw/zinc/11/82/63/193118263.db2.gz KQJMXSRULJYVKW-UHFFFAOYSA-N 2 0 306.435 1.848 10 0 DDAERP CC[N@H+](C1CCC([NH3+])CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638874 193388081 /nfs/dbraw/zinc/38/80/81/193388081.db2.gz FDVRQEQWFJVXDD-WUCCLRPBSA-N 2 0 302.484 1.934 10 0 DDAERP COCCC[N@H+](CCOC)C[C@H]1[C@@H]([NH3+])C(C)(C)OC1(C)C ZINC000094428512 193368572 /nfs/dbraw/zinc/36/85/72/193368572.db2.gz KKYMRVPNCXGKFU-UONOGXRCSA-N 2 0 302.459 1.502 10 0 DDAERP C[NH2+][C@@H]1[C@@H](C[NH+](CCOC)CCOC)C(C)(C)OC1(C)C ZINC000094428933 193369071 /nfs/dbraw/zinc/36/90/71/193369071.db2.gz KERVRHSDJVKURV-ZIAGYGMSSA-N 2 0 302.459 1.373 10 0 DDAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc(F)c(Br)c2)CC1 ZINC000022209765 182313809 /nfs/dbraw/zinc/31/38/09/182313809.db2.gz NPPOHEJLDNBJDS-CYBMUJFWSA-N 2 0 316.218 1.835 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000041676063 183215377 /nfs/dbraw/zinc/21/53/77/183215377.db2.gz YALLFPIEBYHMQN-ZDUSSCGKSA-N 2 0 313.467 1.295 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000049560290 183741991 /nfs/dbraw/zinc/74/19/91/183741991.db2.gz WCDBWCXIGABOIJ-HNNXBMFYSA-N 2 0 319.515 1.272 10 0 DDAERP Cc1ccc(C[N@H+]2C[C@H](C)[C@]3(CCN(CC[NH+](C)C)C3=O)C2)o1 ZINC000247985377 257113022 /nfs/dbraw/zinc/11/30/22/257113022.db2.gz KMWUXLOEVTWSOW-KSSFIOAISA-N 2 0 319.449 1.820 10 0 DDAERP C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000333937762 296513002 /nfs/dbraw/zinc/51/30/02/296513002.db2.gz LWQGQRPILXDSSG-CZUORRHYSA-N 2 0 308.470 1.630 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638300088 422814342 /nfs/dbraw/zinc/81/43/42/422814342.db2.gz DWANXQPWLITJHA-YOEHRIQHSA-N 2 0 305.422 1.002 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000054760908 407189057 /nfs/dbraw/zinc/18/90/57/407189057.db2.gz OFFIXERTCBJQFH-QGZVFWFLSA-N 2 0 318.465 1.902 10 0 DDAERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000123492714 407330246 /nfs/dbraw/zinc/33/02/46/407330246.db2.gz DLROCMSVKJAXNG-MRXNPFEDSA-N 2 0 311.470 1.024 10 0 DDAERP CCC[C@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[NH+](C)C ZINC000127459155 407437678 /nfs/dbraw/zinc/43/76/78/407437678.db2.gz CCJKPTUVYWXXKF-QGZVFWFLSA-N 2 0 324.513 1.392 10 0 DDAERP CN(Cc1cnc(N)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000261688474 407580978 /nfs/dbraw/zinc/58/09/78/407580978.db2.gz ASAPDHLMSNBBIR-UHFFFAOYSA-N 2 0 320.466 1.518 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000113595170 407517789 /nfs/dbraw/zinc/51/77/89/407517789.db2.gz ONOKGSJLONIIFI-IJEWVQPXSA-N 2 0 306.454 1.349 10 0 DDAERP CC[NH+](CC)CCOc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1 ZINC000178689058 407548158 /nfs/dbraw/zinc/54/81/58/407548158.db2.gz IGCDMOGNVSDSBK-CQSZACIVSA-N 2 0 307.438 1.874 10 0 DDAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000261797180 407618597 /nfs/dbraw/zinc/61/85/97/407618597.db2.gz IPSZVMWYPOYWFO-HOCLYGCPSA-N 2 0 317.433 1.446 10 0 DDAERP CC(C)c1nc(CN(C)[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000261866730 407648313 /nfs/dbraw/zinc/64/83/13/407648313.db2.gz WWHWYQOZSZBKAJ-HNNXBMFYSA-N 2 0 321.469 1.699 10 0 DDAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261887598 407657013 /nfs/dbraw/zinc/65/70/13/407657013.db2.gz QAQCIWDKWOHXQO-AWEZNQCLSA-N 2 0 311.470 1.511 10 0 DDAERP C[NH+](C)CC1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000178976649 407680550 /nfs/dbraw/zinc/68/05/50/407680550.db2.gz ZCRZIXQAABMONL-GPANFISMSA-N 2 0 308.470 1.596 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000262210551 407766416 /nfs/dbraw/zinc/76/64/16/407766416.db2.gz DXFZWFQOFOUGSW-CJNGLKHVSA-N 2 0 305.422 1.831 10 0 DDAERP CC(C)(C)c1cc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000262566246 407869012 /nfs/dbraw/zinc/86/90/12/407869012.db2.gz WREZNEDFDLQUHC-TUAOUCFPSA-N 2 0 306.410 1.580 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000245475545 407996587 /nfs/dbraw/zinc/99/65/87/407996587.db2.gz SASITTAXUWHWAZ-JKSUJKDBSA-N 2 0 310.486 1.844 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000246422731 408253372 /nfs/dbraw/zinc/25/33/72/408253372.db2.gz MARIJKSFXHDGFP-IRXDYDNUSA-N 2 0 322.497 1.988 10 0 DDAERP C[C@H](CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000182653646 408215391 /nfs/dbraw/zinc/21/53/91/408215391.db2.gz QYOASFMBPWEAIB-HZPDHXFCSA-N 2 0 308.470 1.741 10 0 DDAERP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC000155847432 408217230 /nfs/dbraw/zinc/21/72/30/408217230.db2.gz SPOQYHXLWRBUGB-HZPDHXFCSA-N 2 0 312.417 1.865 10 0 DDAERP COC[C@H](Cc1ccccc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151296957 408292463 /nfs/dbraw/zinc/29/24/63/408292463.db2.gz HZBGLDSHSSCXRN-ROUUACIJSA-N 2 0 306.450 1.681 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000177170761 408542654 /nfs/dbraw/zinc/54/26/54/408542654.db2.gz DRHSUQKRUVGYSS-ZIAGYGMSSA-N 2 0 320.441 1.145 10 0 DDAERP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262319911 163806315 /nfs/dbraw/zinc/80/63/15/163806315.db2.gz VKIKTWARIHYGSL-OWCLPIDISA-N 2 0 311.470 1.463 10 0 DDAERP [NH3+]C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000238010656 295241218 /nfs/dbraw/zinc/24/12/18/295241218.db2.gz MQOXLBKBIBSTLG-QGZVFWFLSA-N 2 0 301.434 1.816 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000309716517 484379237 /nfs/dbraw/zinc/37/92/37/484379237.db2.gz KYOGCHKQVFMYPS-OIISXLGYSA-N 2 0 303.450 1.998 10 0 DDAERP CC[NH+]1CCC(CCNC(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000174231927 535449302 /nfs/dbraw/zinc/44/93/02/535449302.db2.gz YGPTZRJUNGANEP-INIZCTEOSA-N 2 0 310.486 1.892 10 0 DDAERP C[NH+](C)C1CCN(c2nc(NN)[nH+]cc2Br)CC1 ZINC000087854464 185233576 /nfs/dbraw/zinc/23/35/76/185233576.db2.gz PCLHIJIPEFSLCG-UHFFFAOYSA-N 2 0 315.219 1.055 10 0 DDAERP CC[NH+]1CCN(CCCN2Cc3c(cccc3C)[C@H]2C[NH3+])CC1 ZINC000071683062 191007639 /nfs/dbraw/zinc/00/76/39/191007639.db2.gz QYUBOAZPYMRYMS-LJQANCHMSA-N 2 0 316.493 1.838 10 0 DDAERP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000236923060 202073347 /nfs/dbraw/zinc/07/33/47/202073347.db2.gz QMWUFWBNGPBNSL-OLZOCXBDSA-N 2 0 305.426 1.606 10 0 DDAERP C[C@H]([NH3+])Cc1c(N2CCC[C@H]([NH+](C)C)C2)nc2sccn12 ZINC000091433271 193054751 /nfs/dbraw/zinc/05/47/51/193054751.db2.gz UBPJBMRYKVESBT-RYUDHWBXSA-N 2 0 307.467 1.816 10 0 DDAERP O=S1(=O)CCC([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093494706 193260372 /nfs/dbraw/zinc/26/03/72/193260372.db2.gz GWEHZABOWAMGPI-HRCADAONSA-N 2 0 314.495 1.854 10 0 DDAERP CC[NH+](CC)CC[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093700743 193294593 /nfs/dbraw/zinc/29/45/93/193294593.db2.gz FBBLMJRFNMUVPK-GJZGRUSLSA-N 2 0 319.515 1.368 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@@H]1[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021521 193339024 /nfs/dbraw/zinc/33/90/24/193339024.db2.gz VKHIHGJWQXJFIJ-LSDHHAIUSA-N 2 0 300.468 1.416 10 0 DDAERP CC[N@@H+](CC(=O)Nc1cccnc1Cl)CC1CC[NH2+]CC1 ZINC000094025175 193340264 /nfs/dbraw/zinc/34/02/64/193340264.db2.gz KFEUNIKEUHBNCY-UHFFFAOYSA-N 2 0 310.829 1.995 10 0 DDAERP C1C(N2CC[NH2+]CC2)C[NH+]1[C@H]1CCOC2(CCSCC2)C1 ZINC000094384586 193367649 /nfs/dbraw/zinc/36/76/49/193367649.db2.gz OEDLAIAEMWOQBQ-AWEZNQCLSA-N 2 0 311.495 1.021 10 0 DDAERP CC[NH2+][C@H](C)c1cnc(N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061655496 184181391 /nfs/dbraw/zinc/18/13/91/184181391.db2.gz NGKAGKKDFYZRAR-CYBMUJFWSA-N 2 0 311.499 1.497 10 0 DDAERP CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000195337895 407451973 /nfs/dbraw/zinc/45/19/73/407451973.db2.gz KBHXKSICQHTYST-VQHPVUNQSA-N 2 0 323.481 1.427 10 0 DDAERP C[C@H](C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1cccc(Br)c1 ZINC000263296626 408096010 /nfs/dbraw/zinc/09/60/10/408096010.db2.gz WKRLURFRHGLNHT-SCDSUCTJSA-N 2 0 313.239 1.723 10 0 DDAERP Cc1nn(C)c(C)c1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171589374 162228522 /nfs/dbraw/zinc/22/85/22/162228522.db2.gz GQLNENZJEBVUQZ-CYBMUJFWSA-N 2 0 308.470 1.562 10 0 DDAERP Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)NCC(F)(F)F ZINC000178292668 408800759 /nfs/dbraw/zinc/80/07/59/408800759.db2.gz WFRHHHJOQYXDPT-JQWIXIFHSA-N 2 0 318.343 1.723 10 0 DDAERP CC(C)c1nc2n(n1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000192984326 163244460 /nfs/dbraw/zinc/24/44/60/163244460.db2.gz MBWNMHYQULRDOX-FFHGMXDLSA-N 2 0 303.454 1.931 10 0 DDAERP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000638108493 422670045 /nfs/dbraw/zinc/67/00/45/422670045.db2.gz NOXBHJRYTRQIAX-BHYGNILZSA-N 2 0 317.433 1.226 10 0 DDAERP CC(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113586717 277384579 /nfs/dbraw/zinc/38/45/79/277384579.db2.gz KPTFYVDIWJFMCC-DOTOQJQBSA-N 2 0 322.497 1.985 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247390633 279129423 /nfs/dbraw/zinc/12/94/23/279129423.db2.gz QKOISHHFLSRLTC-XHSDSOJGSA-N 2 0 312.502 1.991 10 0 DDAERP [NH3+]C1CCC([NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000422979939 534559263 /nfs/dbraw/zinc/55/92/63/534559263.db2.gz NXWQUFRFNBCXBK-ABHNRTSZSA-N 2 0 303.450 1.483 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192003432 697618276 /nfs/dbraw/zinc/61/82/76/697618276.db2.gz NDKYQKQEOKZLSS-ZBFHGGJFSA-N 2 0 324.465 1.497 10 0 DDAERP Cc1ccc([C@@H](CNC(=O)C2([NH3+])CCOCC2)[NH+]2CCCC2)o1 ZINC000261809668 698438747 /nfs/dbraw/zinc/43/87/47/698438747.db2.gz JJQMOPKWEGKMMH-CQSZACIVSA-N 2 0 321.421 1.349 10 0 DDAERP C[C@@H](CC[NH+](C)C)Nc1nc(NN)[nH+]cc1Br ZINC000087866013 185233786 /nfs/dbraw/zinc/23/37/86/185233786.db2.gz PJBOYWWIPRBTEF-ZETCQYMHSA-N 2 0 303.208 1.277 10 0 DDAERP C[C@@H]([NH3+])CCC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000193324673 354291375 /nfs/dbraw/zinc/29/13/75/354291375.db2.gz OZEWRPKVNTUTPE-ZBFHGGJFSA-N 2 0 304.438 1.680 10 0 DDAERP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000237601958 202299171 /nfs/dbraw/zinc/29/91/71/202299171.db2.gz JTPAVKWAUVILBN-YOEHRIQHSA-N 2 0 317.433 1.398 10 0 DDAERP C[C@@H]([NH3+])c1cccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091449609 193057690 /nfs/dbraw/zinc/05/76/90/193057690.db2.gz LWYFWYQPAANJTM-OCCSQVGLSA-N 2 0 311.451 1.421 10 0 DDAERP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091432828 193054637 /nfs/dbraw/zinc/05/46/37/193054637.db2.gz UTXNUXHVIVJJSV-OCCSQVGLSA-N 2 0 311.451 1.421 10 0 DDAERP O=S1(=O)CCC([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093470129 193256203 /nfs/dbraw/zinc/25/62/03/193256203.db2.gz LDWYOFMZUMLLFD-SOUVJXGZSA-N 2 0 300.468 1.464 10 0 DDAERP C[NH+](C)CC1CCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000042388358 183262776 /nfs/dbraw/zinc/26/27/76/183262776.db2.gz OSQAQYIHNJRGBF-HNNXBMFYSA-N 2 0 317.499 1.122 10 0 DDAERP CCC(CC)[N@H+](CCOC)[C@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000042616039 183291289 /nfs/dbraw/zinc/29/12/89/183291289.db2.gz LZOLBHVRCXVQBB-GJZGRUSLSA-N 2 0 300.443 1.746 10 0 DDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105016114 194064847 /nfs/dbraw/zinc/06/48/47/194064847.db2.gz SSKHRBNOPVUGRG-JKSUJKDBSA-N 2 0 308.470 1.598 10 0 DDAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261936254 296312439 /nfs/dbraw/zinc/31/24/39/296312439.db2.gz WVVDGQDKFSQGDR-CVEARBPZSA-N 2 0 323.481 1.607 10 0 DDAERP C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111141188 194394030 /nfs/dbraw/zinc/39/40/30/194394030.db2.gz OBMMBHAKOZYJEC-CYBMUJFWSA-N 2 0 313.467 1.539 10 0 DDAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(=O)[O-] ZINC000111145510 194395349 /nfs/dbraw/zinc/39/53/49/194395349.db2.gz IYRPJOFXRKZYQF-INIZCTEOSA-N 2 0 301.475 1.882 10 0 DDAERP CN(Cc1csc(Br)c1)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990585 184199930 /nfs/dbraw/zinc/19/99/30/184199930.db2.gz GBUBVITVYIFBGM-GFCCVEGCSA-N 2 0 318.284 1.975 10 0 DDAERP CCO[C@H](C[NH3+])CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000062740844 184252110 /nfs/dbraw/zinc/25/21/10/184252110.db2.gz JSTKORQUMCRIMP-ZDUSSCGKSA-N 2 0 301.431 1.293 10 0 DDAERP COCC[NH+]1CCC(C[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000032587110 406950379 /nfs/dbraw/zinc/95/03/79/406950379.db2.gz HGHFFMPLLCAVDA-UHFFFAOYSA-N 3 0 309.498 1.905 10 0 DDAERP CCC[NH+]1CCN(c2ccccc2CN2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000261683629 407578050 /nfs/dbraw/zinc/57/80/50/407578050.db2.gz AKBXLTCKQMYDRJ-FUHWJXTLSA-N 3 0 316.493 1.998 10 0 DDAERP C[N@H+](CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000261983531 407702561 /nfs/dbraw/zinc/70/25/61/407702561.db2.gz ASHMGWNEMXPQNS-CYBMUJFWSA-N 2 0 301.390 1.357 10 0 DDAERP CCC(CC)(C[NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262478111 407843993 /nfs/dbraw/zinc/84/39/93/407843993.db2.gz ZEJRDQOWTNCHKZ-CVEARBPZSA-N 2 0 303.450 1.952 10 0 DDAERP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263229800 408068168 /nfs/dbraw/zinc/06/81/68/408068168.db2.gz NFQKWLQCUACENJ-UKPHBRMFSA-N 2 0 319.449 1.697 10 0 DDAERP O[C@H]1C[NH2+]C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000263281678 408090098 /nfs/dbraw/zinc/09/00/98/408090098.db2.gz UIUPOIFYTWXXOT-YGPBLSMFSA-N 2 0 315.461 1.352 10 0 DDAERP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000150855320 408213032 /nfs/dbraw/zinc/21/30/32/408213032.db2.gz ZKSKVXBKVAEVOC-SYMSYNOKSA-N 2 0 310.486 1.743 10 0 DDAERP CC[C@H]1CN(Cc2nccc(OC)c2OC)CC[N@@H+]1CCOC ZINC000190523889 408268447 /nfs/dbraw/zinc/26/84/47/408268447.db2.gz GLIWLZZUWWKDSL-AWEZNQCLSA-N 2 0 323.437 1.641 10 0 DDAERP O=C(NCCC[NH+]1CCCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171596011 162228565 /nfs/dbraw/zinc/22/85/65/162228565.db2.gz SUVKWJSBNVVDKE-MRXNPFEDSA-N 2 0 308.470 1.742 10 0 DDAERP CC[NH+]1CCC(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000173508291 162343676 /nfs/dbraw/zinc/34/36/76/162343676.db2.gz HHQFMUPLDVBYLP-MRXNPFEDSA-N 2 0 308.470 1.598 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174195486 162399129 /nfs/dbraw/zinc/39/91/29/162399129.db2.gz FCYVTGKZPBXYSQ-HZPDHXFCSA-N 2 0 308.470 1.598 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000194175728 163276812 /nfs/dbraw/zinc/27/68/12/163276812.db2.gz NSIHLSYTJHBGJN-KRWDZBQOSA-N 2 0 322.497 1.988 10 0 DDAERP CC1CC[NH+](CCCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247237800 163554646 /nfs/dbraw/zinc/55/46/46/163554646.db2.gz MXRDMKKCKFJSLR-IAGOWNOFSA-N 2 0 322.497 1.987 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)C1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000262091132 163766133 /nfs/dbraw/zinc/76/61/33/163766133.db2.gz DBGPQUURKAMVOA-OAHLLOKOSA-N 2 0 311.470 1.369 10 0 DDAERP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638835623 423149551 /nfs/dbraw/zinc/14/95/51/423149551.db2.gz NASLVVLDNBLIHQ-MXSMSXNCSA-N 2 0 315.461 1.726 10 0 DDAERP C[C@@H]([NH2+]CCn1cc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000517730984 421625762 /nfs/dbraw/zinc/62/57/62/421625762.db2.gz VTEVSHBCKOZUQT-GHMZBOCLSA-N 2 0 301.232 1.623 10 0 DDAERP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)CCO1 ZINC000261748976 288133996 /nfs/dbraw/zinc/13/39/96/288133996.db2.gz MMPCCBQWYQSYHJ-IIAWOOMASA-N 2 0 309.454 1.073 10 0 DDAERP C[NH+](C)C[C@@H](O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000391025914 307294100 /nfs/dbraw/zinc/29/41/00/307294100.db2.gz SCJZEKOUDIETFA-IPQPSQTFSA-N 2 0 317.477 1.694 10 0 DDAERP CCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309773561 484378978 /nfs/dbraw/zinc/37/89/78/484378978.db2.gz IHRPPAAIFTYJJH-WJFTUGDTSA-N 2 0 318.461 1.884 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192003421 697618078 /nfs/dbraw/zinc/61/80/78/697618078.db2.gz NDKYQKQEOKZLSS-HOCLYGCPSA-N 2 0 324.465 1.497 10 0 DDAERP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554191 698427355 /nfs/dbraw/zinc/42/73/55/698427355.db2.gz UAXUXBAJMMZESG-BRWVUGGUSA-N 2 0 301.434 1.847 10 0 DDAERP C[C@@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000261905466 698444400 /nfs/dbraw/zinc/44/44/00/698444400.db2.gz VQBVMTPDNBUXLC-TZMCWYRMSA-N 2 0 318.421 1.060 10 0 DDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3[nH]ncc3C)C2)[C@@H]1C(C)C ZINC000888097160 709212594 /nfs/dbraw/zinc/21/25/94/709212594.db2.gz CQAQUUQKQVVAQC-MXASKKJJSA-N 2 0 306.454 1.678 10 0 DDAERP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000248645229 282095514 /nfs/dbraw/zinc/09/55/14/282095514.db2.gz GBELWMHRGKISGN-KBPBESRZSA-N 2 0 322.478 1.436 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000249749610 282193776 /nfs/dbraw/zinc/19/37/76/282193776.db2.gz ADHKINMOWAZGNS-PMPSAXMXSA-N 2 0 310.486 1.890 10 0 DDAERP Cc1oc(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1C[NH3+] ZINC000092678618 185333529 /nfs/dbraw/zinc/33/35/29/185333529.db2.gz LHSQMMWBXLAUSL-GFCCVEGCSA-N 2 0 315.439 1.070 10 0 DDAERP C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182948526 299125568 /nfs/dbraw/zinc/12/55/68/299125568.db2.gz GZAUMKLXOUROHK-UXLLHSPISA-N 2 0 322.497 1.985 10 0 DDAERP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237187925 202181337 /nfs/dbraw/zinc/18/13/37/202181337.db2.gz TVGFEEMZYYCKGT-HOCLYGCPSA-N 2 0 319.449 1.761 10 0 DDAERP CN(CC[NH+](C)C)C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1CO ZINC000091416411 193052958 /nfs/dbraw/zinc/05/29/58/193052958.db2.gz QCGCUKZKIPRIFX-HUUCEWRRSA-N 2 0 311.495 1.282 10 0 DDAERP CCC[NH2+][C@@]1(CO)CCC[C@@H]([NH+](CCOC)CCOC)C1 ZINC000093783326 193307220 /nfs/dbraw/zinc/30/72/20/193307220.db2.gz HFPCORNFHJCEEW-CVEARBPZSA-N 2 0 302.459 1.255 10 0 DDAERP CCC(C)(C)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862354 194149878 /nfs/dbraw/zinc/14/98/78/194149878.db2.gz YSWTWGADQLMMJN-AWEZNQCLSA-N 2 0 313.486 1.316 10 0 DDAERP O=S(=O)(C[C@@H]1CCCC[NH2+]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110389809 194327722 /nfs/dbraw/zinc/32/77/22/194327722.db2.gz XYRJAOOZKBCGDH-LSDHHAIUSA-N 2 0 315.483 1.019 10 0 DDAERP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC[N@H+](C)C2CC2)c1 ZINC000062010784 184201378 /nfs/dbraw/zinc/20/13/78/184201378.db2.gz JWUYKBSOBKWMQQ-LBPRGKRZSA-N 2 0 311.451 1.340 10 0 DDAERP Cc1ccc(CN(CC[NH+](C)C)C[C@]2(O)CCC[NH2+]C2)s1 ZINC000072475618 292098478 /nfs/dbraw/zinc/09/84/78/292098478.db2.gz HKMRYAKPMDPHHM-INIZCTEOSA-N 2 0 311.495 1.535 10 0 DDAERP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])C2CCOCC2)CCCCCC1 ZINC000261947512 407684462 /nfs/dbraw/zinc/68/44/62/407684462.db2.gz JWXBFHFVVMFWLU-HNNXBMFYSA-N 2 0 311.470 1.511 10 0 DDAERP COc1ccc([C@@H](C)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262063769 407729808 /nfs/dbraw/zinc/72/98/08/407729808.db2.gz AOWLUYLOTVALOX-RDJZCZTQSA-N 2 0 303.450 1.778 10 0 DDAERP CC[N@H+](CCN1C(=O)c2ccccc2C1=O)[C@H]1CCC[NH2+]CC1 ZINC000262000880 407708500 /nfs/dbraw/zinc/70/85/00/407708500.db2.gz UBNIHAFSZXCFKR-AWEZNQCLSA-N 2 0 315.417 1.747 10 0 DDAERP CC[N@H+](C)[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116784977 407777761 /nfs/dbraw/zinc/77/77/61/407777761.db2.gz DYXITTRSCWGIEQ-IAGOWNOFSA-N 2 0 319.449 1.468 10 0 DDAERP CCCn1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1 ZINC000179516542 407798141 /nfs/dbraw/zinc/79/81/41/407798141.db2.gz MGWJIGXULVHHNW-OAHLLOKOSA-N 2 0 308.470 1.818 10 0 DDAERP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263164807 408042994 /nfs/dbraw/zinc/04/29/94/408042994.db2.gz FCOYHABSIOKMNU-GYSYKLTISA-N 2 0 311.813 1.227 10 0 DDAERP CCC[C@@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[NH+](C)C ZINC000136512511 408109854 /nfs/dbraw/zinc/10/98/54/408109854.db2.gz YOWRROZRRPKTKP-KRWDZBQOSA-N 2 0 318.465 1.893 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000246390349 408240699 /nfs/dbraw/zinc/24/06/99/408240699.db2.gz IPNKXAOUJLPGIO-ZACQAIPSSA-N 2 0 322.497 1.987 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000246795058 408342936 /nfs/dbraw/zinc/34/29/36/408342936.db2.gz BPYDKJSXJXEFTK-YOEHRIQHSA-N 2 0 320.481 1.739 10 0 DDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247601509 408498176 /nfs/dbraw/zinc/49/81/76/408498176.db2.gz UPNSEGHHPYUVAM-YVSFHVDLSA-N 2 0 322.497 1.842 10 0 DDAERP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000261897864 163723681 /nfs/dbraw/zinc/72/36/81/163723681.db2.gz YHPPUCWPWMVIKG-LBPRGKRZSA-N 2 0 321.425 1.160 10 0 DDAERP C[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000390736061 418755386 /nfs/dbraw/zinc/75/53/86/418755386.db2.gz IHEBVAJXOMWRNG-SJLPKXTDSA-N 2 0 301.434 1.909 10 0 DDAERP CC1(C)CC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC(C)(C)[NH2+]1 ZINC000171897215 278189905 /nfs/dbraw/zinc/18/99/05/278189905.db2.gz QBPNTENTTMLRJV-AWEZNQCLSA-N 2 0 308.470 1.785 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000132360610 279150708 /nfs/dbraw/zinc/15/07/08/279150708.db2.gz BSWIOMZVOPTQJZ-XHSDSOJGSA-N 2 0 310.486 1.841 10 0 DDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000179854929 290084287 /nfs/dbraw/zinc/08/42/87/290084287.db2.gz FWNJZLDNMWXFFO-AWEZNQCLSA-N 2 0 319.449 1.310 10 0 DDAERP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400332615 302368709 /nfs/dbraw/zinc/36/87/09/302368709.db2.gz FCXBFXGFOWGKEY-PKOBYXMFSA-N 3 0 316.493 1.392 10 0 DDAERP COc1ccc(C2CCC([NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)CC2)cc1 ZINC000262158545 484263932 /nfs/dbraw/zinc/26/39/32/484263932.db2.gz SGKKHRPGQJPYFJ-KQZOUJJXSA-N 2 0 304.434 1.891 10 0 DDAERP O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccc(C[NH+]2CCCC2)o1 ZINC000222535563 697757005 /nfs/dbraw/zinc/75/70/05/697757005.db2.gz ALLREIDIEZPWNC-OAHLLOKOSA-N 2 0 303.406 1.699 10 0 DDAERP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)[NH2+]C)cc2)CC1 ZINC000261869818 698442375 /nfs/dbraw/zinc/44/23/75/698442375.db2.gz ZNIDACHKHNZHNH-AWEZNQCLSA-N 2 0 304.438 1.166 10 0 DDAERP CC[NH2+][C@@](C)(CCC[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435447 185250509 /nfs/dbraw/zinc/25/05/09/185250509.db2.gz KXFAAZVVFASRRL-ZDUSSCGKSA-N 2 0 309.376 1.894 10 0 DDAERP CC(C)[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+](C)C)o1 ZINC000088542713 185256124 /nfs/dbraw/zinc/25/61/24/185256124.db2.gz IVTLAYXLGIPDDX-LLVKDONJSA-N 2 0 303.428 1.006 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000092626705 185329734 /nfs/dbraw/zinc/32/97/34/185329734.db2.gz CCANWTJPIBLHBL-AWEZNQCLSA-N 2 0 311.451 1.250 10 0 DDAERP COc1cc2c(c(OC)c1OC)CN(CCC[NH+](C)C)[C@@H]2C[NH3+] ZINC000071684661 191008028 /nfs/dbraw/zinc/00/80/28/191008028.db2.gz KAFJPGAENPOCKP-CQSZACIVSA-N 2 0 323.437 1.480 10 0 DDAERP Cc1cccc(NC[C@H]2CC[N@H+](CCCN3CCOCC3)C2)n1 ZINC000173779730 198250621 /nfs/dbraw/zinc/25/06/21/198250621.db2.gz DHLHIMPMEVNBNP-QGZVFWFLSA-N 2 0 318.465 1.846 10 0 DDAERP C[NH+](C)CCN1CCN([C@@H](C[NH3+])c2cc(Cl)cs2)CC1 ZINC000093095784 193203663 /nfs/dbraw/zinc/20/36/63/193203663.db2.gz OVYIICMTDLZVBW-ZDUSSCGKSA-N 2 0 316.902 1.581 10 0 DDAERP O=C(C[C@@H]1COCC[NH2+]1)Nc1nc(CN2CCCCC2)cs1 ZINC000262359952 203272990 /nfs/dbraw/zinc/27/29/90/203272990.db2.gz KEXRBDLRYPINEY-GFCCVEGCSA-N 2 0 324.450 1.446 10 0 DDAERP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638861 193388232 /nfs/dbraw/zinc/38/82/32/193388232.db2.gz RNYKAFKFSVQHCW-YIYPIFLZSA-N 2 0 300.468 1.272 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000105167584 194080353 /nfs/dbraw/zinc/08/03/53/194080353.db2.gz MARIJKSFXHDGFP-IAGOWNOFSA-N 2 0 322.497 1.988 10 0 DDAERP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105215454 194084464 /nfs/dbraw/zinc/08/44/64/194084464.db2.gz KAAJNIUHEBVMPQ-KRWDZBQOSA-N 2 0 322.497 1.988 10 0 DDAERP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000061644247 184180365 /nfs/dbraw/zinc/18/03/65/184180365.db2.gz OPCOQEIINSXCAC-OAHLLOKOSA-N 2 0 311.451 1.001 10 0 DDAERP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccccc2C[NH3+])C1 ZINC000062968005 184263568 /nfs/dbraw/zinc/26/35/68/184263568.db2.gz JCVIMYJGHNHIQU-AWEZNQCLSA-N 2 0 311.451 1.250 10 0 DDAERP C[NH2+]C[C@@H](C)C[NH2+]CCCCCCC[NH2+]C[C@@H](C)C[NH2+]C ZINC000013650044 406864465 /nfs/dbraw/zinc/86/44/65/406864465.db2.gz URYNURIXLTWTKM-CALCHBBNSA-N 4 0 300.535 1.827 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000123146844 407320839 /nfs/dbraw/zinc/32/08/39/407320839.db2.gz JKQDIWQDUUBFCL-YCPHGPKFSA-N 2 0 308.470 1.499 10 0 DDAERP [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)N3CCc4sccc4C3)C[C@H]12 ZINC000261714784 407589560 /nfs/dbraw/zinc/58/95/60/407589560.db2.gz PNBDQXUFXSRPHR-KWCYVHTRSA-N 2 0 305.447 1.302 10 0 DDAERP c1ccc(CN2CCO[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261582227 407545951 /nfs/dbraw/zinc/54/59/51/407545951.db2.gz GQEJIQQRTHVEHB-ROUUACIJSA-N 2 0 303.450 1.619 10 0 DDAERP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859070 407644148 /nfs/dbraw/zinc/64/41/48/407644148.db2.gz BYLIHXDPXGTPGZ-KURKYZTESA-N 2 0 309.498 1.998 10 0 DDAERP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261914386 407668546 /nfs/dbraw/zinc/66/85/46/407668546.db2.gz JMHMSXOQTZWNKH-OTWHNJEPSA-N 2 0 317.477 1.995 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000171900894 407790213 /nfs/dbraw/zinc/79/02/13/407790213.db2.gz MJCPLBRZDDMRRF-OWCLPIDISA-N 2 0 308.470 1.596 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000262299376 407787769 /nfs/dbraw/zinc/78/77/69/407787769.db2.gz NSEGGLZIBBTYOB-CZUORRHYSA-N 2 0 321.421 1.319 10 0 DDAERP CN(CC[N@H+](C)C[C@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000119312307 408037427 /nfs/dbraw/zinc/03/74/27/408037427.db2.gz KWILAZNAHXSLTD-IBGZPJMESA-N 2 0 319.493 1.852 10 0 DDAERP Cc1nccn1C[C@@H]1CCCN1C(=O)NCCn1ccnc1 ZINC000175584000 408166248 /nfs/dbraw/zinc/16/62/48/408166248.db2.gz WFEVCLNSJADEMJ-AWEZNQCLSA-N 2 0 302.382 1.262 10 0 DDAERP CC1CC[NH+](CCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171899147 162245664 /nfs/dbraw/zinc/24/56/64/162245664.db2.gz FSOLTFQXAPDBIQ-INIZCTEOSA-N 2 0 308.470 1.598 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000194157892 408767584 /nfs/dbraw/zinc/76/75/84/408767584.db2.gz WOFJPSXRAMWQHA-INIZCTEOSA-N 2 0 308.470 1.644 10 0 DDAERP C[NH+](C)C1(CNC(=O)C2(C[NH3+])CCOCC2)CCCCCC1 ZINC000262261480 163794686 /nfs/dbraw/zinc/79/46/86/163794686.db2.gz MHNFIPQBEYULQL-UHFFFAOYSA-N 2 0 311.470 1.513 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+](CC)CC ZINC000245661281 287226870 /nfs/dbraw/zinc/22/68/70/287226870.db2.gz DEPBWTOMALYCAH-CVEARBPZSA-N 2 0 310.486 1.987 10 0 DDAERP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000638513715 422937980 /nfs/dbraw/zinc/93/79/80/422937980.db2.gz NDNIXFRYYSZAQW-IAGOWNOFSA-N 2 0 319.449 1.329 10 0 DDAERP CCC[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)[NH+](C)C ZINC000136520960 276021216 /nfs/dbraw/zinc/02/12/16/276021216.db2.gz BKSLEYXQDAMCNH-KRWDZBQOSA-N 2 0 321.465 1.974 10 0 DDAERP C[C@@H]1C[NH+](CCCCCC[N@H+]2C[C@@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000190842776 697597736 /nfs/dbraw/zinc/59/77/36/697597736.db2.gz NFIOCFDCTXGAPZ-BDXSIMOUSA-N 2 0 312.498 1.667 10 0 DDAERP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000246165437 698344375 /nfs/dbraw/zinc/34/43/75/698344375.db2.gz ASFHMGXLXFIHQN-AWEZNQCLSA-N 2 0 302.422 1.377 10 0 DDAERP C[C@@]12CN(C(=O)C3CC([NH3+])C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702054221 699227986 /nfs/dbraw/zinc/22/79/86/699227986.db2.gz UCRFKBKDVOZDDP-FLAMNCDFSA-N 2 0 313.445 1.704 10 0 DDAERP Brc1ccsc1C[NH2+]CC[C@H]1C[NH2+]CCO1 ZINC000087576021 185228661 /nfs/dbraw/zinc/22/86/61/185228661.db2.gz SQGSQVITDFUSHU-VIFPVBQESA-N 2 0 305.241 1.979 10 0 DDAERP C[N@@H+]1CCC[C@H]1CCOc1nc(NN)[nH+]cc1Br ZINC000087885343 185234513 /nfs/dbraw/zinc/23/45/13/185234513.db2.gz QRFRYVJACTXJAT-QMMMGPOBSA-N 2 0 316.203 1.388 10 0 DDAERP CC(C)[N@H+](C)CCNc1nc(NN)[nH+]cc1Br ZINC000087869792 185234046 /nfs/dbraw/zinc/23/40/46/185234046.db2.gz SOQNPDZKKORDFE-UHFFFAOYSA-N 2 0 303.208 1.277 10 0 DDAERP CCC[NH2+][C@]1(CO)CC[C@@H]([N@H+](CCCOC)CCOC)C1 ZINC000093856797 193320363 /nfs/dbraw/zinc/32/03/63/193320363.db2.gz NIXIMAFDYVPAJQ-HZPDHXFCSA-N 2 0 302.459 1.255 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000094638682 193388324 /nfs/dbraw/zinc/38/83/24/193388324.db2.gz UTCKVRVYOXZSDF-OAGGEKHMSA-N 2 0 314.495 1.806 10 0 DDAERP CC[NH2+]CC1CC[NH+]([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094644242 193389693 /nfs/dbraw/zinc/38/96/93/193389693.db2.gz LIEMRTQPFOCWCX-GJZGRUSLSA-N 2 0 302.484 1.664 10 0 DDAERP CC(C)(C[NH3+])N1CC[NH+]([C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094364706 193366253 /nfs/dbraw/zinc/36/62/53/193366253.db2.gz JSQXRYCXDIYXAR-ZBFHGGJFSA-N 2 0 313.511 1.396 10 0 DDAERP O=C(C[C@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000042169388 183238115 /nfs/dbraw/zinc/23/81/15/183238115.db2.gz SJILWLJHYDWVJC-CQSZACIVSA-N 2 0 307.463 1.925 10 0 DDAERP C[NH+](C)CCN1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000061642424 184180649 /nfs/dbraw/zinc/18/06/49/184180649.db2.gz IGUMRVLGVJRIBG-INIZCTEOSA-N 2 0 310.873 1.519 10 0 DDAERP CN(CC[NH+]1CCCC1)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000063052314 184268501 /nfs/dbraw/zinc/26/85/01/184268501.db2.gz TZDBBBYYBMNUEE-UHFFFAOYSA-N 2 0 311.451 1.003 10 0 DDAERP CCOC(=O)[C@]12C[N@H+](CCOC)C[C@H]1C[NH+](CC1CC1)CCC2 ZINC000247904072 257115278 /nfs/dbraw/zinc/11/52/78/257115278.db2.gz WPVIHOWLADBJKN-SJLPKXTDSA-N 2 0 324.465 1.620 10 0 DDAERP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1(C)C ZINC000262581357 286307164 /nfs/dbraw/zinc/30/71/64/286307164.db2.gz YZVQHAQWAIPQSE-JJRVBVJISA-N 2 0 313.486 1.611 10 0 DDAERP [NH3+][C@@H]1c2ccccc2C2(CC[NH+](Cc3cccnc3)CC2)[C@H]1O ZINC000072158775 406874517 /nfs/dbraw/zinc/87/45/17/406874517.db2.gz OCFCJSVMYZACGN-MSOLQXFVSA-N 2 0 309.413 1.990 10 0 DDAERP CC[C@@](C)(O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000123528038 407331290 /nfs/dbraw/zinc/33/12/90/407331290.db2.gz VSOZGFKQPSVWKJ-LJQANCHMSA-N 2 0 319.493 1.897 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000067706760 407280862 /nfs/dbraw/zinc/28/08/62/407280862.db2.gz ZMFNENOBVRFULF-CVEARBPZSA-N 2 0 310.486 1.890 10 0 DDAERP CC1CC[NH+](CCCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170830002 407522001 /nfs/dbraw/zinc/52/20/01/407522001.db2.gz ZMVKKXDGIKPAAB-MRXNPFEDSA-N 2 0 310.486 1.844 10 0 DDAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261778093 407613548 /nfs/dbraw/zinc/61/35/48/407613548.db2.gz FGVRJVQZZSEDTJ-ROUUACIJSA-N 3 0 302.466 1.835 10 0 DDAERP CCc1noc([C@H](C)N2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000178980796 407679455 /nfs/dbraw/zinc/67/94/55/407679455.db2.gz LQFUURPUDUTRNC-ZDUSSCGKSA-N 2 0 307.442 1.310 10 0 DDAERP CC(C)n1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000172014287 407801209 /nfs/dbraw/zinc/80/12/09/407801209.db2.gz IKNBXJPEJIQCNF-OAHLLOKOSA-N 2 0 308.470 1.989 10 0 DDAERP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]([NH3+])COC ZINC000262370894 407814501 /nfs/dbraw/zinc/81/45/01/407814501.db2.gz WTAOYVZVKJVTHY-CQSZACIVSA-N 2 0 313.467 1.392 10 0 DDAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000263247947 408074260 /nfs/dbraw/zinc/07/42/60/408074260.db2.gz IGVGBJIXAJBWPT-STQMWFEESA-N 2 0 318.421 1.643 10 0 DDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000263306897 408101608 /nfs/dbraw/zinc/10/16/08/408101608.db2.gz YABQKKDWRGYBBP-HNAYVOBHSA-N 2 0 322.412 1.695 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000246382316 408237759 /nfs/dbraw/zinc/23/77/59/408237759.db2.gz ZQMQPTYKNWMGAX-VXLLPVPCSA-N 2 0 322.497 1.985 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000246365466 408235631 /nfs/dbraw/zinc/23/56/31/408235631.db2.gz IRUMTGAOGQMCJF-ZACQAIPSSA-N 2 0 322.497 1.842 10 0 DDAERP CC1CC[NH+](CCCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171901086 162246772 /nfs/dbraw/zinc/24/67/72/162246772.db2.gz CQQFQNMHGMYSKD-QGZVFWFLSA-N 2 0 322.497 1.988 10 0 DDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247009315 408387100 /nfs/dbraw/zinc/38/71/00/408387100.db2.gz FTEHACYMDSBIFA-OAGGEKHMSA-N 2 0 308.470 1.739 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174195468 162398107 /nfs/dbraw/zinc/39/81/07/162398107.db2.gz FCYVTGKZPBXYSQ-CVEARBPZSA-N 2 0 308.470 1.598 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247335111 408451532 /nfs/dbraw/zinc/45/15/32/408451532.db2.gz NELNKNDFVCXFHC-BRWVUGGUSA-N 2 0 324.513 1.992 10 0 DDAERP CCC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)[NH+](C)C ZINC000162128509 408673522 /nfs/dbraw/zinc/67/35/22/408673522.db2.gz MNKVSIGZLQEKGV-HOTGVXAUSA-N 2 0 312.502 1.107 10 0 DDAERP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000190891281 222091929 /nfs/dbraw/zinc/09/19/29/222091929.db2.gz GRADRPMIKZXAGS-UQPPLGOBSA-N 2 0 312.454 1.354 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000389988189 418753150 /nfs/dbraw/zinc/75/31/50/418753150.db2.gz NAOOWGVPXADVTK-BGTYHANMSA-N 2 0 315.461 1.998 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638078697 422638901 /nfs/dbraw/zinc/63/89/01/422638901.db2.gz GBYVXCITIXQEFR-IRXDYDNUSA-N 2 0 318.465 1.046 10 0 DDAERP C[C@H]([NH3+])CC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000261713364 278224549 /nfs/dbraw/zinc/22/45/49/278224549.db2.gz DOHYEOHYRBBWSX-KKUMJFAQSA-N 2 0 311.470 1.462 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000400361835 302369251 /nfs/dbraw/zinc/36/92/51/302369251.db2.gz NXHQBPZJHOVQAN-BFHYXJOUSA-N 2 0 313.442 1.210 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCCCCC[NH3+])CC1 ZINC000262017565 698451196 /nfs/dbraw/zinc/45/11/96/698451196.db2.gz WVOJVRQQSXPVBX-OAHLLOKOSA-N 2 0 313.486 1.447 10 0 DDAERP COCCN(CCC[NH+](C)C)C(=O)[C@H](C)CCC[C@@H](C)[NH3+] ZINC000087697240 185230667 /nfs/dbraw/zinc/23/06/67/185230667.db2.gz RUSZUTHMVGKHHP-HUUCEWRRSA-N 2 0 301.475 1.567 10 0 DDAERP CC(C)(C)OC(=O)Nc1ccc([C@H]2CN(CC[NH3+])CC[NH2+]2)cc1 ZINC000616652422 362770080 /nfs/dbraw/zinc/77/00/80/362770080.db2.gz FXAFBGILEDWBCC-OAHLLOKOSA-N 2 0 320.437 1.939 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000161618932 354243783 /nfs/dbraw/zinc/24/37/83/354243783.db2.gz CNNUMLIBHBJAJO-MRXNPFEDSA-N 2 0 310.486 1.988 10 0 DDAERP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179244366 199003682 /nfs/dbraw/zinc/00/36/82/199003682.db2.gz ZROLFYYAKDRQRJ-OALUTQOASA-N 2 0 317.477 1.822 10 0 DDAERP C[NH2+]Cc1csc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091430469 193055022 /nfs/dbraw/zinc/05/50/22/193055022.db2.gz ZIPODSQVJKKVHT-GFCCVEGCSA-N 2 0 317.480 1.182 10 0 DDAERP C[NH+](C)CCN1CCN([C@H](C[NH3+])c2cc(Cl)cs2)CC1 ZINC000093095786 193203227 /nfs/dbraw/zinc/20/32/27/193203227.db2.gz OVYIICMTDLZVBW-CYBMUJFWSA-N 2 0 316.902 1.581 10 0 DDAERP C[N@@H+]1CC[C@]2(C[NH+]=C(N)N2c2ccc(Br)cc2)C1 ZINC000093386813 193241916 /nfs/dbraw/zinc/24/19/16/193241916.db2.gz BWSXBZSOMOIAPP-ZDUSSCGKSA-N 2 0 309.211 1.868 10 0 DDAERP CC(C)[N@H+](C)CCCC[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696761 193291679 /nfs/dbraw/zinc/29/16/79/193291679.db2.gz OYHNTFCDROWXDM-HNNXBMFYSA-N 2 0 319.515 1.368 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1C[NH3+] ZINC000094459108 193371267 /nfs/dbraw/zinc/37/12/67/193371267.db2.gz CZADHQZEAVPINV-GXTWGEPZSA-N 2 0 309.435 1.003 10 0 DDAERP CC[C@@H]1CN(c2ncc(Br)cc2C[NH3+])CC[N@@H+]1C ZINC000110750124 194356884 /nfs/dbraw/zinc/35/68/84/194356884.db2.gz KEHWSTVASSIHOM-GFCCVEGCSA-N 2 0 313.243 1.833 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000178732239 407570044 /nfs/dbraw/zinc/57/00/44/407570044.db2.gz HTCZBGVGHHFKFO-DLBZAZTESA-N 2 0 322.497 1.844 10 0 DDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106917621 407367398 /nfs/dbraw/zinc/36/73/98/407367398.db2.gz FMVJYKMCPNCUDH-GOSISDBHSA-N 2 0 317.477 1.960 10 0 DDAERP COC(=O)COc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1 ZINC000261977990 407698568 /nfs/dbraw/zinc/69/85/68/407698568.db2.gz QYZKSNYDUWRSSZ-HNNXBMFYSA-N 2 0 306.406 1.670 10 0 DDAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134584 407748069 /nfs/dbraw/zinc/74/80/69/407748069.db2.gz YNUNNMXOYYOLBX-ZWKOTPCHSA-N 2 0 302.466 1.835 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262303714 407789629 /nfs/dbraw/zinc/78/96/29/407789629.db2.gz OEVJXNUFIJIGNO-IAGOWNOFSA-N 2 0 319.449 1.550 10 0 DDAERP CCC[N@H+](CC)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1CC ZINC000245430423 407979737 /nfs/dbraw/zinc/97/97/37/407979737.db2.gz LQOMKJQNEDQYLK-HZPDHXFCSA-N 2 0 310.486 1.987 10 0 DDAERP CN1CC[NH2+]C[C@H]1c1noc(-c2ccc3c(c2)CC[NH2+]CC3)n1 ZINC000263195711 408052879 /nfs/dbraw/zinc/05/28/79/408052879.db2.gz IKCWXDZJBMVABI-HNNXBMFYSA-N 2 0 313.405 1.001 10 0 DDAERP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000263255842 408078636 /nfs/dbraw/zinc/07/86/36/408078636.db2.gz FOBQUZHMBGSPJA-KBPBESRZSA-N 2 0 317.433 1.131 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000246390342 408240636 /nfs/dbraw/zinc/24/06/36/408240636.db2.gz IPNKXAOUJLPGIO-IKGGRYGDSA-N 2 0 322.497 1.987 10 0 DDAERP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ncn1 ZINC000246441311 408254979 /nfs/dbraw/zinc/25/49/79/408254979.db2.gz ONIXSRLPSFWEIY-SOUVJXGZSA-N 2 0 318.469 1.559 10 0 DDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000246776304 408336568 /nfs/dbraw/zinc/33/65/68/408336568.db2.gz CGWWCGKQLSBXMM-GOEBONIOSA-N 2 0 310.486 1.887 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000177775346 408709489 /nfs/dbraw/zinc/70/94/89/408709489.db2.gz XCABQAYZRYAXIM-QGZVFWFLSA-N 2 0 322.497 1.146 10 0 DDAERP Nc1nnc(CC[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)s1 ZINC000299739807 410605595 /nfs/dbraw/zinc/60/55/95/410605595.db2.gz RNFVNQORJGUITG-NSHDSACASA-N 2 0 318.450 1.685 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658238812 424616406 /nfs/dbraw/zinc/61/64/06/424616406.db2.gz IWLNZWHMKBJVEB-RYQLBKOJSA-N 2 0 315.461 1.965 10 0 DDAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C[NH+]1CCCC1 ZINC000247499112 278201715 /nfs/dbraw/zinc/20/17/15/278201715.db2.gz UWKRRGUTDYQIGI-OAGGEKHMSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185170028 300313362 /nfs/dbraw/zinc/31/33/62/300313362.db2.gz VXMAFISELFZEFV-JKSUJKDBSA-N 2 0 322.497 1.987 10 0 DDAERP C[C@H](CC[NH+](C)C)Nc1nc(NN)[nH+]cc1Br ZINC000087866014 185233982 /nfs/dbraw/zinc/23/39/82/185233982.db2.gz PJBOYWWIPRBTEF-SSDOTTSWSA-N 2 0 303.208 1.277 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000249749617 282193704 /nfs/dbraw/zinc/19/37/04/282193704.db2.gz ADHKINMOWAZGNS-XHSDSOJGSA-N 2 0 310.486 1.890 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000221568617 539265126 /nfs/dbraw/zinc/26/51/26/539265126.db2.gz DAOGOHUVYZNTSD-HZPDHXFCSA-N 2 0 312.502 1.994 10 0 DDAERP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000092954295 185350449 /nfs/dbraw/zinc/35/04/49/185350449.db2.gz QPPZGEMQHRRPHB-UKRRQHHQSA-N 2 0 307.463 1.780 10 0 DDAERP C[C@H](O)CN1Cc2ccc(OC3CC[NH+](C)CC3)cc2[C@@H]1C[NH3+] ZINC000071685048 191008415 /nfs/dbraw/zinc/00/84/15/191008415.db2.gz HMDMLDWBBRPFQW-UGSOOPFHSA-N 2 0 319.449 1.356 10 0 DDAERP OCCc1ccc(F)c(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c1 ZINC000115650623 353986994 /nfs/dbraw/zinc/98/69/94/353986994.db2.gz KJOPFDPXKUBNAM-UHFFFAOYSA-N 2 0 308.397 1.315 10 0 DDAERP COCC[NH2+]Cc1sc(N2CCC[C@H]([NH+](C)C)C2)nc1C ZINC000091432402 193054810 /nfs/dbraw/zinc/05/48/10/193054810.db2.gz OMIGGDYZBTTWFZ-ZDUSSCGKSA-N 2 0 312.483 1.718 10 0 DDAERP O=S1(=O)CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093470131 193256312 /nfs/dbraw/zinc/25/63/12/193256312.db2.gz LDWYOFMZUMLLFD-QLFBSQMISA-N 2 0 300.468 1.464 10 0 DDAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000093516540 193263343 /nfs/dbraw/zinc/26/33/43/193263343.db2.gz KGCBFTKNTGEBAR-QWHCGFSZSA-N 2 0 305.488 1.215 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105016110 194064817 /nfs/dbraw/zinc/06/48/17/194064817.db2.gz SSKHRBNOPVUGRG-HZPDHXFCSA-N 2 0 308.470 1.598 10 0 DDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000106428200 194213608 /nfs/dbraw/zinc/21/36/08/194213608.db2.gz ZIDDHNBTPQRBBW-SFHVURJKSA-N 2 0 315.461 1.902 10 0 DDAERP Cc1nc(CC[NH+]2CCCC2)sc1C(=O)NCC[NH+](C)C ZINC000049664757 183753029 /nfs/dbraw/zinc/75/30/29/183753029.db2.gz VVDYEMVKXGTQNE-UHFFFAOYSA-N 2 0 310.467 1.381 10 0 DDAERP CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)CC[NH+](C)C)c1 ZINC000111141150 194394133 /nfs/dbraw/zinc/39/41/33/194394133.db2.gz TZPDKDPIGIJLSY-ZDUSSCGKSA-N 2 0 313.467 1.539 10 0 DDAERP CCCc1nc(N2CCN(CC[NH+](C)C)CC2)sc1C[NH3+] ZINC000061655618 184180817 /nfs/dbraw/zinc/18/08/17/184180817.db2.gz OZCAWPNULHOQED-UHFFFAOYSA-N 2 0 311.499 1.238 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)C1 ZINC000062968002 184263780 /nfs/dbraw/zinc/26/37/80/184263780.db2.gz OFVRLRYANVYDAJ-CQSZACIVSA-N 2 0 311.451 1.250 10 0 DDAERP CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000124861433 407371441 /nfs/dbraw/zinc/37/14/41/407371441.db2.gz NLVBLXWMJCTEOG-KBPBESRZSA-N 2 0 322.457 1.295 10 0 DDAERP c1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261582225 407544898 /nfs/dbraw/zinc/54/48/98/407544898.db2.gz GQEJIQQRTHVEHB-QZTJIDSGSA-N 2 0 303.450 1.619 10 0 DDAERP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261962280 407692329 /nfs/dbraw/zinc/69/23/29/407692329.db2.gz AHTPZQCDWGQRKL-NUEKZKHPSA-N 2 0 323.462 1.106 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000262021606 407714487 /nfs/dbraw/zinc/71/44/87/407714487.db2.gz XSWCRJYOBOECHC-HIFRSBDPSA-N 2 0 300.406 1.200 10 0 DDAERP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)nc2ccccn12 ZINC000261910035 407665152 /nfs/dbraw/zinc/66/51/52/407665152.db2.gz IVJXJCIOLRFJGR-ZACQAIPSSA-N 2 0 314.433 1.624 10 0 DDAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)C1 ZINC000262134582 407747661 /nfs/dbraw/zinc/74/76/61/407747661.db2.gz YNUNNMXOYYOLBX-QZTJIDSGSA-N 2 0 302.466 1.835 10 0 DDAERP CN(CC[N@H+](C)C[C@@H](O)COC(C)(C)C)C1CC[NH+](C)CC1 ZINC000180961552 407939827 /nfs/dbraw/zinc/93/98/27/407939827.db2.gz MOFZBCGLKPDYLE-MRXNPFEDSA-N 2 0 315.502 1.120 10 0 DDAERP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000263126800 408033274 /nfs/dbraw/zinc/03/32/74/408033274.db2.gz BJDRZEURLFVOEM-SPUZQDLCSA-N 2 0 303.450 1.209 10 0 DDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000263243627 408074171 /nfs/dbraw/zinc/07/41/71/408074171.db2.gz GZYOHYICRYSUQY-MLGOLLRUSA-N 2 0 320.437 1.889 10 0 DDAERP COc1ccc([C@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000263335061 408108853 /nfs/dbraw/zinc/10/88/53/408108853.db2.gz VZVSENZSTCUYCV-KRWDZBQOSA-N 2 0 317.433 1.558 10 0 DDAERP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ncn1 ZINC000246441293 408256050 /nfs/dbraw/zinc/25/60/50/408256050.db2.gz ONIXSRLPSFWEIY-RBSFLKMASA-N 2 0 318.469 1.559 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246301747 408211341 /nfs/dbraw/zinc/21/13/41/408211341.db2.gz AMLDLGOPODYCMN-HZPDHXFCSA-N 2 0 310.486 1.700 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000246542819 408287520 /nfs/dbraw/zinc/28/75/20/408287520.db2.gz KNXPUBKNWQNANF-BBWFWOEESA-N 2 0 322.497 1.985 10 0 DDAERP C[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171901499 162246233 /nfs/dbraw/zinc/24/62/33/162246233.db2.gz AMQNPBICGKKCAC-KRWDZBQOSA-N 2 0 316.449 1.738 10 0 DDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000247304207 408447763 /nfs/dbraw/zinc/44/77/63/408447763.db2.gz LNOKIVMUHVCEDA-JKSUJKDBSA-N 2 0 310.486 1.890 10 0 DDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000247332839 408451832 /nfs/dbraw/zinc/45/18/32/408451832.db2.gz NAWUYTTUHGNFLA-XJKSGUPXSA-N 2 0 308.470 1.641 10 0 DDAERP Brc1cnn(CCC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000310286948 164006289 /nfs/dbraw/zinc/00/62/89/164006289.db2.gz MOSUHBQHDRCHSG-GFCCVEGCSA-N 2 0 301.232 1.767 10 0 DDAERP CCC[C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+](C)C ZINC000179379960 263358901 /nfs/dbraw/zinc/35/89/01/263358901.db2.gz MCKAXSRTNBXTNH-MRXNPFEDSA-N 2 0 311.470 1.288 10 0 DDAERP CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000665283312 424774242 /nfs/dbraw/zinc/77/42/42/424774242.db2.gz LIYSHZLWTDOERS-ACBHZAAOSA-N 2 0 316.493 1.662 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247092896 279126967 /nfs/dbraw/zinc/12/69/67/279126967.db2.gz IEGYMPRGROUZGC-BZUAXINKSA-N 2 0 310.486 1.841 10 0 DDAERP CC[N@H+](CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C1CC1 ZINC000127845782 281288023 /nfs/dbraw/zinc/28/80/23/281288023.db2.gz SDTSNSYWVOFQDP-AWEZNQCLSA-N 2 0 311.470 1.022 10 0 DDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000702336427 699229443 /nfs/dbraw/zinc/22/94/43/699229443.db2.gz PIEUOMLXZVVRDV-SQNIBIBYSA-N 2 0 304.434 1.448 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)NCCC[NH+](CC)CC)o1 ZINC000088542072 185256131 /nfs/dbraw/zinc/25/61/31/185256131.db2.gz FHYOWIUTAGBEQR-UHFFFAOYSA-N 2 0 317.455 1.399 10 0 DDAERP CC(C)[NH2+]CCCCS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092679041 185333340 /nfs/dbraw/zinc/33/33/40/185333340.db2.gz IPCUSZPAIVCATL-AWEZNQCLSA-N 2 0 305.488 1.120 10 0 DDAERP Cc1ccc2c(c1)[C@H](C[NH3+])N(C[C@@H](C)C[NH+]1CCOCC1)C2 ZINC000071683000 191006597 /nfs/dbraw/zinc/00/65/97/191006597.db2.gz XGSODIDDUWUQOF-YJBOKZPZSA-N 2 0 303.450 1.779 10 0 DDAERP Clc1ccc(N2CC[NH+](CC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000091313662 193037863 /nfs/dbraw/zinc/03/78/63/193037863.db2.gz UKEANHGIFNTDQH-MRXNPFEDSA-N 2 0 309.841 1.841 10 0 DDAERP [NH3+]CCCCN1CC[NH+]([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094364425 193366230 /nfs/dbraw/zinc/36/62/30/193366230.db2.gz HNJQDSOCWSHSLP-HZPDHXFCSA-N 2 0 313.511 1.398 10 0 DDAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc2sccn2c1C[NH3+] ZINC000094446591 193371344 /nfs/dbraw/zinc/37/13/44/193371344.db2.gz FEQCBNVBFKLZLM-NWDGAFQWSA-N 2 0 305.451 1.918 10 0 DDAERP C[NH+](C)CCN1CCN([C@]2(C[NH3+])CSCCC2(C)C)CC1 ZINC000094484273 193372510 /nfs/dbraw/zinc/37/25/10/193372510.db2.gz OGWPUNPGZJIRDL-MRXNPFEDSA-N 2 0 314.543 1.026 10 0 DDAERP C[NH+](C)CCN1CC[NH+](Cc2ccc(C(N)=S)cc2)CC1 ZINC000061644350 184180523 /nfs/dbraw/zinc/18/05/23/184180523.db2.gz ICHNKLDOUSHRPW-UHFFFAOYSA-N 2 0 306.479 1.000 10 0 DDAERP O=S(=O)(CC[C@H]1CCCC[NH2+]1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062943061 184261684 /nfs/dbraw/zinc/26/16/84/184261684.db2.gz LYNBGWNNCQPEIQ-HUUCEWRRSA-N 2 0 315.483 1.019 10 0 DDAERP COc1ccc(/C=C/C(=O)NCCC[NH2+]CCCC[NH3+])cc1 ZINC000013763980 406867614 /nfs/dbraw/zinc/86/76/14/406867614.db2.gz MCIUJRHSBMIHCK-JXMROGBWSA-N 2 0 305.422 1.543 10 0 DDAERP [NH3+]C[C@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1 ZINC000261722980 407591771 /nfs/dbraw/zinc/59/17/71/407591771.db2.gz LZUGUJICQDGPFT-CYBMUJFWSA-N 2 0 308.389 1.991 10 0 DDAERP CC1CC[NH+](CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113591620 407519040 /nfs/dbraw/zinc/51/90/40/407519040.db2.gz BNQLBBSCDQZHEB-JKSUJKDBSA-N 2 0 308.470 1.596 10 0 DDAERP CN1CCO[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000171286379 407648207 /nfs/dbraw/zinc/64/82/07/407648207.db2.gz HYYLJYOAQSLRDT-QGZVFWFLSA-N 2 0 317.433 1.343 10 0 DDAERP [NH3+]C1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCOCC1 ZINC000261948556 407683935 /nfs/dbraw/zinc/68/39/35/407683935.db2.gz YPTDQSILZKGKED-UHFFFAOYSA-N 2 0 323.481 1.609 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000262303657 407790894 /nfs/dbraw/zinc/79/08/94/407790894.db2.gz ODRBTRPVSVWLET-OAHLLOKOSA-N 2 0 323.462 1.190 10 0 DDAERP CCOCC[N@@H+]1CCN(Cc2cccc3nccn32)C[C@@H]1C ZINC000180086631 407853240 /nfs/dbraw/zinc/85/32/40/407853240.db2.gz IWAVQOCJXDSABV-HNNXBMFYSA-N 2 0 302.422 1.877 10 0 DDAERP CCCN(CCC[NH+](C)C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000188612660 407960982 /nfs/dbraw/zinc/96/09/82/407960982.db2.gz BCMUYPHZAYGBDW-HNNXBMFYSA-N 2 0 314.474 1.080 10 0 DDAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C1C[NH2+]C1 ZINC000263321329 408106862 /nfs/dbraw/zinc/10/68/62/408106862.db2.gz RMSVYNLCDCMPKM-KBPBESRZSA-N 2 0 301.434 1.479 10 0 DDAERP CC[NH+]1CC[C@@H](N(C)C(=O)N[C@H]2CCC[N@@H+](CC)C2)[C@H](C)C1 ZINC000246517055 408280145 /nfs/dbraw/zinc/28/01/45/408280145.db2.gz UOQDLGQPPFPGPU-OWCLPIDISA-N 2 0 310.486 1.842 10 0 DDAERP CC[NH+]1CCC(CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246859643 408355951 /nfs/dbraw/zinc/35/59/51/408355951.db2.gz FNPDKESZVRPFOC-WBVHZDCISA-N 2 0 322.497 1.987 10 0 DDAERP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171907013 162248385 /nfs/dbraw/zinc/24/83/85/162248385.db2.gz RIXULVPECYQGBE-INIZCTEOSA-N 2 0 310.486 1.988 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000247511115 408483578 /nfs/dbraw/zinc/48/35/78/408483578.db2.gz YJBAMXRBUPDQBO-RHSMWYFYSA-N 2 0 322.497 1.889 10 0 DDAERP CCc1nc2ccccc2n1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195318398 222197580 /nfs/dbraw/zinc/19/75/80/222197580.db2.gz DGDCLGFLVFCPGK-CQSZACIVSA-N 2 0 312.417 1.905 10 0 DDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390778448 418755669 /nfs/dbraw/zinc/75/56/69/418755669.db2.gz PAZRYWZKYYXSLO-IAGOWNOFSA-N 2 0 303.450 1.998 10 0 DDAERP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638835621 423148243 /nfs/dbraw/zinc/14/82/43/423148243.db2.gz NASLVVLDNBLIHQ-CYGHRXIMSA-N 2 0 315.461 1.726 10 0 DDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638837243 423150401 /nfs/dbraw/zinc/15/04/01/423150401.db2.gz YIUOTHUZBGHLQK-USXIJHARSA-N 2 0 301.434 1.480 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638078695 422638247 /nfs/dbraw/zinc/63/82/47/422638247.db2.gz GBYVXCITIXQEFR-DLBZAZTESA-N 2 0 318.465 1.046 10 0 DDAERP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[NH2+]CCOC1 ZINC000649276355 423715769 /nfs/dbraw/zinc/71/57/69/423715769.db2.gz QLBCUWXGFAUFOD-INIZCTEOSA-N 2 0 317.433 1.003 10 0 DDAERP CCCC[C@@H](C(=O)OC)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105915390 276239175 /nfs/dbraw/zinc/23/91/75/276239175.db2.gz KGUUYNUGBKDKMS-ZBFHGGJFSA-N 2 0 314.470 1.743 10 0 DDAERP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000171903773 298239299 /nfs/dbraw/zinc/23/92/99/298239299.db2.gz BIEIEJBYJYQVOW-NUJGCVRESA-N 2 0 322.497 1.987 10 0 DDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000263243864 300818452 /nfs/dbraw/zinc/81/84/52/300818452.db2.gz PAUBPBOOBYPBSO-NUJGCVRESA-N 2 0 323.481 1.465 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715161825 699274554 /nfs/dbraw/zinc/27/45/54/699274554.db2.gz VQOFLGUWLOZLHM-UBHSHLNASA-N 2 0 311.376 1.463 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CC(F)(F)F)CC1 ZINC000249501084 282161191 /nfs/dbraw/zinc/16/11/91/282161191.db2.gz XFSQWPJMXUGBDO-YPMHNXCESA-N 2 0 312.376 1.324 10 0 DDAERP COc1ccc([C@H](C[NH3+])NCC[NH+](C)C)c(Cl)c1OC ZINC000087912052 185237204 /nfs/dbraw/zinc/23/72/04/185237204.db2.gz HOWRSOHGLFVVQX-NSHDSACASA-N 2 0 301.818 1.508 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000249749602 282193646 /nfs/dbraw/zinc/19/36/46/282193646.db2.gz ADHKINMOWAZGNS-OAGGEKHMSA-N 2 0 310.486 1.890 10 0 DDAERP C[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738387 539246396 /nfs/dbraw/zinc/24/63/96/539246396.db2.gz QNSYGXZIELEXPT-UXLLHSPISA-N 2 0 323.481 1.212 10 0 DDAERP CC[NH+](CC)[C@H](CNS(=O)(=O)[C@@H](C)C[NH3+])c1ccccc1 ZINC000088472013 185252008 /nfs/dbraw/zinc/25/20/08/185252008.db2.gz SYTCTNYKQYDPSN-DZGCQCFKSA-N 2 0 313.467 1.336 10 0 DDAERP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000092954298 185350324 /nfs/dbraw/zinc/35/03/24/185350324.db2.gz QPPZGEMQHRRPHB-ZFWWWQNUSA-N 2 0 307.463 1.780 10 0 DDAERP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000073402183 191312186 /nfs/dbraw/zinc/31/21/86/191312186.db2.gz GYBCQQWXESVMRW-HNNXBMFYSA-N 2 0 316.449 1.719 10 0 DDAERP CC[NH2+][C@@H]1COC[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000090491286 192923398 /nfs/dbraw/zinc/92/33/98/192923398.db2.gz YJHOQNDSUKYLHX-XQQFMLRXSA-N 2 0 311.451 1.092 10 0 DDAERP C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000093473028 193257065 /nfs/dbraw/zinc/25/70/65/193257065.db2.gz NVHYXUHTEDOLRZ-OCCSQVGLSA-N 2 0 311.451 1.344 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000094638680 193388199 /nfs/dbraw/zinc/38/81/99/193388199.db2.gz UTCKVRVYOXZSDF-XHSDSOJGSA-N 2 0 314.495 1.806 10 0 DDAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000041507849 183195297 /nfs/dbraw/zinc/19/52/97/183195297.db2.gz SVYWQVJNBQEIIA-CYBMUJFWSA-N 2 0 300.244 1.942 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000041681873 183216726 /nfs/dbraw/zinc/21/67/26/183216726.db2.gz PGOQIPTYTSTLJO-CQSZACIVSA-N 2 0 305.488 1.026 10 0 DDAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000106428204 194213924 /nfs/dbraw/zinc/21/39/24/194213924.db2.gz ZIDDHNBTPQRBBW-GOSISDBHSA-N 2 0 315.461 1.902 10 0 DDAERP CCOCC[N@H+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000111122095 194391892 /nfs/dbraw/zinc/39/18/92/194391892.db2.gz CWACPNJCDPBOJL-MRXNPFEDSA-N 2 0 301.475 1.757 10 0 DDAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000111169366 194397391 /nfs/dbraw/zinc/39/73/91/194397391.db2.gz XHIJXKJJJBCUMK-HOCLYGCPSA-N 2 0 300.443 1.796 10 0 DDAERP C[C@H](CNC(=O)C1([NH3+])CCOCC1)N1CCc2sccc2C1 ZINC000261670924 407576097 /nfs/dbraw/zinc/57/60/97/407576097.db2.gz BXAIUFSEZUBQNS-GFCCVEGCSA-N 2 0 323.462 1.119 10 0 DDAERP CCn1cc(CN2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000261929213 407675840 /nfs/dbraw/zinc/67/58/40/407675840.db2.gz CPUQRGWZNYSWMJ-KRWDZBQOSA-N 2 0 305.470 1.410 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000171588549 407711912 /nfs/dbraw/zinc/71/19/12/407711912.db2.gz IALISERXIRORQR-YJBOKZPZSA-N 2 0 306.450 1.745 10 0 DDAERP Cc1ccc([C@@H](CNC(=O)C2(C[NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000262138921 407750405 /nfs/dbraw/zinc/75/04/05/407750405.db2.gz HBFPJWKMESZWEF-MRXNPFEDSA-N 2 0 319.449 1.469 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000262277715 407781016 /nfs/dbraw/zinc/78/10/16/407781016.db2.gz LHJGOUDTUBMIBJ-INIZCTEOSA-N 2 0 305.422 1.831 10 0 DDAERP COC(=O)[C@H](c1cccnc1)N1CCC[C@@H]1Cn1ccnc1C ZINC000154542194 408047518 /nfs/dbraw/zinc/04/75/18/408047518.db2.gz DEKHJQDSIXABSD-CVEARBPZSA-N 2 0 314.389 1.965 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CC(F)(F)F)CC1 ZINC000189180951 408002198 /nfs/dbraw/zinc/00/21/98/408002198.db2.gz XFSQWPJMXUGBDO-DGCLKSJQSA-N 2 0 312.376 1.324 10 0 DDAERP CCC[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[NH+](C)C ZINC000136518470 408108876 /nfs/dbraw/zinc/10/88/76/408108876.db2.gz LUBZBPZRYLSBLC-QGZVFWFLSA-N 2 0 321.465 1.974 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)COC(C)(C)C)CC1 ZINC000247054252 408397934 /nfs/dbraw/zinc/39/79/34/408397934.db2.gz FMPSGYVTZGXCFB-GOEBONIOSA-N 2 0 316.486 1.187 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000179854948 287086066 /nfs/dbraw/zinc/08/60/66/287086066.db2.gz FWNJZLDNMWXFFO-CQSZACIVSA-N 2 0 319.449 1.310 10 0 DDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000381514183 418728510 /nfs/dbraw/zinc/72/85/10/418728510.db2.gz ZGIWPQHQMCQRHP-KRWDZBQOSA-N 2 0 303.450 1.967 10 0 DDAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000389971581 418751780 /nfs/dbraw/zinc/75/17/80/418751780.db2.gz CGYOHVNLVDPWDQ-MUIFIZLQSA-N 2 0 301.434 1.479 10 0 DDAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649299353 423733413 /nfs/dbraw/zinc/73/34/13/423733413.db2.gz MCJYVWHLSIKIHM-SJORKVTESA-N 2 0 317.433 1.003 10 0 DDAERP COC[C@]1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649332213 423759475 /nfs/dbraw/zinc/75/94/75/423759475.db2.gz GXQRJZIOWDQZEL-QAPCUYQASA-N 2 0 319.449 1.392 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCCC1 ZINC000246566514 279330488 /nfs/dbraw/zinc/33/04/88/279330488.db2.gz ZUAICBDGVOLJDG-CVEARBPZSA-N 2 0 308.470 1.598 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+](CC)CC ZINC000173312435 281189434 /nfs/dbraw/zinc/18/94/34/281189434.db2.gz DEPBWTOMALYCAH-JKSUJKDBSA-N 2 0 310.486 1.987 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+](CC)CC ZINC000245661285 288316237 /nfs/dbraw/zinc/31/62/37/288316237.db2.gz DEPBWTOMALYCAH-HOTGVXAUSA-N 2 0 310.486 1.987 10 0 DDAERP c1ccc(C[N@@H+]2CCCO[C@@H](CNC3CC[NH2+]CC3)C2)cc1 ZINC000390687427 307293836 /nfs/dbraw/zinc/29/38/36/307293836.db2.gz YVLQVNFRFUJWLP-SFHVURJKSA-N 2 0 303.450 1.619 10 0 DDAERP O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000193879953 484126669 /nfs/dbraw/zinc/12/66/69/484126669.db2.gz KTXZIIBFWJKJCZ-QGZVFWFLSA-N 2 0 313.445 1.614 10 0 DDAERP CC(C)[N@H+]1C[C@H](NC(=O)NCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000157922061 519696310 /nfs/dbraw/zinc/69/63/10/519696310.db2.gz DCHPZJAXPKNRPG-HOTGVXAUSA-N 2 0 310.486 1.746 10 0 DDAERP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000246252689 698346706 /nfs/dbraw/zinc/34/67/06/698346706.db2.gz JZZQYTUOKISJIB-HNNXBMFYSA-N 2 0 316.449 1.767 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(C[NH3+])cnn1C ZINC000719184335 699298818 /nfs/dbraw/zinc/29/88/18/699298818.db2.gz KVQLDJGVTAZKBC-ZDUSSCGKSA-N 2 0 315.421 1.129 10 0 DDAERP CCC[C@@H](C[NH3+])C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000087528120 185227818 /nfs/dbraw/zinc/22/78/18/185227818.db2.gz BBWRMBMUEAPVPA-HNNXBMFYSA-N 3 0 300.491 1.093 10 0 DDAERP C[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738423 539246380 /nfs/dbraw/zinc/24/63/80/539246380.db2.gz QNSYGXZIELEXPT-ZOBUZTSGSA-N 2 0 323.481 1.212 10 0 DDAERP CC[C@@H](C[NH3+])S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000088472909 185252400 /nfs/dbraw/zinc/25/24/00/185252400.db2.gz FJEPSECPSODXHB-AWEZNQCLSA-N 2 0 303.472 1.004 10 0 DDAERP CC[NH+](CC)CCCNS(=O)(=O)c1ccc(C[NH2+]C)o1 ZINC000088542073 185256028 /nfs/dbraw/zinc/25/60/28/185256028.db2.gz FMNXQYIDKFLUMN-UHFFFAOYSA-N 2 0 303.428 1.009 10 0 DDAERP [NH3+]CCc1c(N2CC[C@H]([NH+]3CCCC3)C2)nc2sccn12 ZINC000111482000 185607830 /nfs/dbraw/zinc/60/78/30/185607830.db2.gz QWGDFMUZEZLKKJ-LBPRGKRZSA-N 2 0 305.451 1.572 10 0 DDAERP OCC[NH+](CCO)Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000136266105 354116875 /nfs/dbraw/zinc/11/68/75/354116875.db2.gz RJPRQLWAKBHATM-UHFFFAOYSA-N 2 0 322.449 1.338 10 0 DDAERP CCNC(=O)CC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195294074 354296072 /nfs/dbraw/zinc/29/60/72/354296072.db2.gz XAPQDYPEFUZYIG-INIZCTEOSA-N 2 0 304.438 1.362 10 0 DDAERP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CSc2ccccc21 ZINC000092290435 193185137 /nfs/dbraw/zinc/18/51/37/193185137.db2.gz KUYSGXQBZSZKJO-ZDUSSCGKSA-N 2 0 305.447 1.240 10 0 DDAERP [NH3+][C@]1(CO)CCC[C@H]1CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093615153 193275600 /nfs/dbraw/zinc/27/56/00/193275600.db2.gz HFPONMUAVWQLFT-STQMWFEESA-N 2 0 309.376 1.046 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000041681740 183216180 /nfs/dbraw/zinc/21/61/80/183216180.db2.gz SXGVRGODJGIUKN-OLZOCXBDSA-N 2 0 313.467 1.715 10 0 DDAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000105144395 194078689 /nfs/dbraw/zinc/07/86/89/194078689.db2.gz LXXFUNNQIGTDBZ-HOCLYGCPSA-N 2 0 306.454 1.350 10 0 DDAERP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000110389653 194327117 /nfs/dbraw/zinc/32/71/17/194327117.db2.gz OEIPJSMRMDHDGB-NSHDSACASA-N 2 0 317.480 1.312 10 0 DDAERP COC(=O)[C@](C)(CCC[N@H+](C)CCC[NH+](C)C)NC(C)C ZINC000111145368 194395275 /nfs/dbraw/zinc/39/52/75/194395275.db2.gz FZWUVWVOMASZDX-INIZCTEOSA-N 2 0 301.475 1.580 10 0 DDAERP CCN[C@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145537 194395402 /nfs/dbraw/zinc/39/54/02/194395402.db2.gz XPGVYWTXNDRCOR-MRXNPFEDSA-N 2 0 301.475 1.581 10 0 DDAERP CCN(C(C)=O)c1nc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000261616120 407554101 /nfs/dbraw/zinc/55/41/01/407554101.db2.gz FTLRDHDJHMTYMN-UBHSHLNASA-N 2 0 308.451 1.685 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000170863015 407535462 /nfs/dbraw/zinc/53/54/62/407535462.db2.gz UBQOPKGUNPHLKI-CVEARBPZSA-N 2 0 322.428 1.774 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)C1CCCCC1 ZINC000261896440 407660171 /nfs/dbraw/zinc/66/01/71/407660171.db2.gz WANJQEDKMNRDOW-HZPDHXFCSA-N 2 0 311.470 1.367 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000152430526 407632479 /nfs/dbraw/zinc/63/24/79/407632479.db2.gz KNXPUBKNWQNANF-BRWVUGGUSA-N 2 0 322.497 1.985 10 0 DDAERP CCC[C@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[NH+](C)C ZINC000135211616 407991247 /nfs/dbraw/zinc/99/12/47/407991247.db2.gz FTVYOJQWXWYLCZ-OAHLLOKOSA-N 2 0 322.453 1.369 10 0 DDAERP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263229797 408067462 /nfs/dbraw/zinc/06/74/62/408067462.db2.gz NFQKWLQCUACENJ-FRFSOERESA-N 2 0 319.449 1.697 10 0 DDAERP CC1CC[NH+]([C@H](CNC(=O)C2C[NH2+]C2)c2ccccc2)CC1 ZINC000263282622 408091182 /nfs/dbraw/zinc/09/11/82/408091182.db2.gz JZLWCASJJGALTI-QGZVFWFLSA-N 2 0 301.434 1.795 10 0 DDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246010144 408118459 /nfs/dbraw/zinc/11/84/59/408118459.db2.gz IWWURAFMDQSTCH-QKPAOTATSA-N 2 0 310.486 1.698 10 0 DDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246423595 408251974 /nfs/dbraw/zinc/25/19/74/408251974.db2.gz MHTWRSBEGCHWBU-IKGGRYGDSA-N 2 0 322.497 1.987 10 0 DDAERP C(CCN1CC[NH+]2CCC[C@H]2C1)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246888166 408361848 /nfs/dbraw/zinc/36/18/48/408361848.db2.gz GFIRWNPSCHNMCG-OALUTQOASA-N 2 0 320.525 1.717 10 0 DDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000176592844 408399809 /nfs/dbraw/zinc/39/98/09/408399809.db2.gz YJEWLLNJUANVBF-ARFHVFGLSA-N 2 0 308.470 1.739 10 0 DDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000247475262 408479350 /nfs/dbraw/zinc/47/93/50/408479350.db2.gz VPSPFWUCLYOXTP-GOEBONIOSA-N 2 0 310.486 1.889 10 0 DDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C[C@@H]1C ZINC000248650648 408608041 /nfs/dbraw/zinc/60/80/41/408608041.db2.gz SEOQQRNGDLIHAX-GJZGRUSLSA-N 2 0 311.470 1.199 10 0 DDAERP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)COC(C)C)C2)n1 ZINC000249910201 408772684 /nfs/dbraw/zinc/77/26/84/408772684.db2.gz VUBBHDIYRVRDHB-JKSUJKDBSA-N 2 0 307.438 1.910 10 0 DDAERP C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422973370 227289536 /nfs/dbraw/zinc/28/95/36/227289536.db2.gz BVQVXXDVTKRSHO-RYQLBKOJSA-N 2 0 303.450 1.211 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658245576 424619364 /nfs/dbraw/zinc/61/93/64/424619364.db2.gz SJDZTTOYUUNZHI-NJAFHUGGSA-N 2 0 315.461 1.965 10 0 DDAERP C[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192713066 278393447 /nfs/dbraw/zinc/39/34/47/278393447.db2.gz RROVQHFBFNYOIH-QAPCUYQASA-N 2 0 306.450 1.745 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COC(C)(C)C)CC1 ZINC000105915504 278395465 /nfs/dbraw/zinc/39/54/65/278395465.db2.gz FMPSGYVTZGXCFB-ZBFHGGJFSA-N 2 0 316.486 1.187 10 0 DDAERP C[C@H]1C[NH+](Cc2ccccc2CNC2=[NH+]CCCN2)C[C@H](C)O1 ZINC000261691556 278437037 /nfs/dbraw/zinc/43/70/37/278437037.db2.gz BGIFUCWBJUBKJJ-GJZGRUSLSA-N 2 0 316.449 1.735 10 0 DDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000247196535 279271579 /nfs/dbraw/zinc/27/15/79/279271579.db2.gz LLEULJFVTDRIJZ-ARFHVFGLSA-N 2 0 308.470 1.739 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CCCC[NH+]1CC ZINC000245424289 279298200 /nfs/dbraw/zinc/29/82/00/279298200.db2.gz RTPDPPZZPJZYGN-HZPDHXFCSA-N 2 0 310.486 1.987 10 0 DDAERP CC[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000121629925 281141645 /nfs/dbraw/zinc/14/16/45/281141645.db2.gz WDDUOJHUBZWHCK-CVEARBPZSA-N 2 0 311.470 1.022 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247004775 288302646 /nfs/dbraw/zinc/30/26/46/288302646.db2.gz KXSRRURSXOGFEG-KLHDSHLOSA-N 2 0 308.470 1.737 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000247558086 282059998 /nfs/dbraw/zinc/05/99/98/282059998.db2.gz RFCAKBHTFWJZHQ-HOTGVXAUSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400403743 302369171 /nfs/dbraw/zinc/36/91/71/302369171.db2.gz QZQZNKUIWJHMEC-SJLPKXTDSA-N 3 0 317.477 1.601 10 0 DDAERP CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554193 698427434 /nfs/dbraw/zinc/42/74/34/698427434.db2.gz UAXUXBAJMMZESG-IKGGRYGDSA-N 2 0 301.434 1.847 10 0 DDAERP CC[NH+](CC)CCOc1nc(NN)[nH+]cc1Br ZINC000087885386 185234297 /nfs/dbraw/zinc/23/42/97/185234297.db2.gz CZPCPZZJSVIXFR-UHFFFAOYSA-N 2 0 304.192 1.245 10 0 DDAERP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000170834756 306683097 /nfs/dbraw/zinc/68/30/97/306683097.db2.gz AZXNLFBHRDVZDL-SJORKVTESA-N 2 0 318.465 1.943 10 0 DDAERP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000094011845 193338573 /nfs/dbraw/zinc/33/85/73/193338573.db2.gz DKWMIHMIKRGSSM-CABCVRRESA-N 2 0 302.484 1.664 10 0 DDAERP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000049560576 183741856 /nfs/dbraw/zinc/74/18/56/183741856.db2.gz ILVPEFXBIKXSKM-OLZOCXBDSA-N 2 0 313.467 1.586 10 0 DDAERP CS(=O)(=O)c1ccc(C[NH2+]CCCC2CC[NH2+]CC2)cc1 ZINC000050954109 183809474 /nfs/dbraw/zinc/80/94/74/183809474.db2.gz OYODRYCDZCQICJ-UHFFFAOYSA-N 2 0 310.463 1.960 10 0 DDAERP C[NH+](C)CCN1CCO[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000503719135 257208505 /nfs/dbraw/zinc/20/85/05/257208505.db2.gz YZPABFKWOHDFQF-IRXDYDNUSA-N 2 0 307.413 1.272 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638300085 422814297 /nfs/dbraw/zinc/81/42/97/422814297.db2.gz DWANXQPWLITJHA-PBHICJAKSA-N 2 0 305.422 1.002 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000113617257 407518889 /nfs/dbraw/zinc/51/88/89/407518889.db2.gz GETJKKVGOKMCME-GDBMZVCRSA-N 2 0 308.470 1.739 10 0 DDAERP c1ccc(CN2CCO[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261582223 407544568 /nfs/dbraw/zinc/54/45/68/407544568.db2.gz GQEJIQQRTHVEHB-MSOLQXFVSA-N 2 0 303.450 1.619 10 0 DDAERP CC[NH+](CC)[C@H](CNC(=O)C1([NH3+])CCOCC1)c1ccccc1 ZINC000261728275 407592881 /nfs/dbraw/zinc/59/28/81/407592881.db2.gz MPDDIAWCWVPYTF-MRXNPFEDSA-N 2 0 319.449 1.694 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262266607 407777955 /nfs/dbraw/zinc/77/79/55/407777955.db2.gz JXHQJMRGJQKLBC-WMLDXEAASA-N 2 0 319.449 1.651 10 0 DDAERP CC[C@@H]1CN(C(=O)NCC[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000117468580 407838447 /nfs/dbraw/zinc/83/84/47/407838447.db2.gz JIUAHLIYTHDUJM-OAHLLOKOSA-N 2 0 314.474 1.080 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000245659664 408037376 /nfs/dbraw/zinc/03/73/76/408037376.db2.gz CZGCHIMLUDHCJG-BBWFWOEESA-N 2 0 322.497 1.987 10 0 DDAERP C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C[N@@H+]1C1CC1 ZINC000246179085 408166798 /nfs/dbraw/zinc/16/67/98/408166798.db2.gz GWMRQRUCYSONFG-IXYNUQLISA-N 2 0 306.454 1.490 10 0 DDAERP CCC[C@@H](C(=O)OCC)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246685562 408317043 /nfs/dbraw/zinc/31/70/43/408317043.db2.gz HWFRTYISJNFZPZ-HOCLYGCPSA-N 2 0 314.470 1.743 10 0 DDAERP CN(CC[NH+]1CCCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000132287082 162034312 /nfs/dbraw/zinc/03/43/12/162034312.db2.gz OMEIVNSAKWHWLS-UHFFFAOYSA-N 2 0 319.497 1.765 10 0 DDAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173959532 162382356 /nfs/dbraw/zinc/38/23/56/162382356.db2.gz GXDKEIDVQPZKIQ-ARFHVFGLSA-N 2 0 309.454 1.040 10 0 DDAERP CCC[C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000161609269 408620458 /nfs/dbraw/zinc/62/04/58/408620458.db2.gz RACFTTSYKTVFEV-MRXNPFEDSA-N 2 0 311.470 1.288 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)C2CCCCC2)CC1 ZINC000248906734 408658197 /nfs/dbraw/zinc/65/81/97/408658197.db2.gz MBFUZMABOMYCPV-MAUKXSAKSA-N 2 0 312.498 1.952 10 0 DDAERP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638836197 423148827 /nfs/dbraw/zinc/14/88/27/423148827.db2.gz RLRTVBBBCHJRLB-PVAVHDDUSA-N 2 0 303.450 1.998 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658245577 424619661 /nfs/dbraw/zinc/61/96/61/424619661.db2.gz SJDZTTOYUUNZHI-NXHRZFHOSA-N 2 0 315.461 1.965 10 0 DDAERP C[C@H]([NH3+])CC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000261713366 278224593 /nfs/dbraw/zinc/22/45/93/278224593.db2.gz DOHYEOHYRBBWSX-RRFJBIMHSA-N 2 0 311.470 1.462 10 0 DDAERP C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C)[C@H]2CCCO2)COC1)[C@H]1CCCO1 ZINC000248595919 539272207 /nfs/dbraw/zinc/27/22/07/539272207.db2.gz MKMWQWIEBUKLIU-QKPAOTATSA-N 2 0 312.454 1.317 10 0 DDAERP CCC[NH2+]C[C@@H](C)S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092680026 185333397 /nfs/dbraw/zinc/33/33/97/185333397.db2.gz IOXGKVUHNGLWFC-KGLIPLIRSA-N 2 0 305.488 1.120 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000092633973 185330552 /nfs/dbraw/zinc/33/05/52/185330552.db2.gz MONVGWXHFYXNME-CQSZACIVSA-N 2 0 311.451 1.121 10 0 DDAERP C[C@H](CN1Cc2ccc(F)cc2[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000071683111 191007351 /nfs/dbraw/zinc/00/73/51/191007351.db2.gz DAHIRTHVNUOAFH-GUYCJALGSA-N 2 0 307.413 1.609 10 0 DDAERP C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180492021 199165944 /nfs/dbraw/zinc/16/59/44/199165944.db2.gz TZCHMRFFBRDQSZ-CRAIPNDOSA-N 2 0 321.465 1.608 10 0 DDAERP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CC[NH2+]CC1 ZINC000237908934 202388083 /nfs/dbraw/zinc/38/80/83/202388083.db2.gz RTUDYKGFFPDGSR-OAHLLOKOSA-N 2 0 305.422 1.922 10 0 DDAERP CC[NH2+][C@@]1(CO)CCC[C@@H]([N@H+](CCCOC)CCOC)C1 ZINC000093783170 193307611 /nfs/dbraw/zinc/30/76/11/193307611.db2.gz HYOMQLGUQQIIGD-CVEARBPZSA-N 2 0 302.459 1.255 10 0 DDAERP CC(C)(C[NH3+])N1CC[NH+]([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094364704 193365601 /nfs/dbraw/zinc/36/56/01/193365601.db2.gz JSQXRYCXDIYXAR-GDBMZVCRSA-N 2 0 313.511 1.396 10 0 DDAERP C[N@H+](Cc1ccc(C[NH3+])cc1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634652 193386415 /nfs/dbraw/zinc/38/64/15/193386415.db2.gz RPVYAJPNJGXPKZ-CVEARBPZSA-N 2 0 310.463 1.933 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000041681331 183216232 /nfs/dbraw/zinc/21/62/32/183216232.db2.gz AWPVDLNAFJQBCU-ZDUSSCGKSA-N 2 0 305.488 1.026 10 0 DDAERP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000110318245 194321679 /nfs/dbraw/zinc/32/16/79/194321679.db2.gz CLIWAPWWUDVMMP-GJZGRUSLSA-N 2 0 317.499 1.265 10 0 DDAERP CCOC(=O)[C@@](C)(CCCC[N@H+](C)CCC[NH+](C)C)NC ZINC000111145594 194395197 /nfs/dbraw/zinc/39/51/97/194395197.db2.gz DFLNAGPQTGZBLW-MRXNPFEDSA-N 2 0 301.475 1.581 10 0 DDAERP COCC[NH2+]Cc1sc(N2CCC[C@H]2C[NH+](C)C)nc1C ZINC000061655600 184180937 /nfs/dbraw/zinc/18/09/37/184180937.db2.gz VHCSUKJCAMIWGE-ZDUSSCGKSA-N 2 0 312.483 1.718 10 0 DDAERP CN(Cc1ccc(Br)cc1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990416 184199795 /nfs/dbraw/zinc/19/97/95/184199795.db2.gz NYHGLNVYJLQBIU-AWEZNQCLSA-N 2 0 312.255 1.914 10 0 DDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@@H](c2cccs2)C2CC2)C1 ZINC000063178195 184276603 /nfs/dbraw/zinc/27/66/03/184276603.db2.gz CSETUJKPZPGIPW-DZGCQCFKSA-N 2 0 307.463 1.986 10 0 DDAERP C[C@@H]([NH3+])C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000158207535 197253245 /nfs/dbraw/zinc/25/32/45/197253245.db2.gz YMHCXBMJEBHSDW-CQSZACIVSA-N 2 0 305.422 1.167 10 0 DDAERP O=C1[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]2CN1CC[NH+]1CCCC1 ZINC000247812845 257118349 /nfs/dbraw/zinc/11/83/49/257118349.db2.gz BMQWVXWNWJYIKP-HZPDHXFCSA-N 2 0 303.406 1.266 10 0 DDAERP CC(C)[N@H+]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000123442548 195583034 /nfs/dbraw/zinc/58/30/34/195583034.db2.gz PTEGKTKFSUSESM-HOCLYGCPSA-N 2 0 310.486 1.746 10 0 DDAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000106916094 407367314 /nfs/dbraw/zinc/36/73/14/407367314.db2.gz NZYWLTNCVFYWIE-IAGOWNOFSA-N 2 0 303.450 1.712 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000185795545 407505529 /nfs/dbraw/zinc/50/55/29/407505529.db2.gz ZRRVYBOYBUMTRY-HNNXBMFYSA-N 2 0 310.486 1.892 10 0 DDAERP [NH3+]C1(C(=O)Nc2nc(CN3CCCCC3)cs2)CCOCC1 ZINC000261680833 407577303 /nfs/dbraw/zinc/57/73/03/407577303.db2.gz CMDZDKPRBGTBMX-UHFFFAOYSA-N 2 0 324.450 1.575 10 0 DDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000261797178 407620652 /nfs/dbraw/zinc/62/06/52/407620652.db2.gz IPSZVMWYPOYWFO-GDBMZVCRSA-N 2 0 317.433 1.446 10 0 DDAERP CC[NH+](CC)[C@@H](CNC(=O)C1([NH3+])CCOCC1)c1ccccc1 ZINC000261728274 407593559 /nfs/dbraw/zinc/59/35/59/407593559.db2.gz MPDDIAWCWVPYTF-INIZCTEOSA-N 2 0 319.449 1.694 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn3ccccc23)CC1 ZINC000179517332 407800046 /nfs/dbraw/zinc/80/00/46/407800046.db2.gz PNAJDPVFLFMKEE-OAHLLOKOSA-N 2 0 316.449 1.859 10 0 DDAERP C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263197871 408054352 /nfs/dbraw/zinc/05/43/52/408054352.db2.gz IRNCEPCVZIKWSL-IAGOWNOFSA-N 2 0 305.466 1.315 10 0 DDAERP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000246315488 408216251 /nfs/dbraw/zinc/21/62/51/408216251.db2.gz MQENGGIQEUMDKH-FMKPAKJESA-N 2 0 306.454 1.491 10 0 DDAERP C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151299669 408291285 /nfs/dbraw/zinc/29/12/85/408291285.db2.gz HXPRWIMOZQVZRY-GDBMZVCRSA-N 2 0 320.433 1.955 10 0 DDAERP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171902932 162245845 /nfs/dbraw/zinc/24/58/45/162245845.db2.gz DMWFSZPIDWXWCR-INIZCTEOSA-N 2 0 306.454 1.350 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000173938393 162381208 /nfs/dbraw/zinc/38/12/08/162381208.db2.gz ZZIVZIDTSYCKED-CYBMUJFWSA-N 2 0 308.430 1.051 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000250303829 408777039 /nfs/dbraw/zinc/77/70/39/408777039.db2.gz ZMFNENOBVRFULF-HOTGVXAUSA-N 2 0 310.486 1.890 10 0 DDAERP CC(C)[N@H+]1C[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000189985734 222063871 /nfs/dbraw/zinc/06/38/71/222063871.db2.gz BWOGPSVOIHEIAO-GJZGRUSLSA-N 2 0 310.486 1.841 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CCCC[NH+]1CC ZINC000245424290 279298116 /nfs/dbraw/zinc/29/81/16/279298116.db2.gz RTPDPPZZPJZYGN-JKSUJKDBSA-N 2 0 310.486 1.987 10 0 DDAERP CC[N@H+](CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)C1CC1 ZINC000127845554 281288060 /nfs/dbraw/zinc/28/80/60/281288060.db2.gz SDTSNSYWVOFQDP-CQSZACIVSA-N 2 0 311.470 1.022 10 0 DDAERP CC[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246623751 282002397 /nfs/dbraw/zinc/00/23/97/282002397.db2.gz WDDUOJHUBZWHCK-HOTGVXAUSA-N 2 0 311.470 1.022 10 0 DDAERP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261712682 484254765 /nfs/dbraw/zinc/25/47/65/484254765.db2.gz JHYORLYRLIOXNH-UKRRQHHQSA-N 2 0 311.470 1.367 10 0 DDAERP c1ccc2c(c1)CC[C@@H](C[NH2+]CCCNC1=[NH+]CCCN1)O2 ZINC000001541648 560181995 /nfs/dbraw/zinc/18/19/95/560181995.db2.gz QVSXOXCYXPQXMF-HNNXBMFYSA-N 2 0 302.422 1.299 10 0 in-vitro DDAERP CCOC(C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)OCC ZINC000184967632 697511265 /nfs/dbraw/zinc/51/12/65/697511265.db2.gz YFOAZFQGPQEQTB-CQSZACIVSA-N 2 0 302.459 1.410 10 0 DDAERP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248900698 698383764 /nfs/dbraw/zinc/38/37/64/698383764.db2.gz YZHUKXILLCGERP-NPJQDHAYSA-N 2 0 311.470 1.377 10 0 DDAERP COc1ccc([C@@H](C[NH3+])NCC[NH+](C)C)c(Cl)c1OC ZINC000087912053 185237363 /nfs/dbraw/zinc/23/73/63/185237363.db2.gz HOWRSOHGLFVVQX-LLVKDONJSA-N 2 0 301.818 1.508 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C[NH3+])cs1 ZINC000092680031 185333361 /nfs/dbraw/zinc/33/33/61/185333361.db2.gz WVEICNKNFICLIN-LBPRGKRZSA-N 2 0 317.480 1.312 10 0 DDAERP C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)C1 ZINC000089034454 192709250 /nfs/dbraw/zinc/70/92/50/192709250.db2.gz JWGCQOVHRDXUMO-NSHDSACASA-N 2 0 317.842 1.123 10 0 DDAERP C[N@@H+]1CC[C@@]2(C[NH+]=C(N)N2c2cccc(Br)c2)C1 ZINC000093387480 193241624 /nfs/dbraw/zinc/24/16/24/193241624.db2.gz MIBUVTSRJATERV-CYBMUJFWSA-N 2 0 309.211 1.868 10 0 DDAERP O=S1(=O)CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093494708 193260271 /nfs/dbraw/zinc/26/02/71/193260271.db2.gz GWEHZABOWAMGPI-OWCLPIDISA-N 2 0 314.495 1.854 10 0 DDAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000093516538 193262689 /nfs/dbraw/zinc/26/26/89/193262689.db2.gz KGCBFTKNTGEBAR-STQMWFEESA-N 2 0 305.488 1.215 10 0 DDAERP CC[NH2+][C@]1(CO)CCC[C@H]([N@H+](CCCOC)CCOC)C1 ZINC000093783167 193307544 /nfs/dbraw/zinc/30/75/44/193307544.db2.gz HYOMQLGUQQIIGD-JKSUJKDBSA-N 2 0 302.459 1.255 10 0 DDAERP CS(=O)(=O)[C@H]1CCC[C@@H]([NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000094638903 193387849 /nfs/dbraw/zinc/38/78/49/193387849.db2.gz OIMKPBRIWSONLG-HIFRSBDPSA-N 2 0 318.483 1.172 10 0 DDAERP C[N@H+](CCC1CC[NH2+]CC1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094645194 193389608 /nfs/dbraw/zinc/38/96/08/193389608.db2.gz HBMJEAKLYQMTDO-GJZGRUSLSA-N 2 0 302.484 1.664 10 0 DDAERP CN(CC1([NH+](C)C)CCC1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000097932308 193767405 /nfs/dbraw/zinc/76/74/05/193767405.db2.gz MKTRDYLDSFQANQ-ZDUSSCGKSA-N 2 0 307.360 1.471 10 0 DDAERP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(N)=O ZINC000111145911 194395792 /nfs/dbraw/zinc/39/57/92/194395792.db2.gz YVKZLTUXJLUTEU-MRXNPFEDSA-N 3 0 300.491 1.282 10 0 DDAERP CC[NH2+]C(C)(C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000061296597 184167994 /nfs/dbraw/zinc/16/79/94/184167994.db2.gz REFDDOCMHFQZHG-UHFFFAOYSA-N 3 0 300.491 1.107 10 0 DDAERP Cc1nn(-c2ccccc2)c(C)c1[C@@H](C[NH3+])N1CC[NH+](C)CC1 ZINC000053994325 407176231 /nfs/dbraw/zinc/17/62/31/407176231.db2.gz AMVBXEKAWYPGSI-QGZVFWFLSA-N 2 0 313.449 1.736 10 0 DDAERP CCN(C(C)=O)c1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000261616116 407553718 /nfs/dbraw/zinc/55/37/18/407553718.db2.gz FTLRDHDJHMTYMN-IACUBPJLSA-N 2 0 308.451 1.685 10 0 DDAERP [NH3+]C[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccccc2)C1 ZINC000261722987 407591585 /nfs/dbraw/zinc/59/15/85/407591585.db2.gz LZUGUJICQDGPFT-ZDUSSCGKSA-N 2 0 308.389 1.991 10 0 DDAERP CC1CC[NH+](CCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113591618 407519302 /nfs/dbraw/zinc/51/93/02/407519302.db2.gz BNQLBBSCDQZHEB-HOTGVXAUSA-N 2 0 308.470 1.596 10 0 DDAERP CC[NH+](CC)Cc1cccc(CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261944587 407684775 /nfs/dbraw/zinc/68/47/75/407684775.db2.gz XYJATDZCHFUMEJ-UHFFFAOYSA-N 2 0 319.449 1.653 10 0 DDAERP COC[C@@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000262342534 407806112 /nfs/dbraw/zinc/80/61/12/407806112.db2.gz IBQWBYTYSREXRH-WTTBNOFXSA-N 2 0 319.449 1.233 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000262413936 407828559 /nfs/dbraw/zinc/82/85/59/407828559.db2.gz QXGVHSQKQQKDTG-CQSZACIVSA-N 2 0 323.462 1.456 10 0 DDAERP CC(C)(C)c1cc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000262566243 407867721 /nfs/dbraw/zinc/86/77/21/407867721.db2.gz WREZNEDFDLQUHC-SRVKXCTJSA-N 2 0 306.410 1.580 10 0 DDAERP CC[C@@H]1CN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1CCOC ZINC000262729049 407911071 /nfs/dbraw/zinc/91/10/71/407911071.db2.gz BGTXMWRJMGORIJ-INMHGKMJSA-N 2 0 311.470 1.463 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000246189440 408170353 /nfs/dbraw/zinc/17/03/53/408170353.db2.gz MJJLYYQDSHIUFK-IRXDYDNUSA-N 2 0 322.497 1.987 10 0 DDAERP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COCc2ccccc2)CCN1C ZINC000175763099 408199350 /nfs/dbraw/zinc/19/93/50/408199350.db2.gz GHYNOPJBSUCGNN-NXHRZFHOSA-N 2 0 306.450 1.979 10 0 DDAERP COC[C@@H](Cc1ccccc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151296891 408292356 /nfs/dbraw/zinc/29/23/56/408292356.db2.gz HZBGLDSHSSCXRN-MSOLQXFVSA-N 2 0 306.450 1.681 10 0 DDAERP C[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171901498 162245769 /nfs/dbraw/zinc/24/57/69/162245769.db2.gz AMQNPBICGKKCAC-QGZVFWFLSA-N 2 0 316.449 1.738 10 0 DDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247601498 408497416 /nfs/dbraw/zinc/49/74/16/408497416.db2.gz UPNSEGHHPYUVAM-TWMKSMIVSA-N 2 0 322.497 1.842 10 0 DDAERP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000183714034 408472865 /nfs/dbraw/zinc/47/28/65/408472865.db2.gz ZUEFNKWCAFXHCX-KBPBESRZSA-N 2 0 300.443 1.543 10 0 DDAERP CCC[C@@H](C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1)[NH+](C)C ZINC000162017159 408661196 /nfs/dbraw/zinc/66/11/96/408661196.db2.gz VDTZQPCQPACXQL-HNNXBMFYSA-N 2 0 320.437 1.469 10 0 DDAERP C[N@H+](CCOCC(F)F)C1CCN(CCn2cccn2)CC1 ZINC000189182332 163088401 /nfs/dbraw/zinc/08/84/01/163088401.db2.gz ABTVXUDULYCOBO-UHFFFAOYSA-N 2 0 316.396 1.561 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000246126162 287221648 /nfs/dbraw/zinc/22/16/48/287221648.db2.gz ANGRUYHRELSXEW-KCYZZUKISA-N 2 0 320.481 1.880 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000638835607 423147841 /nfs/dbraw/zinc/14/78/41/423147841.db2.gz MXQQPYKUAQJRFP-BPQIPLTHSA-N 2 0 315.461 1.870 10 0 DDAERP C[N@H+](CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)Cc1ccccc1 ZINC000634766118 422628567 /nfs/dbraw/zinc/62/85/67/422628567.db2.gz RTJDERQWBHAVEB-WMZOPIPTSA-N 2 0 301.434 1.624 10 0 DDAERP COC[C@@]1(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000643787876 423342506 /nfs/dbraw/zinc/34/25/06/423342506.db2.gz JXTKMCGPKBPOSV-CRAIPNDOSA-N 2 0 319.449 1.392 10 0 DDAERP C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]c3ccccc32)CC1 ZINC000253495278 277112420 /nfs/dbraw/zinc/11/24/20/277112420.db2.gz SZKYPTCBAVFCNH-UHFFFAOYSA-N 2 0 312.417 1.823 10 0 DDAERP C[C@H]([NH3+])CC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000261713369 278224572 /nfs/dbraw/zinc/22/45/72/278224572.db2.gz DOHYEOHYRBBWSX-SOUVJXGZSA-N 2 0 311.470 1.462 10 0 DDAERP C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000333937763 290542507 /nfs/dbraw/zinc/54/25/07/290542507.db2.gz LWQGQRPILXDSSG-XJKSGUPXSA-N 2 0 308.470 1.630 10 0 DDAERP [NH3+]C1CCC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000397507864 302355176 /nfs/dbraw/zinc/35/51/76/302355176.db2.gz KMKZNYVCFVBYAM-UHFFFAOYSA-N 3 0 317.477 1.873 10 0 DDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000261795503 303467015 /nfs/dbraw/zinc/46/70/15/303467015.db2.gz MGAAIDBJITWJDO-LLLHUVSDSA-N 2 0 319.424 1.905 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244143 484027836 /nfs/dbraw/zinc/02/78/36/484027836.db2.gz KEHVFBWGSLFTCD-WCQYABFASA-N 2 0 309.376 1.621 10 0 DDAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261704332 484254740 /nfs/dbraw/zinc/25/47/40/484254740.db2.gz FWJBNQZODHYMHE-GDBMZVCRSA-N 2 0 311.470 1.367 10 0 DDAERP [NH3+]C1CCC([NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000422979940 534560925 /nfs/dbraw/zinc/56/09/25/534560925.db2.gz NXWQUFRFNBCXBK-DAWZGUTISA-N 2 0 303.450 1.483 10 0 DDAERP CC[C@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000155964412 523216734 /nfs/dbraw/zinc/21/67/34/523216734.db2.gz CQOXGWQRBYSUOZ-ZBFHGGJFSA-N 2 0 311.470 1.070 10 0 DDAERP CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261554195 698427800 /nfs/dbraw/zinc/42/78/00/698427800.db2.gz UAXUXBAJMMZESG-IXDOHACOSA-N 2 0 301.434 1.847 10 0 DDAERP O[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716621709 699283121 /nfs/dbraw/zinc/28/31/21/699283121.db2.gz SMTNLNNYIAKVQQ-XCDZQEORSA-N 2 0 316.445 1.779 10 0 DDAERP C[C@H](O)C[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000249461281 282157518 /nfs/dbraw/zinc/15/75/18/282157518.db2.gz ZMUCUTVGEARTSK-CVEARBPZSA-N 2 0 323.456 1.644 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)NCC2CC[NH+](C)CC2)o1 ZINC000088543178 185256319 /nfs/dbraw/zinc/25/63/19/185256319.db2.gz SVNBDSBJIGFWFR-UHFFFAOYSA-N 2 0 315.439 1.009 10 0 DDAERP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000092626652 185329859 /nfs/dbraw/zinc/32/98/59/185329859.db2.gz CHPGBUOPSADLDA-OAHLLOKOSA-N 2 0 311.451 1.001 10 0 DDAERP CC(C)[NH2+]CCCCS(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092679042 185333649 /nfs/dbraw/zinc/33/36/49/185333649.db2.gz IPCUSZPAIVCATL-CQSZACIVSA-N 2 0 305.488 1.120 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)C1([NH3+])CCOCC1)c1ccc(F)cc1 ZINC000261919514 282289408 /nfs/dbraw/zinc/28/94/08/282289408.db2.gz UTZUWJGAKQTBNE-CQSZACIVSA-N 2 0 309.385 1.053 10 0 DDAERP CN1CC[NH+](CCCCN2Cc3ccccc3[C@H]2C[NH3+])CC1 ZINC000071683190 191007495 /nfs/dbraw/zinc/00/74/95/191007495.db2.gz AFDLOXVVUYSJJD-GOSISDBHSA-N 2 0 302.466 1.530 10 0 DDAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)C2CC[NH2+]CC2)c1 ZINC000237153229 202168656 /nfs/dbraw/zinc/16/86/56/202168656.db2.gz YTYRYHXQGGWXQH-UHFFFAOYSA-N 2 0 303.450 1.885 10 0 DDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000237887363 202379140 /nfs/dbraw/zinc/37/91/40/202379140.db2.gz QZNKIIFGULLSDM-GJZGRUSLSA-N 2 0 309.454 1.217 10 0 DDAERP CC1(C)CSC[C@H]([N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)C1 ZINC000094490237 193373560 /nfs/dbraw/zinc/37/35/60/193373560.db2.gz NSHLWSNFWPVXOJ-ZIAGYGMSSA-N 2 0 311.495 1.414 10 0 DDAERP C[NH+](C)CCN1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000061655503 184181202 /nfs/dbraw/zinc/18/12/02/184181202.db2.gz YEBWUPGQLPVBTP-LBPRGKRZSA-N 2 0 309.483 1.163 10 0 DDAERP COc1ccc(CCC(=O)NCCC[NH2+]CCCC[NH3+])cc1 ZINC000013763983 406867106 /nfs/dbraw/zinc/86/71/06/406867106.db2.gz XZYBUBZKUTUGGQ-UHFFFAOYSA-N 2 0 307.438 1.463 10 0 DDAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000106916096 407367465 /nfs/dbraw/zinc/36/74/65/407367465.db2.gz NZYWLTNCVFYWIE-DLBZAZTESA-N 2 0 303.450 1.712 10 0 DDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261726287 407594003 /nfs/dbraw/zinc/59/40/03/407594003.db2.gz CRAPMHGKXFCJES-IIAWOOMASA-N 2 0 311.470 1.225 10 0 DDAERP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000262021608 407714932 /nfs/dbraw/zinc/71/49/32/407714932.db2.gz XSWCRJYOBOECHC-ZFWWWQNUSA-N 2 0 300.406 1.200 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000262285944 407785797 /nfs/dbraw/zinc/78/57/97/407785797.db2.gz MICNWPUMRLAPSI-INIZCTEOSA-N 2 0 305.422 1.627 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000262303654 407789963 /nfs/dbraw/zinc/78/99/63/407789963.db2.gz ODRBTRPVSVWLET-HNNXBMFYSA-N 2 0 323.462 1.190 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000245591074 408020581 /nfs/dbraw/zinc/02/05/81/408020581.db2.gz BBRAGOJGTFVJHB-BRWVUGGUSA-N 2 0 322.497 1.987 10 0 DDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000263097192 408023079 /nfs/dbraw/zinc/02/30/79/408023079.db2.gz YYXWEKVNRKUHTE-SNPRPXQTSA-N 2 0 323.387 1.935 10 0 DDAERP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263206535 408056889 /nfs/dbraw/zinc/05/68/89/408056889.db2.gz JTWPETGEIRFHKM-MPKXVKKWSA-N 2 0 302.340 1.806 10 0 DDAERP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ncn1 ZINC000246441302 408256800 /nfs/dbraw/zinc/25/68/00/408256800.db2.gz ONIXSRLPSFWEIY-RRFJBIMHSA-N 2 0 318.469 1.559 10 0 DDAERP CCC[C@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166607421 162168814 /nfs/dbraw/zinc/16/88/14/162168814.db2.gz ZRJDSGMOJVGPCF-XHSDSOJGSA-N 2 0 310.486 1.131 10 0 DDAERP CCC[C@@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166607534 162169416 /nfs/dbraw/zinc/16/94/16/162169416.db2.gz ZRJDSGMOJVGPCF-OWCLPIDISA-N 2 0 310.486 1.131 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000247098308 408406297 /nfs/dbraw/zinc/40/62/97/408406297.db2.gz IALISERXIRORQR-CRAIPNDOSA-N 2 0 306.450 1.745 10 0 DDAERP CC(C)[NH+](CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)C(C)C ZINC000247479123 408479111 /nfs/dbraw/zinc/47/91/11/408479111.db2.gz SLHUVUNPIZADMQ-HOTGVXAUSA-N 2 0 310.486 1.983 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000194175741 163276305 /nfs/dbraw/zinc/27/63/05/163276305.db2.gz NSIHLSYTJHBGJN-QGZVFWFLSA-N 2 0 322.497 1.988 10 0 DDAERP [NH3+]C1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCOCC1 ZINC000261775116 295201300 /nfs/dbraw/zinc/20/13/00/295201300.db2.gz GZLPULDHOBEZLK-UHFFFAOYSA-N 2 0 317.433 1.229 10 0 DDAERP COCCN1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H]1C ZINC000168032907 298217787 /nfs/dbraw/zinc/21/77/87/298217787.db2.gz RSWJEAGFAFKMOV-PBHICJAKSA-N 2 0 317.433 1.053 10 0 DDAERP OC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397492374 302354974 /nfs/dbraw/zinc/35/49/74/302354974.db2.gz AJRMNTHGGRLGEK-GOSISDBHSA-N 3 0 317.477 1.745 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000573593246 308246081 /nfs/dbraw/zinc/24/60/81/308246081.db2.gz LZLIULACBZIRQO-UHOSZYNNSA-N 2 0 317.477 1.865 10 0 DDAERP C[NH+](C)C[C@H](O)CC1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000381925273 337868246 /nfs/dbraw/zinc/86/82/46/337868246.db2.gz PNTIFCOKHVTAQU-CYBMUJFWSA-N 2 0 315.458 1.275 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000227455110 484161295 /nfs/dbraw/zinc/16/12/95/484161295.db2.gz QLGBRFHDCWFCJI-NQBHXWOUSA-N 2 0 305.344 1.224 10 0 DDAERP CCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309773567 484379439 /nfs/dbraw/zinc/37/94/39/484379439.db2.gz IHRPPAAIFTYJJH-ZSYWTGECSA-N 2 0 318.461 1.884 10 0 DDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000157927168 519695103 /nfs/dbraw/zinc/69/51/03/519695103.db2.gz JRDBTQWUNYXIEL-OWCLPIDISA-N 2 0 310.486 1.746 10 0 DDAERP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000174231912 535449594 /nfs/dbraw/zinc/44/95/94/535449594.db2.gz YGPTZRJUNGANEP-MRXNPFEDSA-N 2 0 310.486 1.892 10 0 DDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3C)C2)[C@@H]1C(C)C ZINC000888097741 709212614 /nfs/dbraw/zinc/21/26/14/709212614.db2.gz NSTSURPEHZFDBH-BDXSIMOUSA-N 2 0 320.481 1.688 10 0 DDAERP C[NH+](C)CCCCNc1nc(NN)[nH+]cc1Br ZINC000087868661 185234073 /nfs/dbraw/zinc/23/40/73/185234073.db2.gz OCPASNUIAZYPRT-UHFFFAOYSA-N 2 0 303.208 1.278 10 0 DDAERP CC[C@@H](C)[NH+]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000111247039 185563860 /nfs/dbraw/zinc/56/38/60/185563860.db2.gz PESSXFDVTSMBRK-YPMHNXCESA-N 2 0 307.360 1.471 10 0 DDAERP CC[NH+]1CCN(CCCN2Cc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000071682986 191007468 /nfs/dbraw/zinc/00/74/68/191007468.db2.gz LMFKBEIRROEEJB-SFHVURJKSA-N 2 0 302.466 1.530 10 0 DDAERP C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000180492936 199165710 /nfs/dbraw/zinc/16/57/10/199165710.db2.gz PATBRZLYHYBMES-CRAIPNDOSA-N 2 0 321.465 1.608 10 0 DDAERP O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(CN2CCOCC2)cc1 ZINC000194018355 201163583 /nfs/dbraw/zinc/16/35/83/201163583.db2.gz BCPXZUFROHQSOJ-MRXNPFEDSA-N 2 0 303.406 1.599 10 0 DDAERP CCC(CC)[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH+](C)C ZINC000091138172 193002374 /nfs/dbraw/zinc/00/23/74/193002374.db2.gz QMLBPELYYVUAGA-ZIAGYGMSSA-N 2 0 301.500 1.564 10 0 DDAERP c1ccc(C[NH+]2CCN(CC[C@@H]3CSCC[NH2+]3)CC2)cc1 ZINC000091291959 193032804 /nfs/dbraw/zinc/03/28/04/193032804.db2.gz QDARXOPRMZMJLD-QGZVFWFLSA-N 2 0 305.491 1.899 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@H]([NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000094638900 193388062 /nfs/dbraw/zinc/38/80/62/193388062.db2.gz OIMKPBRIWSONLG-DZGCQCFKSA-N 2 0 318.483 1.172 10 0 DDAERP [NH3+]Cc1ccccc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062968017 184263636 /nfs/dbraw/zinc/26/36/36/184263636.db2.gz QIEVRIPNFMVWNG-CQSZACIVSA-N 2 0 309.435 1.004 10 0 DDAERP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2C[C@@H]2CCOC2)N1CC[NH+]1CCCC1 ZINC000248071508 257110085 /nfs/dbraw/zinc/11/00/85/257110085.db2.gz YHJWVJBUGLKXFQ-GVDBMIGSSA-N 2 0 321.465 1.184 10 0 DDAERP CCc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)nc1 ZINC000067833529 407286493 /nfs/dbraw/zinc/28/64/93/407286493.db2.gz BDTDYCIHNMGBHO-UHFFFAOYSA-N 2 0 302.466 1.856 10 0 DDAERP C[NH+](C)[C@H]1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000170826866 407518306 /nfs/dbraw/zinc/51/83/06/407518306.db2.gz JSHMDXFJCYXVNJ-KRWDZBQOSA-N 2 0 318.465 1.854 10 0 DDAERP C[C@@H]1CCC[C@](CNC(=O)N2CC[C@H]([NH+](C)C)C2)([NH+](C)C)C1 ZINC000170833146 407525287 /nfs/dbraw/zinc/52/52/87/407525287.db2.gz UXFHRPQDLPXSDI-VYDXJSESSA-N 2 0 310.486 1.842 10 0 DDAERP COCC[N@H+](C)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000171193062 407623730 /nfs/dbraw/zinc/62/37/30/407623730.db2.gz BYHIWPLBQPYDKT-INIZCTEOSA-N 2 0 322.453 1.167 10 0 DDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261897996 407658930 /nfs/dbraw/zinc/65/89/30/407658930.db2.gz HIRITJWGSZBRNU-KSZLIROESA-N 2 0 309.498 1.855 10 0 DDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261897998 407661181 /nfs/dbraw/zinc/66/11/81/407661181.db2.gz HIRITJWGSZBRNU-KURKYZTESA-N 2 0 309.498 1.855 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000262310096 407792665 /nfs/dbraw/zinc/79/26/65/407792665.db2.gz OYZCTIPEWGYHOI-PBHICJAKSA-N 2 0 319.449 1.508 10 0 DDAERP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(OC)c1OC ZINC000262529716 407859221 /nfs/dbraw/zinc/85/92/21/407859221.db2.gz PKCAFOXKNOFYOV-IHRRRGAJSA-N 2 0 306.406 1.882 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000246422754 408251327 /nfs/dbraw/zinc/25/13/27/408251327.db2.gz MARIJKSFXHDGFP-SJORKVTESA-N 2 0 322.497 1.988 10 0 DDAERP CC[C@@H]1CN(Cc2nccc(OC)c2OC)CC[N@@H+]1C[C@@H](C)O ZINC000190523390 408269142 /nfs/dbraw/zinc/26/91/42/408269142.db2.gz OSUOTQIKAPQQSQ-ZIAGYGMSSA-N 2 0 323.437 1.376 10 0 DDAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)[C@H](C)C1 ZINC000246559248 408292120 /nfs/dbraw/zinc/29/21/20/408292120.db2.gz XATSDZVKLFQPID-PMPSAXMXSA-N 2 0 303.454 1.765 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247352266 408457148 /nfs/dbraw/zinc/45/71/48/408457148.db2.gz OBJHXOYTGZMDMI-OAGGEKHMSA-N 2 0 310.486 1.746 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000262372334 163816789 /nfs/dbraw/zinc/81/67/89/163816789.db2.gz XOIDAAXOXZJUED-INIZCTEOSA-N 2 0 305.422 1.262 10 0 DDAERP COC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000638513716 422937827 /nfs/dbraw/zinc/93/78/27/422937827.db2.gz NDNIXFRYYSZAQW-IRXDYDNUSA-N 2 0 319.449 1.329 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000638837277 423151211 /nfs/dbraw/zinc/15/12/11/423151211.db2.gz YRXIXPQQPHZHIQ-NRSFXHEJSA-N 2 0 315.461 1.998 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247004756 288302916 /nfs/dbraw/zinc/30/29/16/288302916.db2.gz KXSRRURSXOGFEG-FXUDXRNXSA-N 2 0 308.470 1.737 10 0 DDAERP Cc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(-c2ccnn2C)c1 ZINC000262093673 484262717 /nfs/dbraw/zinc/26/27/17/484262717.db2.gz HJFBFWUBWUHUOD-WMLDXEAASA-N 2 0 300.406 1.065 10 0 DDAERP C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C[N@@H+]1C1CC1 ZINC000246179064 291075022 /nfs/dbraw/zinc/07/50/22/291075022.db2.gz GWMRQRUCYSONFG-DSJMHWKBSA-N 2 0 306.454 1.490 10 0 DDAERP Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1C[NH3+] ZINC000091428096 193055392 /nfs/dbraw/zinc/05/53/92/193055392.db2.gz VGWIIULHUZWWKK-CQSZACIVSA-N 2 0 311.451 1.168 10 0 DDAERP CC(C)(C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000093520483 193262784 /nfs/dbraw/zinc/26/27/84/193262784.db2.gz UMSUCIGQJCGINB-MELADBBJSA-N 2 0 302.484 1.710 10 0 DDAERP CCC[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC(C)(C)C[NH3+] ZINC000093891796 193323908 /nfs/dbraw/zinc/32/39/08/193323908.db2.gz PMUBLMDKQIIYHA-AWEZNQCLSA-N 2 0 319.515 1.355 10 0 DDAERP CCOC(=O)CCCCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072979 193343591 /nfs/dbraw/zinc/34/35/91/193343591.db2.gz FJPFEQVFEAXARI-UHFFFAOYSA-N 2 0 300.443 1.940 10 0 DDAERP [NH3+]C[C@@H](c1ccc(Br)o1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094458746 193371010 /nfs/dbraw/zinc/37/10/10/193371010.db2.gz XWJUPPPLKQEUJG-MNOVXSKESA-N 2 0 314.227 1.822 10 0 DDAERP CC1CC[NH+](CCCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105090810 194071907 /nfs/dbraw/zinc/07/19/07/194071907.db2.gz YNPOUJWEIGNKFX-QGZVFWFLSA-N 2 0 322.497 1.988 10 0 DDAERP [NH3+]Cc1ccc(CS(=O)(=O)NCC[NH+]2CCCCC2)cc1 ZINC000049575322 183743350 /nfs/dbraw/zinc/74/33/50/183743350.db2.gz OTZMDPUDZNPSTB-UHFFFAOYSA-N 2 0 311.451 1.051 10 0 DDAERP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)CCC[NH2+]C(C)C)C1 ZINC000110389707 194327352 /nfs/dbraw/zinc/32/73/52/194327352.db2.gz BAZHRZUNQOYOKV-AWEZNQCLSA-N 2 0 305.488 1.120 10 0 DDAERP Cc1ccsc1[C@H]([C@@H](C)[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061642364 184180450 /nfs/dbraw/zinc/18/04/50/184180450.db2.gz VBAFQIJKJHGSPT-CABCVRRESA-N 2 0 310.511 1.624 10 0 DDAERP CC[NH+](CC)CCOCCNC(=O)[C@@H](c1ccccc1)N(C)C ZINC000062272096 184226900 /nfs/dbraw/zinc/22/69/00/184226900.db2.gz GCYPRFWTKYYETC-QGZVFWFLSA-N 2 0 321.465 1.764 10 0 DDAERP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCCc3sccc32)C1 ZINC000063178275 184276551 /nfs/dbraw/zinc/27/65/51/184276551.db2.gz AWVCXXLMZYNGPT-GXTWGEPZSA-N 2 0 307.463 1.912 10 0 DDAERP C[C@@H](O)C1CC[NH+](C/C=C/C[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000111284519 407406018 /nfs/dbraw/zinc/40/60/18/407406018.db2.gz KWMDZKJFDQATIY-ZOSBBBERSA-N 2 0 310.482 1.728 10 0 DDAERP [NH3+]C1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000261574905 407545033 /nfs/dbraw/zinc/54/50/33/407545033.db2.gz BIBQGLWELCKROM-DAWZGUTISA-N 2 0 303.450 1.747 10 0 DDAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)C3([NH3+])CCOCC3)C2)CC1 ZINC000261784833 407612736 /nfs/dbraw/zinc/61/27/36/407612736.db2.gz HRCVZNIJXPUQGP-MRXNPFEDSA-N 2 0 323.481 1.465 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000179147307 407737840 /nfs/dbraw/zinc/73/78/40/407737840.db2.gz ZCAUVITWWGJUBN-HZPDHXFCSA-N 2 0 308.470 1.596 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000262308000 407794865 /nfs/dbraw/zinc/79/48/65/407794865.db2.gz ORNRCDUYHSIORN-ZBFHGGJFSA-N 2 0 319.449 1.740 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1NCCc2ccccc21 ZINC000174534367 407960720 /nfs/dbraw/zinc/96/07/20/407960720.db2.gz AWOJCUNHUKAACV-RDJZCZTQSA-N 2 0 301.434 1.816 10 0 DDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000246434702 408256541 /nfs/dbraw/zinc/25/65/41/408256541.db2.gz NLVBLXWMJCTEOG-UONOGXRCSA-N 2 0 322.457 1.295 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246292483 408207688 /nfs/dbraw/zinc/20/76/88/408207688.db2.gz KXZAMPPZNWOAMI-BZUAXINKSA-N 2 0 312.502 1.944 10 0 DDAERP C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182948559 408291380 /nfs/dbraw/zinc/29/13/80/408291380.db2.gz GZAUMKLXOUROHK-ZOBUZTSGSA-N 2 0 322.497 1.985 10 0 DDAERP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)[C@@H](C)C1 ZINC000246559247 408291864 /nfs/dbraw/zinc/29/18/64/408291864.db2.gz XATSDZVKLFQPID-JYJNAYRXSA-N 2 0 303.454 1.765 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000247319689 408450313 /nfs/dbraw/zinc/45/03/13/408450313.db2.gz ONOKGSJLONIIFI-IIAWOOMASA-N 2 0 306.454 1.349 10 0 DDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000247511121 408483055 /nfs/dbraw/zinc/48/30/55/408483055.db2.gz YJBAMXRBUPDQBO-WMLDXEAASA-N 2 0 322.497 1.889 10 0 DDAERP CCC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)[NH+](C)C ZINC000162128281 408674320 /nfs/dbraw/zinc/67/43/20/408674320.db2.gz MNKVSIGZLQEKGV-CVEARBPZSA-N 2 0 312.502 1.107 10 0 DDAERP CCN(CC)C(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516107 163326864 /nfs/dbraw/zinc/32/68/64/163326864.db2.gz IRQDHAZXXAUQAY-OAHLLOKOSA-N 2 0 304.438 1.992 10 0 DDAERP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261870348 287014147 /nfs/dbraw/zinc/01/41/47/287014147.db2.gz DDDSBGVFXFARPC-TVFCKZIOSA-N 2 0 309.498 1.998 10 0 DDAERP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638511894 422937187 /nfs/dbraw/zinc/93/71/87/422937187.db2.gz CHEPYMIVDGTPJE-ZWKOTPCHSA-N 2 0 315.461 1.965 10 0 DDAERP C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000390753698 418755643 /nfs/dbraw/zinc/75/56/43/418755643.db2.gz UMOUGSIABRKFCX-SJLPKXTDSA-N 2 0 301.434 1.909 10 0 DDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000379454602 418727078 /nfs/dbraw/zinc/72/70/78/418727078.db2.gz MMZNYQBWLLPRJW-IRXDYDNUSA-N 2 0 303.450 1.952 10 0 DDAERP COC[C@@]1(C(=O)NCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649305859 423738947 /nfs/dbraw/zinc/73/89/47/423738947.db2.gz INXANEKDPDSMSS-QGZVFWFLSA-N 2 0 305.422 1.003 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000665283249 424773622 /nfs/dbraw/zinc/77/36/22/424773622.db2.gz JZFBWQQSJRZNFU-QXAKKESOSA-N 2 0 316.493 1.390 10 0 DDAERP CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175191655 279342034 /nfs/dbraw/zinc/34/20/34/279342034.db2.gz YYSQJMQUAOKLTN-CABCVRRESA-N 2 0 313.486 1.266 10 0 DDAERP CC[NH+]1CCN(c2ccccc2CN2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000262032231 279375630 /nfs/dbraw/zinc/37/56/30/279375630.db2.gz ODZWRRJFBBFTFR-DOTOQJQBSA-N 2 0 302.466 1.608 10 0 DDAERP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000397445304 302354585 /nfs/dbraw/zinc/35/45/85/302354585.db2.gz KFNLPQIEEXTRSZ-UONOGXRCSA-N 2 0 313.442 1.212 10 0 DDAERP c1ccc2c(c1)CC[C@H](C[NH2+]CCCNC1=[NH+]CCCN1)O2 ZINC000001536693 483917384 /nfs/dbraw/zinc/91/73/84/483917384.db2.gz QVSXOXCYXPQXMF-OAHLLOKOSA-N 2 0 302.422 1.299 10 0 in-man DDAERP Cc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(-c2ccnn2C)c1 ZINC000262093668 484262642 /nfs/dbraw/zinc/26/26/42/484262642.db2.gz HJFBFWUBWUHUOD-PBHICJAKSA-N 2 0 300.406 1.065 10 0 DDAERP OCCOCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000305879634 698659543 /nfs/dbraw/zinc/65/95/43/698659543.db2.gz TZJGHYHREYGIAP-FGTMMUONSA-N 2 0 304.434 1.496 10 0 DDAERP COc1ccc([C@H](CNC(=O)CSCC[NH3+])[NH+](C)C)cc1 ZINC000096754760 185386420 /nfs/dbraw/zinc/38/64/20/185386420.db2.gz ZTWSGPRDCDAYRT-AWEZNQCLSA-N 2 0 311.451 1.106 10 0 DDAERP CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C[NH2+]C)o2)CC1 ZINC000088544275 185256873 /nfs/dbraw/zinc/25/68/73/185256873.db2.gz ITDFZQZWGPUJFB-UHFFFAOYSA-N 2 0 315.439 1.104 10 0 DDAERP CN(CCC[NH+](C)C)S(=O)(=O)c1cc(C[NH3+])ccc1Cl ZINC000089037491 192713406 /nfs/dbraw/zinc/71/34/06/192713406.db2.gz IZIQPQXPQILWKI-UHFFFAOYSA-N 2 0 319.858 1.371 10 0 DDAERP CCCS(=O)(=O)N1CCC([NH2+][C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000093464820 193256347 /nfs/dbraw/zinc/25/63/47/193256347.db2.gz COZKIQJHKRSGFU-UKRRQHHQSA-N 2 0 317.499 1.311 10 0 DDAERP CCC[NH2+][C@]1(CO)CC[C@@H]([N@H+](CCOC)[C@@H](C)COC)C1 ZINC000093857015 193320181 /nfs/dbraw/zinc/32/01/81/193320181.db2.gz IARUJLLIRSRSMF-ARFHVFGLSA-N 2 0 302.459 1.253 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634707 193386447 /nfs/dbraw/zinc/38/64/47/193386447.db2.gz FFQBTSMQDQNGNN-STQMWFEESA-N 2 0 320.524 1.499 10 0 DDAERP C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000333750460 249092271 /nfs/dbraw/zinc/09/22/71/249092271.db2.gz YXHJWWXGCNNHEV-MXASKKJJSA-N 2 0 316.449 1.511 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)CCC[NH2+]C(C)C ZINC000049646425 183752036 /nfs/dbraw/zinc/75/20/36/183752036.db2.gz RTRQPORYSFIXKR-AWEZNQCLSA-N 2 0 307.504 1.270 10 0 DDAERP CCc1nc(N(C)CC[NH+](C)C)sc1C[NH2+]CCOC ZINC000111151836 194396473 /nfs/dbraw/zinc/39/64/73/194396473.db2.gz XIFURDYBUGVMSE-UHFFFAOYSA-N 2 0 300.472 1.439 10 0 DDAERP COCC[NH2+]Cc1sc(N2CCC[C@@H]2C[NH+](C)C)nc1C ZINC000061655599 184181073 /nfs/dbraw/zinc/18/10/73/184181073.db2.gz VHCSUKJCAMIWGE-CYBMUJFWSA-N 2 0 312.483 1.718 10 0 DDAERP CN(Cc1csc(Br)c1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990584 184200118 /nfs/dbraw/zinc/20/01/18/184200118.db2.gz GBUBVITVYIFBGM-LBPRGKRZSA-N 2 0 318.284 1.975 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103605966 407342796 /nfs/dbraw/zinc/34/27/96/407342796.db2.gz ORYHMVXAPXLJFZ-MRXNPFEDSA-N 2 0 312.502 1.946 10 0 DDAERP NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1COc1ccncc1 ZINC000257192402 407488037 /nfs/dbraw/zinc/48/80/37/407488037.db2.gz QOGMFSHRXMXIED-GOEBONIOSA-N 2 0 312.373 1.089 10 0 DDAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000113605689 407518512 /nfs/dbraw/zinc/51/85/12/407518512.db2.gz ITBAVCVTDSBHHD-IKGGRYGDSA-N 2 0 322.497 1.985 10 0 DDAERP [NH3+]C1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000261574904 407545632 /nfs/dbraw/zinc/54/56/32/407545632.db2.gz BIBQGLWELCKROM-ABHNRTSZSA-N 2 0 303.450 1.747 10 0 DDAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262134581 407746790 /nfs/dbraw/zinc/74/67/90/407746790.db2.gz YNUNNMXOYYOLBX-MSOLQXFVSA-N 2 0 302.466 1.835 10 0 DDAERP C[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000262133122 407749035 /nfs/dbraw/zinc/74/90/35/407749035.db2.gz YIYMFESRVVUFNE-YJBOKZPZSA-N 3 0 316.493 1.996 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000262269039 407779557 /nfs/dbraw/zinc/77/95/57/407779557.db2.gz KEJDLELVDABOGD-AWEZNQCLSA-N 2 0 323.462 1.456 10 0 DDAERP CN(Cc1ccccc1F)C(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262400150 407824565 /nfs/dbraw/zinc/82/45/65/407824565.db2.gz CEGMNMQIORKVET-BJJXKVORSA-N 2 0 305.397 1.453 10 0 DDAERP CCN(C)[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847385 408079645 /nfs/dbraw/zinc/07/96/45/408079645.db2.gz JZFQNLURJZGMMN-IRXDYDNUSA-N 2 0 301.434 1.986 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000246353096 408230558 /nfs/dbraw/zinc/23/05/58/408230558.db2.gz GGMHJRSWHMUOHT-RRFJBIMHSA-N 2 0 310.486 1.887 10 0 DDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246600286 408301064 /nfs/dbraw/zinc/30/10/64/408301064.db2.gz KNDKPGUABNETNQ-CVEARBPZSA-N 2 0 308.470 1.741 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3ccsc3n2)CC1 ZINC000171589296 162227430 /nfs/dbraw/zinc/22/74/30/162227430.db2.gz WSAQFFKPMGTEGS-CYBMUJFWSA-N 2 0 322.478 1.920 10 0 DDAERP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171906033 162246242 /nfs/dbraw/zinc/24/62/42/162246242.db2.gz KDQFAPWHGPJVSA-INIZCTEOSA-N 2 0 308.470 1.741 10 0 DDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247009339 408387998 /nfs/dbraw/zinc/38/79/98/408387998.db2.gz FTEHACYMDSBIFA-OWCLPIDISA-N 2 0 308.470 1.739 10 0 DDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000247313755 408449468 /nfs/dbraw/zinc/44/94/68/408449468.db2.gz OFQXEEQKSNBPES-BZUAXINKSA-N 2 0 308.470 1.596 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247278228 408441836 /nfs/dbraw/zinc/44/18/36/408441836.db2.gz KETJWCOQHHFIHC-BZUAXINKSA-N 2 0 310.486 1.841 10 0 DDAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247504337 408483665 /nfs/dbraw/zinc/48/36/65/408483665.db2.gz OGSRFKMXGVCTGA-IRXDYDNUSA-N 2 0 322.497 1.988 10 0 DDAERP CCOCCC[N@@H+]1CC[C@H](NCc2nnnn2C(C)C)[C@H](C)C1 ZINC000187014422 163002507 /nfs/dbraw/zinc/00/25/07/163002507.db2.gz UPPMVNVYAKZIPM-CABCVRRESA-N 2 0 324.473 1.481 10 0 DDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389864920 418750693 /nfs/dbraw/zinc/75/06/93/418750693.db2.gz GFROGLWGTQUFAL-OIISXLGYSA-N 2 0 303.450 1.997 10 0 DDAERP COC[C@@]1(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649281426 423717378 /nfs/dbraw/zinc/71/73/78/423717378.db2.gz IATDQUHHLORQER-GOSISDBHSA-N 2 0 319.449 1.393 10 0 DDAERP C([C@@H]1CCC[NH2+]C1)[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000261825435 275396424 /nfs/dbraw/zinc/39/64/24/275396424.db2.gz ISALXMDLTMUOIK-CQSZACIVSA-N 2 0 303.454 1.793 10 0 DDAERP CC1CC[NH+]([C@H](CNC(=O)C2C[NH2+]C2)c2cccs2)CC1 ZINC000263331066 278550746 /nfs/dbraw/zinc/55/07/46/278550746.db2.gz UYCQTZJHJYNKHR-CQSZACIVSA-N 2 0 307.463 1.857 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000245474079 279325855 /nfs/dbraw/zinc/32/58/55/279325855.db2.gz QNSPLVRMHXKZSM-ZBFHGGJFSA-N 2 0 308.470 1.596 10 0 DDAERP [NH3+]CCc1nc(C(=O)N2CCC([NH+]3CCCC3)CC2)cs1 ZINC000090951157 295240681 /nfs/dbraw/zinc/24/06/81/295240681.db2.gz ACKPEVSZLKYRFT-UHFFFAOYSA-N 2 0 308.451 1.345 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000400454079 302369924 /nfs/dbraw/zinc/36/99/24/302369924.db2.gz RWTQRTYRWKTWGH-JQHSSLGASA-N 2 0 303.450 1.475 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244140 484027339 /nfs/dbraw/zinc/02/73/39/484027339.db2.gz KEHVFBWGSLFTCD-YPMHNXCESA-N 2 0 309.376 1.621 10 0 DDAERP [NH3+][C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000261686192 698433261 /nfs/dbraw/zinc/43/32/61/698433261.db2.gz IQMPLMFMEFNLSF-BHYGNILZSA-N 2 0 301.434 1.720 10 0 DDAERP C[NH+](C)CC(C)(C)CNc1nc(NN)[nH+]cc1Br ZINC000087904679 185237283 /nfs/dbraw/zinc/23/72/83/185237283.db2.gz SHVDJHSFANNJDN-UHFFFAOYSA-N 2 0 317.235 1.524 10 0 DDAERP CC[NH+](CC)CCSc1c(C[NH2+]CCOC)c(C)nn1C ZINC000088735414 185263653 /nfs/dbraw/zinc/26/36/53/185263653.db2.gz LWOCXSQHADDVMH-UHFFFAOYSA-N 2 0 314.499 1.898 10 0 DDAERP C[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000092633797 185330342 /nfs/dbraw/zinc/33/03/42/185330342.db2.gz MEWUHVGPFDIQMI-OCCSQVGLSA-N 2 0 311.451 1.421 10 0 DDAERP CCC[NH2+]CCCCS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092680049 185333607 /nfs/dbraw/zinc/33/36/07/185333607.db2.gz LZVAVHRVHDKKGY-HNNXBMFYSA-N 2 0 319.515 1.512 10 0 DDAERP Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)sc1C[NH3+] ZINC000091429260 193054645 /nfs/dbraw/zinc/05/46/45/193054645.db2.gz XDAGRWYVOGZANE-LLVKDONJSA-N 2 0 317.480 1.230 10 0 DDAERP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1CSc2ccccc21 ZINC000092290432 193185487 /nfs/dbraw/zinc/18/54/87/193185487.db2.gz KUYSGXQBZSZKJO-CYBMUJFWSA-N 2 0 305.447 1.240 10 0 DDAERP C[C@@H](C[C@H]1CCCC[NH2+]1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000093473029 193257629 /nfs/dbraw/zinc/25/76/29/193257629.db2.gz NVHYXUHTEDOLRZ-GXTWGEPZSA-N 2 0 311.451 1.344 10 0 DDAERP CC[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638873 193387675 /nfs/dbraw/zinc/38/76/75/193387675.db2.gz FDVRQEQWFJVXDD-CVSAEHQPSA-N 2 0 302.484 1.934 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@@H]([N@H+](CC2CC[NH2+]CC2)C2CC2)C1 ZINC000094638898 193388338 /nfs/dbraw/zinc/38/83/38/193388338.db2.gz STWCWSNIJQOYOY-HZPDHXFCSA-N 2 0 314.495 1.806 10 0 DDAERP C1[NH2+]CC1N1CC[NH+]([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094384567 193367605 /nfs/dbraw/zinc/36/76/05/193367605.db2.gz BYEPTFOGBWKNDT-CQSZACIVSA-N 2 0 311.495 1.021 10 0 DDAERP C[NH2+]C1CCC([N@H+](C)[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634028 193385320 /nfs/dbraw/zinc/38/53/20/193385320.db2.gz XYEAKPHBBPXIIL-CVSAEHQPSA-N 2 0 302.484 1.805 10 0 DDAERP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333746564 249090040 /nfs/dbraw/zinc/09/00/40/249090040.db2.gz YKDDGDYZHUTGEH-SLBVQIDZSA-N 2 0 302.422 1.263 10 0 DDAERP Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CCN(CC[NH+](C)C)CC1 ZINC000061642367 184180514 /nfs/dbraw/zinc/18/05/14/184180514.db2.gz VBAFQIJKJHGSPT-GJZGRUSLSA-N 2 0 310.511 1.624 10 0 DDAERP C[NH2+][C@H](C)c1sc(N2CCN(CC[NH+](C)C)CC2)nc1C ZINC000061655484 184180889 /nfs/dbraw/zinc/18/08/89/184180889.db2.gz MQTLOZUMIFAQBB-GFCCVEGCSA-N 2 0 311.499 1.416 10 0 DDAERP O=S(=O)(CC[C@@H]1CCCC[NH2+]1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062943060 184261932 /nfs/dbraw/zinc/26/19/32/184261932.db2.gz LYNBGWNNCQPEIQ-LSDHHAIUSA-N 2 0 315.483 1.019 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccccc2C[NH3+])C1 ZINC000062968004 184263783 /nfs/dbraw/zinc/26/37/83/184263783.db2.gz JCVIMYJGHNHIQU-CQSZACIVSA-N 2 0 311.451 1.250 10 0 DDAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105129549 407352654 /nfs/dbraw/zinc/35/26/54/407352654.db2.gz GYNQMKWACYYZLS-JKSUJKDBSA-N 2 0 308.470 1.741 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000170829577 407521321 /nfs/dbraw/zinc/52/13/21/407521321.db2.gz DQNDLFNKPADEQF-QGZVFWFLSA-N 2 0 316.449 1.390 10 0 DDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261911216 407666925 /nfs/dbraw/zinc/66/69/25/407666925.db2.gz JAGOYGIXBMJWNN-ILOCAZANSA-N 2 0 309.498 1.996 10 0 DDAERP O=C(NC1CC1)c1noc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000262021987 407714826 /nfs/dbraw/zinc/71/48/26/407714826.db2.gz WFWNFFPMSGCXDH-CYBMUJFWSA-N 2 0 319.409 1.098 10 0 DDAERP Cc1ccc(N2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC000120719341 408142942 /nfs/dbraw/zinc/14/29/42/408142942.db2.gz KXVMGIUJINIBTG-INIZCTEOSA-N 2 0 303.454 1.781 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000246369348 408234682 /nfs/dbraw/zinc/23/46/82/408234682.db2.gz LVQYQEHFOLPAJW-RDJZCZTQSA-N 2 0 322.497 1.144 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000247376803 408459858 /nfs/dbraw/zinc/45/98/58/408459858.db2.gz PNHKJGVNSUPCLY-RBSFLKMASA-N 2 0 312.502 1.991 10 0 DDAERP CC(C)COC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247254307 408438951 /nfs/dbraw/zinc/43/89/51/408438951.db2.gz UGSQHOWQPYKDEW-RDJZCZTQSA-N 2 0 316.486 1.045 10 0 DDAERP CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247253823 408439397 /nfs/dbraw/zinc/43/93/97/408439397.db2.gz UDZLYQONVJZSER-KKUMJFAQSA-N 2 0 313.486 1.314 10 0 DDAERP CC(C)[NH+]1CCN(CCCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000249459669 408728913 /nfs/dbraw/zinc/72/89/13/408728913.db2.gz ZBFYDBOYGKQUEV-ROUUACIJSA-N 2 0 308.514 1.571 10 0 DDAERP CCC[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC000162210609 408679436 /nfs/dbraw/zinc/67/94/36/408679436.db2.gz MNSYCYCBSMHWSS-HOCLYGCPSA-N 2 0 311.470 1.334 10 0 DDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000192742193 163235761 /nfs/dbraw/zinc/23/57/61/163235761.db2.gz PEIBSWVYNIWNIW-QGZVFWFLSA-N 2 0 319.497 1.626 10 0 DDAERP CN(C(=O)[C@@]1(C)CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381885084 418729924 /nfs/dbraw/zinc/72/99/24/418729924.db2.gz PWQASMYVCJAKNA-FUHWJXTLSA-N 2 0 301.434 1.861 10 0 DDAERP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649278913 423715294 /nfs/dbraw/zinc/71/52/94/423715294.db2.gz NBOPPILJQWSHQC-AEFFLSMTSA-N 2 0 317.433 1.146 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1CC ZINC000261882476 276319659 /nfs/dbraw/zinc/31/96/59/276319659.db2.gz ZHZCJLLEMIVATC-BZUAXINKSA-N 2 0 311.470 1.321 10 0 DDAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])COC)c1cccc(OC)c1 ZINC000263248593 279163874 /nfs/dbraw/zinc/16/38/74/279163874.db2.gz NXQDASXJDGUVTA-JKSUJKDBSA-N 2 0 323.437 1.168 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCCCC1 ZINC000247650718 289355518 /nfs/dbraw/zinc/35/55/18/289355518.db2.gz WOAUNMNFXGJIFX-DLBZAZTESA-N 2 0 322.497 1.987 10 0 DDAERP [NH3+]C1(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCOCC1 ZINC000261764834 295202870 /nfs/dbraw/zinc/20/28/70/295202870.db2.gz QFSJFKVVMQKQAY-UHFFFAOYSA-N 2 0 323.481 1.799 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000251840841 484247793 /nfs/dbraw/zinc/24/77/93/484247793.db2.gz QLGBRFHDCWFCJI-MDZLAQPJSA-N 2 0 305.344 1.224 10 0 DDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3=CCCOC3)C2)[C@@H]1C(C)C ZINC000888097824 709213058 /nfs/dbraw/zinc/21/30/58/709213058.db2.gz QAGRBXKKHKPNSA-ZJPYXAASSA-N 2 0 308.466 1.793 10 0 DDAERP CC[NH+](CC)[C@H](CNS(=O)(=O)[C@H](C)C[NH3+])c1ccccc1 ZINC000088472015 185252204 /nfs/dbraw/zinc/25/22/04/185252204.db2.gz SYTCTNYKQYDPSN-UKRRQHHQSA-N 2 0 313.467 1.336 10 0 DDAERP CC[NH+]1CCN(CCCN2Cc3ccccc3[C@H]2C[NH3+])CC1 ZINC000071682987 191007275 /nfs/dbraw/zinc/00/72/75/191007275.db2.gz LMFKBEIRROEEJB-GOSISDBHSA-N 2 0 302.466 1.530 10 0 DDAERP CC[NH+](CC)CCN1Cc2cc(OC)cc(OC)c2[C@H]1C[NH3+] ZINC000071683935 191008884 /nfs/dbraw/zinc/00/88/84/191008884.db2.gz DOCMOBHUYQIIBU-OAHLLOKOSA-N 2 0 307.438 1.861 10 0 DDAERP C[NH+]1CCN([C@@H](CN2CC[NH2+]CC2)c2ccc(Cl)cc2)CC1 ZINC000036470604 352295273 /nfs/dbraw/zinc/29/52/73/352295273.db2.gz KSSQMUBZHMTKQS-KRWDZBQOSA-N 2 0 322.884 1.534 10 0 DDAERP CCN(CC)C(=O)C[C@@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000091322850 193041033 /nfs/dbraw/zinc/04/10/33/193041033.db2.gz IIBPMGJSRNMTAO-HNNXBMFYSA-N 2 0 300.491 1.092 10 0 DDAERP C[NH2+]Cc1sccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091431026 193055260 /nfs/dbraw/zinc/05/52/60/193055260.db2.gz WDYKDFXKXFJNSI-NSHDSACASA-N 2 0 317.480 1.182 10 0 DDAERP CC(C)[NH2+]Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000020188684 182195289 /nfs/dbraw/zinc/19/52/89/182195289.db2.gz KRQXKBBUDDTUCI-UHFFFAOYSA-N 2 0 313.467 1.415 10 0 DDAERP C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000042388858 183262178 /nfs/dbraw/zinc/26/21/78/183262178.db2.gz VXFYNGRUEFCEDT-UHFFFAOYSA-N 2 0 311.451 1.108 10 0 DDAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061642336 184180113 /nfs/dbraw/zinc/18/01/13/184180113.db2.gz QWDPRZGGLAXIEZ-ZBFHGGJFSA-N 2 0 310.511 1.624 10 0 DDAERP C[NH2+][C@@H](C)c1sc(N2CCN(CC[NH+](C)C)CC2)nc1C ZINC000061655485 184181372 /nfs/dbraw/zinc/18/13/72/184181372.db2.gz MQTLOZUMIFAQBB-LBPRGKRZSA-N 2 0 311.499 1.416 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000119730167 195027314 /nfs/dbraw/zinc/02/73/14/195027314.db2.gz VUSXWLGFMBVRLW-HNNXBMFYSA-N 2 0 310.486 1.987 10 0 DDAERP COC1(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000261557806 292096713 /nfs/dbraw/zinc/09/67/13/292096713.db2.gz XOLDEPYJWJIXQA-OAHLLOKOSA-N 2 0 319.449 1.392 10 0 DDAERP COC(=O)c1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c[nH]1 ZINC000261700411 407585267 /nfs/dbraw/zinc/58/52/67/407585267.db2.gz LKXKXYNBLDFZGJ-CVEARBPZSA-N 2 0 313.401 1.976 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000170862486 407536123 /nfs/dbraw/zinc/53/61/23/407536123.db2.gz PYXUYKLSXYWWRK-STQMWFEESA-N 2 0 310.467 1.696 10 0 DDAERP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261870345 407649963 /nfs/dbraw/zinc/64/99/63/407649963.db2.gz DDDSBGVFXFARPC-BRSBDYLESA-N 2 0 309.498 1.998 10 0 DDAERP CC(C)c1nc(CN(C)[C@@H]2CCN(C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261722117 407591890 /nfs/dbraw/zinc/59/18/90/407591890.db2.gz GAFUVXKFAFCRCH-PBHICJAKSA-N 2 0 321.469 1.699 10 0 DDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171904041 407791226 /nfs/dbraw/zinc/79/12/26/407791226.db2.gz SFTGEAVALVHGEJ-BZUAXINKSA-N 2 0 308.470 1.596 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000262328128 407801150 /nfs/dbraw/zinc/80/11/50/407801150.db2.gz RHBHUFYGUQUFEP-AWEZNQCLSA-N 2 0 323.462 1.456 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262357322 407809255 /nfs/dbraw/zinc/80/92/55/407809255.db2.gz VDQODQABHPKMBK-LBIHUFLLSA-N 2 0 305.466 1.835 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCO[C@@H]2CCCCO2)CC1 ZINC000181689696 408026324 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C[N@H+](CC[C@@H]1CCCO1)C1CCN(CCn2cccn2)CC1 ZINC000189182275 163088237 /nfs/dbraw/zinc/08/82/37/163088237.db2.gz UGTAWFHBDACTMK-KRWDZBQOSA-N 2 0 306.454 1.848 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000665283252 424773596 /nfs/dbraw/zinc/77/35/96/424773596.db2.gz JZFBWQQSJRZNFU-YTQUADARSA-N 2 0 316.493 1.390 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000247914080 289313876 /nfs/dbraw/zinc/31/38/76/289313876.db2.gz ARRWLZPPRKBQTM-IXDOHACOSA-N 2 0 316.449 1.777 10 0 DDAERP O=C(C[NH2+]C1CC1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186618117 484115395 /nfs/dbraw/zinc/11/53/95/484115395.db2.gz MPYVOYILLAGYGU-INIZCTEOSA-N 2 0 302.422 1.304 10 0 DDAERP CCOC(C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)OCC ZINC000184967654 697511091 /nfs/dbraw/zinc/51/10/91/697511091.db2.gz YFOAZFQGPQEQTB-AWEZNQCLSA-N 2 0 302.459 1.410 10 0 DDAERP C[NH+](C)CCN[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000087911975 185237405 /nfs/dbraw/zinc/23/74/05/185237405.db2.gz ABPHXJUFIWBHGV-LBPRGKRZSA-N 2 0 304.207 1.739 10 0 DDAERP CCC[NH2+]Cc1ccc(S(=O)(=O)NCC[NH+](CC)CC)o1 ZINC000088541939 185255849 /nfs/dbraw/zinc/25/58/49/185255849.db2.gz LKAQYKIUXXLNHD-UHFFFAOYSA-N 2 0 317.455 1.399 10 0 DDAERP CC(C)[NH2+]Cc1ccc(S(=O)(=O)NCCCC[NH+](C)C)o1 ZINC000088543061 185256166 /nfs/dbraw/zinc/25/61/66/185256166.db2.gz BBEOQJBXKSJDLJ-UHFFFAOYSA-N 2 0 317.455 1.398 10 0 DDAERP CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616654758 362770066 /nfs/dbraw/zinc/77/00/66/362770066.db2.gz PHFZGWHXLRZFCD-OAHLLOKOSA-N 2 0 320.437 1.939 10 0 DDAERP Clc1ccccc1N1CC[NH+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091313653 193039302 /nfs/dbraw/zinc/03/93/02/193039302.db2.gz GMKCVMQPJHAJAD-CQSZACIVSA-N 2 0 309.841 1.841 10 0 DDAERP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCCN(c2ccc(F)cc2)CC1 ZINC000091391290 193050018 /nfs/dbraw/zinc/05/00/18/193050018.db2.gz SLEASBOBKIRBMA-INIZCTEOSA-N 2 0 322.428 1.321 10 0 DDAERP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])(SC)CC1 ZINC000091470775 193060684 /nfs/dbraw/zinc/06/06/84/193060684.db2.gz BDNLKXVGFUMZRN-CHWSQXEVSA-N 2 0 301.500 1.836 10 0 DDAERP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])(SC)CC1 ZINC000091474133 193061698 /nfs/dbraw/zinc/06/16/98/193061698.db2.gz ZOLMXCNGNJLWTN-GFCCVEGCSA-N 2 0 301.500 1.836 10 0 DDAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000093516539 193263332 /nfs/dbraw/zinc/26/33/32/193263332.db2.gz KGCBFTKNTGEBAR-OLZOCXBDSA-N 2 0 305.488 1.215 10 0 DDAERP C[N@H+](CC[C@H]1CCCC[NH2+]1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093703096 193295198 /nfs/dbraw/zinc/29/51/98/193295198.db2.gz GJDAWKBZICJJOI-LSDHHAIUSA-N 2 0 317.499 1.122 10 0 DDAERP CC[NH2+][C@]1(CO)CCC[C@H]([N@H+](CCOC)[C@@H](C)COC)C1 ZINC000093783351 193307211 /nfs/dbraw/zinc/30/72/11/193307211.db2.gz JQYUNLJLQLKLEP-HRCADAONSA-N 2 0 302.459 1.253 10 0 DDAERP COCC[NH+](CCOC)[C@@H]1CCC[C@@](CO)([NH2+]C(C)C)C1 ZINC000093783329 193307554 /nfs/dbraw/zinc/30/75/54/193307554.db2.gz XCGBHVVCNKEQFV-HZPDHXFCSA-N 2 0 302.459 1.253 10 0 DDAERP [NH3+]CCCOC1CC[NH+]([C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094384852 193368007 /nfs/dbraw/zinc/36/80/07/193368007.db2.gz HRMXMKSEEREQMF-GOEBONIOSA-N 2 0 314.495 1.871 10 0 DDAERP C[NH2+][C@H]1[C@H](C[NH+](CCOC)CCOC)C(C)(C)OC1(C)C ZINC000094428932 193368623 /nfs/dbraw/zinc/36/86/23/193368623.db2.gz KERVRHSDJVKURV-KBPBESRZSA-N 2 0 302.459 1.373 10 0 DDAERP CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000021046195 182263588 /nfs/dbraw/zinc/26/35/88/182263588.db2.gz HNJQVMAZIYVRBV-KGLIPLIRSA-N 2 0 305.488 1.168 10 0 DDAERP CC[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCN(CCO)CC1 ZINC000043252741 183346613 /nfs/dbraw/zinc/34/66/13/183346613.db2.gz QWQORGXUZAJWAA-SMDDNHRTSA-N 2 0 317.886 1.790 10 0 DDAERP C[NH2+]Cc1cc(Br)cnc1N(C)CC[NH+](C)C ZINC000111149120 194395927 /nfs/dbraw/zinc/39/59/27/194395927.db2.gz CGABQDUEGXPCAI-UHFFFAOYSA-N 2 0 301.232 1.561 10 0 DDAERP COc1c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)nn1C ZINC000121128808 195296747 /nfs/dbraw/zinc/29/67/47/195296747.db2.gz NATFCMJCIKYBEP-CYBMUJFWSA-N 2 0 324.469 1.262 10 0 DDAERP CCC[C@@H](C(=O)OCC)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000114802866 407617032 /nfs/dbraw/zinc/61/70/32/407617032.db2.gz HWFRTYISJNFZPZ-ZBFHGGJFSA-N 2 0 314.470 1.743 10 0 DDAERP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1ccccc1 ZINC000261890247 407656394 /nfs/dbraw/zinc/65/63/94/407656394.db2.gz GJHDKTYXDKNIHT-GVDBMIGSSA-N 2 0 317.433 1.163 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000271448757 407689820 /nfs/dbraw/zinc/68/98/20/407689820.db2.gz HVRPTNJBOUTOSM-NEWSRXKRSA-N 2 0 317.477 1.817 10 0 DDAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000263216168 408062270 /nfs/dbraw/zinc/06/22/70/408062270.db2.gz KXLKLULUZMARRZ-DZKIICNBSA-N 2 0 305.422 1.190 10 0 DDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000263243866 408073191 /nfs/dbraw/zinc/07/31/91/408073191.db2.gz PAUBPBOOBYPBSO-RYRKJORJSA-N 2 0 323.481 1.465 10 0 DDAERP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000263255856 408078847 /nfs/dbraw/zinc/07/88/47/408078847.db2.gz FOBQUZHMBGSPJA-ZIAGYGMSSA-N 2 0 317.433 1.131 10 0 DDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246021953 408122224 /nfs/dbraw/zinc/12/22/24/408122224.db2.gz PBSZYSJLLAIRKW-OWCLPIDISA-N 2 0 310.486 1.700 10 0 DDAERP CC(C)[NH+]1CCC(NC2CC([N@@H+](CC(=O)[O-])CC3CC3)C2)CC1 ZINC000263488733 408153237 /nfs/dbraw/zinc/15/32/37/408153237.db2.gz IAMLKOLGFQPYIZ-UHFFFAOYSA-N 2 0 323.481 1.776 10 0 DDAERP C[C@@H](C(=O)NC1CCCC1)N1CC[C@H](Oc2ccncc2)C1 ZINC000156404281 408254643 /nfs/dbraw/zinc/25/46/43/408254643.db2.gz LQVYUAYKHJDLQV-BBRMVZONSA-N 2 0 303.406 1.982 10 0 DDAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3C=CCCC3)CC2)C1 ZINC000246263093 408198308 /nfs/dbraw/zinc/19/83/08/408198308.db2.gz OVOCKYIMYVNKMM-QZTJIDSGSA-N 2 0 307.482 1.822 10 0 DDAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000176416016 408360458 /nfs/dbraw/zinc/36/04/58/408360458.db2.gz CGWWCGKQLSBXMM-HOCLYGCPSA-N 2 0 310.486 1.887 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-n2ccnc2)nc1 ZINC000177039376 408503360 /nfs/dbraw/zinc/50/33/60/408503360.db2.gz XFONRDAQQSMBOH-HNNXBMFYSA-N 2 0 313.405 1.824 10 0 DDAERP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)C1C[NH2+]C1 ZINC000262514855 163841129 /nfs/dbraw/zinc/84/11/29/163841129.db2.gz KBGJRZCVGLPWHW-AWEZNQCLSA-N 2 0 301.434 1.754 10 0 DDAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)C1C[NH2+]C1 ZINC000262296108 288218607 /nfs/dbraw/zinc/21/86/07/288218607.db2.gz YQMAHPXVYGXZFX-HWWDLCQESA-N 2 0 315.461 1.821 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000120201167 281114876 /nfs/dbraw/zinc/11/48/76/281114876.db2.gz CYUOIROBFNFUTQ-HNNXBMFYSA-N 2 0 322.453 1.837 10 0 DDAERP Cc1nccn1CCCN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000122429400 281156393 /nfs/dbraw/zinc/15/63/93/281156393.db2.gz ZUDSSFRGAWDXAO-GOEBONIOSA-N 2 0 321.469 1.952 10 0 DDAERP [NH3+][C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCOCC1 ZINC000262077026 698453366 /nfs/dbraw/zinc/45/33/66/698453366.db2.gz SVRMSDGOSMFYLV-MRXNPFEDSA-N 2 0 309.454 1.217 10 0 DDAERP C[N@@H+]1CCC[C@@H](CNc2nc(NN)[nH+]cc2Br)C1 ZINC000087867944 185234089 /nfs/dbraw/zinc/23/40/89/185234089.db2.gz LGGKBFLSQKRKPK-QMMMGPOBSA-N 2 0 315.219 1.278 10 0 DDAERP CCC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH+](C)C)o1 ZINC000088542697 185256134 /nfs/dbraw/zinc/25/61/34/185256134.db2.gz FMQPPGSFVOPCDN-LLVKDONJSA-N 2 0 303.428 1.008 10 0 DDAERP O=C(C1CC1)N1CCC([NH+]2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000072123872 191042023 /nfs/dbraw/zinc/04/20/23/191042023.db2.gz SEKWQUNSNOCJPL-UHFFFAOYSA-N 2 0 305.466 1.853 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171897476 198003844 /nfs/dbraw/zinc/00/38/44/198003844.db2.gz PWOKUKGBKMNSNI-IAGOWNOFSA-N 2 0 316.449 1.779 10 0 DDAERP Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000248762338 354371267 /nfs/dbraw/zinc/37/12/67/354371267.db2.gz QXMGBDOGJBGHTG-KBPBESRZSA-N 2 0 322.453 1.576 10 0 DDAERP Cc1oc(C)c(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c1C[NH3+] ZINC000091427555 193053733 /nfs/dbraw/zinc/05/37/33/193053733.db2.gz QGJKILCQWJAZTK-GFCCVEGCSA-N 2 0 315.439 1.070 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000091473690 193061373 /nfs/dbraw/zinc/06/13/73/193061373.db2.gz RFELGVWHKPWFRS-CQSZACIVSA-N 2 0 313.511 1.934 10 0 DDAERP CCS(=O)(=O)N1CCC([NH2+][C@H](C)C[C@H]2CCCC[NH2+]2)CC1 ZINC000093473992 193256520 /nfs/dbraw/zinc/25/65/20/193256520.db2.gz RVKSFADAWWRHTQ-UKRRQHHQSA-N 2 0 317.499 1.311 10 0 DDAERP NC1=[NH+]CC2(CC[NH2+]CC2)N1c1cccc(Br)c1 ZINC000093387434 193242601 /nfs/dbraw/zinc/24/26/01/193242601.db2.gz DPKOZUBGJMJLTP-UHFFFAOYSA-N 2 0 309.211 1.706 10 0 DDAERP [NH3+]CCCCN1CC[NH+]([C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094364426 193365892 /nfs/dbraw/zinc/36/58/92/193365892.db2.gz HNJQDSOCWSHSLP-HOTGVXAUSA-N 2 0 313.511 1.398 10 0 DDAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C[C@@H]1C ZINC000184235498 296183251 /nfs/dbraw/zinc/18/32/51/296183251.db2.gz SEOQQRNGDLIHAX-LSDHHAIUSA-N 2 0 311.470 1.199 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000173847514 248350190 /nfs/dbraw/zinc/35/01/90/248350190.db2.gz BBRAGOJGTFVJHB-GVDBMIGSSA-N 2 0 322.497 1.987 10 0 DDAERP CCOCCOC[C@@H](O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000037853180 182932118 /nfs/dbraw/zinc/93/21/18/182932118.db2.gz YQAGERKGIBAALO-CVEARBPZSA-N 2 0 304.475 1.501 10 0 DDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000074010954 284761416 /nfs/dbraw/zinc/76/14/16/284761416.db2.gz CFZPJEWUTPNLPR-AWEZNQCLSA-N 2 0 314.474 1.127 10 0 DDAERP CC[NH2+][C@@H](C)c1cnc(N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061655495 184181097 /nfs/dbraw/zinc/18/10/97/184181097.db2.gz NGKAGKKDFYZRAR-ZDUSSCGKSA-N 2 0 311.499 1.497 10 0 DDAERP [NH3+]Cc1cccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062968015 184263762 /nfs/dbraw/zinc/26/37/62/184263762.db2.gz HKPZIBMGYJFRRC-CQSZACIVSA-N 2 0 309.435 1.004 10 0 DDAERP COc1ccc(-c2noc(CN3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000261629951 407559442 /nfs/dbraw/zinc/55/94/42/407559442.db2.gz CXVFRANSHYALTD-QEJZJMRPSA-N 2 0 314.389 1.914 10 0 DDAERP CNC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915724 407357724 /nfs/dbraw/zinc/35/77/24/407357724.db2.gz AREHCULCPAJNSA-KRWDZBQOSA-N 2 0 319.449 1.110 10 0 DDAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000261692141 407581218 /nfs/dbraw/zinc/58/12/18/407581218.db2.gz RZTVGWLCOZCVBI-VIJBBTGJSA-N 2 0 313.445 1.723 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000152389399 407630038 /nfs/dbraw/zinc/63/00/38/407630038.db2.gz FVTQQSMUIUMIDF-IAGOWNOFSA-N 2 0 320.481 1.763 10 0 DDAERP Cn1c2ccc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2sc1=O ZINC000262036998 407720955 /nfs/dbraw/zinc/72/09/55/407720955.db2.gz XTVAGDKPNQOGTL-XQQFMLRXSA-N 2 0 303.431 1.769 10 0 DDAERP Cc1ccc([C@H](CNC(=O)C2(C[NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000262138918 407751414 /nfs/dbraw/zinc/75/14/14/407751414.db2.gz HBFPJWKMESZWEF-INIZCTEOSA-N 2 0 319.449 1.469 10 0 DDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000179856389 407835427 /nfs/dbraw/zinc/83/54/27/407835427.db2.gz AULUVVLJPBAWCS-AWEZNQCLSA-N 2 0 311.470 1.057 10 0 DDAERP COc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000263251432 408076449 /nfs/dbraw/zinc/07/64/49/408076449.db2.gz DYIISOTXGAPCFI-MRXNPFEDSA-N 2 0 303.406 1.168 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000246457235 408260063 /nfs/dbraw/zinc/26/00/63/408260063.db2.gz PGMXSACJUJADNQ-CVEARBPZSA-N 2 0 310.486 1.890 10 0 DDAERP c1cnnc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1 ZINC000246278180 408202116 /nfs/dbraw/zinc/20/21/16/408202116.db2.gz BGZLWJFMASFQOQ-PMPSAXMXSA-N 2 0 301.438 1.662 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000246355308 408231220 /nfs/dbraw/zinc/23/12/20/408231220.db2.gz PNPOTTBSUYOBRZ-JKSUJKDBSA-N 2 0 310.486 1.987 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246369354 408233308 /nfs/dbraw/zinc/23/33/08/408233308.db2.gz LVQYQEHFOLPAJW-WBVHZDCISA-N 2 0 322.497 1.144 10 0 DDAERP CC(C)[NH+]1CCN(CCCN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000249459666 408729024 /nfs/dbraw/zinc/72/90/24/408729024.db2.gz ZBFYDBOYGKQUEV-MSOLQXFVSA-N 2 0 308.514 1.571 10 0 DDAERP C[C@@H]([NH2+]CCn1cc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000517730985 421625864 /nfs/dbraw/zinc/62/58/64/421625864.db2.gz VTEVSHBCKOZUQT-MNOVXSKESA-N 2 0 301.232 1.623 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000120201325 281114947 /nfs/dbraw/zinc/11/49/47/281114947.db2.gz CYUOIROBFNFUTQ-OAHLLOKOSA-N 2 0 322.453 1.837 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000174712621 281189515 /nfs/dbraw/zinc/18/95/15/281189515.db2.gz HYEAUWJYGYXLBN-DLBZAZTESA-N 2 0 322.497 1.987 10 0 DDAERP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261903764 300480904 /nfs/dbraw/zinc/48/09/04/300480904.db2.gz RZDMESQBCFAJGR-KBPBESRZSA-N 2 0 311.470 1.367 10 0 DDAERP C[NH+](C)C[C@@H](O)C[C@@]1(C[NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000310032851 337868203 /nfs/dbraw/zinc/86/82/03/337868203.db2.gz YQLIOGJPEXPIHO-XJKSGUPXSA-N 2 0 315.458 1.275 10 0 DDAERP CCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309773550 484379879 /nfs/dbraw/zinc/37/98/79/484379879.db2.gz IHRPPAAIFTYJJH-AKHDSKFASA-N 2 0 318.461 1.884 10 0 DDAERP C[C@H]([NH3+])CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000261905463 698444331 /nfs/dbraw/zinc/44/43/31/698444331.db2.gz VQBVMTPDNBUXLC-GXTWGEPZSA-N 2 0 318.421 1.060 10 0 DDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCCCCC[NH3+])CC1 ZINC000262017562 698450920 /nfs/dbraw/zinc/45/09/20/698450920.db2.gz WVOJVRQQSXPVBX-HNNXBMFYSA-N 2 0 313.486 1.447 10 0 DDAERP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)COCc3ccccc3)C[C@]2(C)C1 ZINC000702336424 699229388 /nfs/dbraw/zinc/22/93/88/699229388.db2.gz PIEUOMLXZVVRDV-KURKYZTESA-N 2 0 304.434 1.448 10 0 DDAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379455024 354626182 /nfs/dbraw/zinc/62/61/82/354626182.db2.gz MSXBYWWFCILLLF-DLBZAZTESA-N 2 0 301.434 1.767 10 0 DDAERP COc1c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)nn1C ZINC000237140441 202163426 /nfs/dbraw/zinc/16/34/26/202163426.db2.gz OHBASBSXWDVNCX-OKILXGFUSA-N 2 0 324.469 1.716 10 0 DDAERP C[NH+](C)CCN1C(N)=[NH+]C[C@H]1c1ccc(Br)s1 ZINC000093374745 193241109 /nfs/dbraw/zinc/24/11/09/193241109.db2.gz SJSYELPYWZTTTO-QMMMGPOBSA-N 2 0 317.256 1.744 10 0 DDAERP C[NH+](C)CCN1CCN([C@]2(C[NH3+])CSCC(C)(C)C2)CC1 ZINC000094489509 193373396 /nfs/dbraw/zinc/37/33/96/193373396.db2.gz QTVJUUKMGQNOGZ-MRXNPFEDSA-N 2 0 314.543 1.026 10 0 DDAERP CC[NH+](CC)CCOCCOCCOCC[NH+](CC)CC ZINC000033829685 182723066 /nfs/dbraw/zinc/72/30/66/182723066.db2.gz VRPCDJKWZZJOET-UHFFFAOYSA-N 2 0 304.475 1.720 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000041681739 183216282 /nfs/dbraw/zinc/21/62/82/183216282.db2.gz SXGVRGODJGIUKN-QWHCGFSZSA-N 2 0 313.467 1.715 10 0 DDAERP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000043412214 183360666 /nfs/dbraw/zinc/36/06/66/183360666.db2.gz OQIGWUHVAUEMQW-CQSZACIVSA-N 2 0 313.467 1.715 10 0 DDAERP COC(=O)[C@@](C)(CCC[N@H+](C)CCC[NH+](C)C)NC(C)C ZINC000111145370 194394994 /nfs/dbraw/zinc/39/49/94/194394994.db2.gz FZWUVWVOMASZDX-MRXNPFEDSA-N 2 0 301.475 1.580 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000262277716 407781782 /nfs/dbraw/zinc/78/17/82/407781782.db2.gz LHJGOUDTUBMIBJ-MRXNPFEDSA-N 2 0 305.422 1.831 10 0 DDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246026326 408121210 /nfs/dbraw/zinc/12/12/10/408121210.db2.gz RDQDWKRZQOAKBR-JKSUJKDBSA-N 2 0 310.486 1.987 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000176242477 408321334 /nfs/dbraw/zinc/32/13/34/408321334.db2.gz SASITTAXUWHWAZ-HZPDHXFCSA-N 2 0 310.486 1.844 10 0 DDAERP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000190165050 163130565 /nfs/dbraw/zinc/13/05/65/163130565.db2.gz LBXDEDDEYUUOJM-OAHLLOKOSA-N 2 0 314.474 1.080 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000174238098 279317843 /nfs/dbraw/zinc/31/78/43/279317843.db2.gz PNPOTTBSUYOBRZ-HOTGVXAUSA-N 2 0 310.486 1.987 10 0 DDAERP [NH3+]CCSCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000096754763 185386326 /nfs/dbraw/zinc/38/63/26/185386326.db2.gz PCZCYOBZSMAGEN-HNNXBMFYSA-N 2 0 307.463 1.632 10 0 DDAERP C[N@@H+]1CCC[C@H](CNc2nc(NN)[nH+]cc2Br)C1 ZINC000087867943 185234249 /nfs/dbraw/zinc/23/42/49/185234249.db2.gz LGGKBFLSQKRKPK-MRVPVSSYSA-N 2 0 315.219 1.278 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000255175782 282239393 /nfs/dbraw/zinc/23/93/93/282239393.db2.gz DAOGOHUVYZNTSD-JKSUJKDBSA-N 2 0 312.502 1.994 10 0 DDAERP COCCN1Cc2ccc(OC3CC[NH+](C)CC3)cc2[C@@H]1C[NH3+] ZINC000071685050 191008579 /nfs/dbraw/zinc/00/85/79/191008579.db2.gz LZBAQAOICRSBPC-SFHVURJKSA-N 2 0 319.449 1.621 10 0 DDAERP C[C@](O)(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000075937824 291340799 /nfs/dbraw/zinc/34/07/99/291340799.db2.gz WKMQIFPOXYJZLF-IBGZPJMESA-N 2 0 318.461 1.938 10 0 DDAERP C[NH+](C)[C@H]1CCCN(c2ncc(Br)cc2C[NH3+])C1 ZINC000091431370 193054963 /nfs/dbraw/zinc/05/49/63/193054963.db2.gz MOCONCLYHMBDDD-LBPRGKRZSA-N 2 0 313.243 1.833 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000091473687 193061289 /nfs/dbraw/zinc/06/12/89/193061289.db2.gz KEBFYHOKPGOYSK-ZDUSSCGKSA-N 2 0 301.500 1.694 10 0 DDAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094638856 193387882 /nfs/dbraw/zinc/38/78/82/193387882.db2.gz GELWEDKJEUZRGJ-UXXRCYHCSA-N 2 0 300.468 1.272 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccccc1C[NH3+] ZINC000094459107 193371034 /nfs/dbraw/zinc/37/10/34/193371034.db2.gz CZADHQZEAVPINV-TZMCWYRMSA-N 2 0 309.435 1.003 10 0 DDAERP CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000044526186 183417868 /nfs/dbraw/zinc/41/78/68/183417868.db2.gz KKWRODJAKAQEIG-UHFFFAOYSA-N 2 0 311.451 1.156 10 0 DDAERP C[NH2+]Cc1cc(Br)cnc1N1CC[N@H+](C)[C@@H](C)C1 ZINC000110748782 194356415 /nfs/dbraw/zinc/35/64/15/194356415.db2.gz KUAILNPMVNGOCT-JTQLQIEISA-N 2 0 313.243 1.704 10 0 DDAERP COCC[NH2+]Cc1sc(N(C)CCC[NH+](C)C)nc1C ZINC000111151968 194396230 /nfs/dbraw/zinc/39/62/30/194396230.db2.gz LNMJGGSXRUWVIW-UHFFFAOYSA-N 2 0 300.472 1.575 10 0 DDAERP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105100502 407353126 /nfs/dbraw/zinc/35/31/26/407353126.db2.gz XTXIKMXQEKCFCL-INIZCTEOSA-N 2 0 306.454 1.493 10 0 DDAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)C[NH+]1CCCC1 ZINC000113598037 407519961 /nfs/dbraw/zinc/51/99/61/407519961.db2.gz UWKRRGUTDYQIGI-OWCLPIDISA-N 2 0 308.470 1.596 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000129925434 407636925 /nfs/dbraw/zinc/63/69/25/407636925.db2.gz ANGRUYHRELSXEW-KLZNWCGWSA-N 2 0 320.481 1.880 10 0 DDAERP COc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261888029 407655742 /nfs/dbraw/zinc/65/57/42/407655742.db2.gz GCXKUSPRGNHYJE-BRWVUGGUSA-N 2 0 304.434 1.984 10 0 DDAERP COc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261888030 407658002 /nfs/dbraw/zinc/65/80/02/407658002.db2.gz GCXKUSPRGNHYJE-GVDBMIGSSA-N 2 0 304.434 1.984 10 0 DDAERP COCCN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000261929647 407675160 /nfs/dbraw/zinc/67/51/60/407675160.db2.gz LKLAMDFBCBGLHV-JYJNAYRXSA-N 2 0 304.438 1.333 10 0 DDAERP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261962279 407690977 /nfs/dbraw/zinc/69/09/77/407690977.db2.gz AHTPZQCDWGQRKL-IMJJTQAJSA-N 2 0 323.462 1.106 10 0 DDAERP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261962275 407692695 /nfs/dbraw/zinc/69/26/95/407692695.db2.gz AHTPZQCDWGQRKL-BPUTZDHNSA-N 2 0 323.462 1.106 10 0 DDAERP Cn1c2ccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2sc1=O ZINC000262037000 407719653 /nfs/dbraw/zinc/71/96/53/407719653.db2.gz XTVAGDKPNQOGTL-YNEHKIRRSA-N 2 0 303.431 1.769 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262169127 407756277 /nfs/dbraw/zinc/75/62/77/407756277.db2.gz APBFVPPSXPWTPX-MRXNPFEDSA-N 2 0 305.422 1.975 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000262374574 407816360 /nfs/dbraw/zinc/81/63/60/407816360.db2.gz XBISXJIKTSGEKP-KRWDZBQOSA-N 2 0 319.449 1.653 10 0 DDAERP C[C@H](NC(=O)NCC[NH+](C)C)c1cccc(-n2ccnc2)c1 ZINC000133786266 407872585 /nfs/dbraw/zinc/87/25/85/407872585.db2.gz REHWRDNSEIROOY-ZDUSSCGKSA-N 2 0 301.394 1.794 10 0 DDAERP CCN(C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245847380 408079028 /nfs/dbraw/zinc/07/90/28/408079028.db2.gz JZFQNLURJZGMMN-DLBZAZTESA-N 2 0 301.434 1.986 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000263279240 408087700 /nfs/dbraw/zinc/08/77/00/408087700.db2.gz ZJQSXHSSQYYIFC-MRXNPFEDSA-N 2 0 305.422 1.262 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000246390973 408241761 /nfs/dbraw/zinc/24/17/61/408241761.db2.gz QZZHBGKDGZZNFD-XHSDSOJGSA-N 2 0 308.470 1.739 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000176323158 408339881 /nfs/dbraw/zinc/33/98/81/408339881.db2.gz KDEWCUITBDHJDN-MRXNPFEDSA-N 2 0 310.486 1.844 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000247025868 408389752 /nfs/dbraw/zinc/38/97/52/408389752.db2.gz GETJKKVGOKMCME-ZBFHGGJFSA-N 2 0 308.470 1.739 10 0 DDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247595547 408495376 /nfs/dbraw/zinc/49/53/76/408495376.db2.gz SFTGEAVALVHGEJ-OAGGEKHMSA-N 2 0 308.470 1.596 10 0 DDAERP CCC[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+](C)C ZINC000162210784 408679654 /nfs/dbraw/zinc/67/96/54/408679654.db2.gz MNSYCYCBSMHWSS-ZBFHGGJFSA-N 2 0 311.470 1.334 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000194171406 418540013 /nfs/dbraw/zinc/54/00/13/418540013.db2.gz UIRWQLYLBAHZDZ-OAHLLOKOSA-N 2 0 308.470 1.741 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000177397221 279297596 /nfs/dbraw/zinc/29/75/96/279297596.db2.gz PXEMMKQYAYEJJN-JKSUJKDBSA-N 2 0 310.486 1.844 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000247085398 282033548 /nfs/dbraw/zinc/03/35/48/282033548.db2.gz PNOJGMLTTVINNB-BZUAXINKSA-N 2 0 310.486 1.985 10 0 DDAERP C[C@@H]1C[C@H](C)N(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1C[NH3+] ZINC000333226382 297366443 /nfs/dbraw/zinc/36/64/43/297366443.db2.gz BAVCULGMYMNYPY-YYAJDYIMSA-N 2 0 315.461 1.750 10 0 DDAERP [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCOCC1 ZINC000261640946 303355527 /nfs/dbraw/zinc/35/55/27/303355527.db2.gz DEVWKDXIDCLKFU-INIZCTEOSA-N 2 0 317.433 1.448 10 0 DDAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000333436160 484431096 /nfs/dbraw/zinc/43/10/96/484431096.db2.gz VJECWPDIAWKADP-KKBVYLPWSA-N 2 0 319.424 1.776 10 0 DDAERP CC(C)[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)N1C[C@@H](C)O[C@H](C)C1 ZINC000248900692 698383570 /nfs/dbraw/zinc/38/35/70/698383570.db2.gz YZHUKXILLCGERP-LJIZCISZSA-N 2 0 311.470 1.377 10 0 DDAERP C[NH2+][C@H](C)CNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000261693123 698433103 /nfs/dbraw/zinc/43/31/03/698433103.db2.gz IPTWPSZTKFDAPF-MRXNPFEDSA-N 2 0 318.465 1.231 10 0 DDAERP C[NH+](C)CCOc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000262309671 698463843 /nfs/dbraw/zinc/46/38/43/698463843.db2.gz PORJYGHGILCLMS-UHFFFAOYSA-N 2 0 307.394 1.073 10 0 DDAERP C[NH+](C)Cc1cc(-c2noc([C@H]3OCC[C@H]3C[NH3+])n2)ccc1F ZINC000888078224 709210042 /nfs/dbraw/zinc/21/00/42/709210042.db2.gz AQIDBZBMSQCFCG-FZMZJTMJSA-N 2 0 320.368 1.974 10 0 DDAERP C[NH+]1CCN(c2ccc(NC(=O)CSCC[NH3+])cc2)CC1 ZINC000096751691 185386090 /nfs/dbraw/zinc/38/60/90/185386090.db2.gz CSINMAUOVOOOIV-UHFFFAOYSA-N 2 0 308.451 1.069 10 0 DDAERP CCC[C@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000236847307 202035764 /nfs/dbraw/zinc/03/57/64/202035764.db2.gz ZHGANLWOKNPUDU-HNNXBMFYSA-N 2 0 311.470 1.513 10 0 DDAERP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000236890561 202056466 /nfs/dbraw/zinc/05/64/66/202056466.db2.gz JWLYLWKAIMHWAN-WFASDCNBSA-N 2 0 308.426 1.012 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000091430483 193054952 /nfs/dbraw/zinc/05/49/52/193054952.db2.gz ICZGRDBHDZZNSC-LLVKDONJSA-N 2 0 317.480 1.182 10 0 DDAERP Cc1sc(C[NH3+])cc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091432125 193055164 /nfs/dbraw/zinc/05/51/64/193055164.db2.gz AVAMPUCEMSPTFV-LLVKDONJSA-N 2 0 317.480 1.230 10 0 DDAERP CSC1(C(N)=S)CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000091487997 193063242 /nfs/dbraw/zinc/06/32/42/193063242.db2.gz WOVPBQHNKGSMJF-UHFFFAOYSA-N 2 0 301.525 1.956 10 0 DDAERP OC1(C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC[NH2+]CC1 ZINC000019685523 182136573 /nfs/dbraw/zinc/13/65/73/182136573.db2.gz ABZHDHOIETXSPW-UHFFFAOYSA-N 2 0 309.841 1.577 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000041676094 183215160 /nfs/dbraw/zinc/21/51/60/183215160.db2.gz WRTMOEYMTUYZRE-ZDUSSCGKSA-N 2 0 313.467 1.295 10 0 DDAERP CC[NH+]1CCC(CNS(=O)(=O)c2ccccc2C[NH3+])CC1 ZINC000044526185 183417355 /nfs/dbraw/zinc/41/73/55/183417355.db2.gz OBBJJWUCESKAFJ-UHFFFAOYSA-N 2 0 311.451 1.156 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000246307723 285267625 /nfs/dbraw/zinc/26/76/25/285267625.db2.gz NMZMRNGFSKICCD-HNSVSWJLSA-N 2 0 308.470 1.785 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000137208530 285266556 /nfs/dbraw/zinc/26/65/56/285266556.db2.gz APQUQLBTFXHBSW-OWCLPIDISA-N 2 0 308.470 1.596 10 0 DDAERP C[C@H]1C[N@H+](Cc2cccnc2)C[C@@]12CCN(CC[NH+](C)C)C2=O ZINC000248042051 257110383 /nfs/dbraw/zinc/11/03/83/257110383.db2.gz VSRWNSKKXIQXPN-YJBOKZPZSA-N 2 0 316.449 1.314 10 0 DDAERP C[C@@H]1CCC[C@](CNC(=O)[C@H]([NH3+])C2CCOCC2)([NH+](C)C)C1 ZINC000261780613 407614197 /nfs/dbraw/zinc/61/41/97/407614197.db2.gz MXWFEDBLCRGGQK-UNEWFSDZSA-N 2 0 311.470 1.367 10 0 DDAERP CC1CCC([NH+]2CCN(C(=O)C3([NH3+])CCOCC3)CC2)CC1 ZINC000261868148 407646285 /nfs/dbraw/zinc/64/62/85/407646285.db2.gz NVGVBCBNYXNLRJ-UHFFFAOYSA-N 2 0 309.454 1.217 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC000171589308 407711063 /nfs/dbraw/zinc/71/10/63/407711063.db2.gz TWNPAHSUDPYBLI-LPHOPBHVSA-N 2 0 320.477 1.919 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000171903427 407790532 /nfs/dbraw/zinc/79/05/32/407790532.db2.gz PMHFCEUTOIUICM-JKSUJKDBSA-N 2 0 308.470 1.598 10 0 DDAERP OCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)COC1 ZINC000180164878 407862388 /nfs/dbraw/zinc/86/23/88/407862388.db2.gz HFBLBKHFCVGCJY-AYHJJNSGSA-N 2 0 316.445 1.781 10 0 DDAERP CCN1CC[NH+](CCCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262662159 407895692 /nfs/dbraw/zinc/89/56/92/407895692.db2.gz YTYUNWUSQDEKRE-HOTGVXAUSA-N 2 0 310.486 1.038 10 0 DDAERP CN1CC[NH2+]C[C@H]1c1noc(-c2cccc(C[NH+](C)C)c2)n1 ZINC000263291662 408093408 /nfs/dbraw/zinc/09/34/08/408093408.db2.gz VSRGSIPXQZNEDW-AWEZNQCLSA-N 2 0 301.394 1.374 10 0 DDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000247313770 408449670 /nfs/dbraw/zinc/44/96/70/408449670.db2.gz OFQXEEQKSNBPES-OWCLPIDISA-N 2 0 308.470 1.596 10 0 DDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247473002 408474111 /nfs/dbraw/zinc/47/41/11/408474111.db2.gz HMDAQJNJKMULJX-HOTGVXAUSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@@H](CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000248496865 408578600 /nfs/dbraw/zinc/57/86/00/408578600.db2.gz QYOASFMBPWEAIB-HOTGVXAUSA-N 2 0 308.470 1.741 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000177314078 408578889 /nfs/dbraw/zinc/57/88/89/408578889.db2.gz VHTHXQDBVJXSNL-INIZCTEOSA-N 2 0 310.486 1.985 10 0 DDAERP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000249270923 408711396 /nfs/dbraw/zinc/71/13/96/408711396.db2.gz BAZHNRRTNAAOLR-UAGQMJEPSA-N 2 0 319.449 1.563 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)C2CCCCC2)CC1 ZINC000191337320 163182674 /nfs/dbraw/zinc/18/26/74/163182674.db2.gz MBFUZMABOMYCPV-YJBOKZPZSA-N 2 0 312.498 1.952 10 0 DDAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000263330361 287275767 /nfs/dbraw/zinc/27/57/67/287275767.db2.gz UUHVVALFPKROPH-CQSZACIVSA-N 2 0 301.434 1.897 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000389988190 418753064 /nfs/dbraw/zinc/75/30/64/418753064.db2.gz NAOOWGVPXADVTK-SPUZQDLCSA-N 2 0 315.461 1.998 10 0 DDAERP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638108494 422669790 /nfs/dbraw/zinc/66/97/90/422669790.db2.gz NOXBHJRYTRQIAX-USXIJHARSA-N 2 0 317.433 1.226 10 0 DDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000190137252 263444686 /nfs/dbraw/zinc/44/46/86/263444686.db2.gz OGXKCMGALDPOFE-INIZCTEOSA-N 2 0 310.486 1.988 10 0 DDAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C1C[NH2+]C1 ZINC000263321330 288217514 /nfs/dbraw/zinc/21/75/14/288217514.db2.gz RMSVYNLCDCMPKM-ZIAGYGMSSA-N 2 0 301.434 1.479 10 0 DDAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246855414 288305582 /nfs/dbraw/zinc/30/55/82/288305582.db2.gz DIECJDIZAONFQZ-MKXGPGLRSA-N 2 0 320.525 1.714 10 0 DDAERP CCC[C@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)[NH+](C)C ZINC000127853555 281288319 /nfs/dbraw/zinc/28/83/19/281288319.db2.gz NWLOFLJPRYYSHW-GDBMZVCRSA-N 2 0 313.486 1.268 10 0 DDAERP [NH3+]C1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000309704672 490732897 /nfs/dbraw/zinc/73/28/97/490732897.db2.gz HIVVIUJAKZRZPP-MRXNPFEDSA-N 2 0 317.433 1.133 10 0 DDAERP C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000261676221 698432510 /nfs/dbraw/zinc/43/25/10/698432510.db2.gz KZMCJZRASFJWIS-IUODEOHRSA-N 2 0 311.451 1.167 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170862080 282174440 /nfs/dbraw/zinc/17/44/40/282174440.db2.gz KVBJJXLIMVKLPB-CVEARBPZSA-N 2 0 304.438 1.635 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000249763240 282194649 /nfs/dbraw/zinc/19/46/49/282194649.db2.gz MRVQRUSFOIMHSP-JYJNAYRXSA-N 2 0 310.486 1.890 10 0 DDAERP C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C)[C@@H]2CCCO2)COC1)[C@@H]1CCCO1 ZINC000183167563 539241100 /nfs/dbraw/zinc/24/11/00/539241100.db2.gz MKMWQWIEBUKLIU-FZKCQIBNSA-N 2 0 312.454 1.317 10 0 DDAERP CC[NH+](CC)[C@@H](CNS(=O)(=O)[C@@H](C)C[NH3+])c1ccccc1 ZINC000088472012 185251854 /nfs/dbraw/zinc/25/18/54/185251854.db2.gz SYTCTNYKQYDPSN-ZFWWWQNUSA-N 2 0 313.467 1.336 10 0 DDAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](C)CCC(F)(F)F)nn1 ZINC000088437504 185250434 /nfs/dbraw/zinc/25/04/34/185250434.db2.gz YSAIJZRQZBLLPC-UHFFFAOYSA-N 2 0 307.364 1.908 10 0 DDAERP CC(C)NC(=O)Nc1ncc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272946 539569970 /nfs/dbraw/zinc/56/99/70/539569970.db2.gz VZTOQEYTYGMDIK-CMPLNLGQSA-N 2 0 311.455 1.842 10 0 DDAERP CC(C)CN(CC[NH+](C)C)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321478 193040963 /nfs/dbraw/zinc/04/09/63/193040963.db2.gz KANNBCFSYYCVJB-AWEZNQCLSA-N 2 0 300.491 1.138 10 0 DDAERP Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1C[NH3+] ZINC000091428094 193055079 /nfs/dbraw/zinc/05/50/79/193055079.db2.gz VGWIIULHUZWWKK-AWEZNQCLSA-N 2 0 311.451 1.168 10 0 DDAERP CCS(=O)(=O)N1CCC([NH2+][C@H](C)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000093473990 193256767 /nfs/dbraw/zinc/25/67/67/193256767.db2.gz RVKSFADAWWRHTQ-HIFRSBDPSA-N 2 0 317.499 1.311 10 0 DDAERP CCC[NH2+][C@]1(CO)CC[C@H]([N@H+](CCCOC)CCOC)C1 ZINC000093856795 193319565 /nfs/dbraw/zinc/31/95/65/193319565.db2.gz NIXIMAFDYVPAJQ-JKSUJKDBSA-N 2 0 302.459 1.255 10 0 DDAERP CS(=O)(=O)[C@H]1CCC[C@H]1[N@H+](CC1CC[NH2+]CC1)C1CC1 ZINC000094021524 193339410 /nfs/dbraw/zinc/33/94/10/193339410.db2.gz VKHIHGJWQXJFIJ-CABCVRRESA-N 2 0 300.468 1.416 10 0 DDAERP C[NH+](C)[C@H]1CCN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])C1 ZINC000094336748 193361130 /nfs/dbraw/zinc/36/11/30/193361130.db2.gz LMQRXIZQCPZYKK-QMMMGPOBSA-N 2 0 301.316 1.525 10 0 DDAERP CC(C)CN(CC[NH+](C)C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000042781306 183308227 /nfs/dbraw/zinc/30/82/27/183308227.db2.gz AVGMKBNPPGCVLE-HNNXBMFYSA-N 2 0 319.515 1.368 10 0 DDAERP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105144399 194079215 /nfs/dbraw/zinc/07/92/15/194079215.db2.gz LXXFUNNQIGTDBZ-GOEBONIOSA-N 2 0 306.454 1.350 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccccc2F)CC1 ZINC000105862560 194149303 /nfs/dbraw/zinc/14/93/03/194149303.db2.gz CISZYARPVJXDDD-KSSFIOAISA-N 2 0 324.440 1.884 10 0 DDAERP C[NH2+]Cc1cc(Br)cnc1OCCC[NH+](C)C ZINC000051549317 183829132 /nfs/dbraw/zinc/82/91/32/183829132.db2.gz LVGXTOHYADOZBN-UHFFFAOYSA-N 2 0 302.216 1.894 10 0 DDAERP CC[NH+](CC)[C@H]1CCN(C(=O)c2c[nH+]c(NN)c(Cl)c2)C1 ZINC000062985091 184264850 /nfs/dbraw/zinc/26/48/50/184264850.db2.gz LOIVRBDCIPQKFH-NSHDSACASA-N 2 0 311.817 1.577 10 0 DDAERP C[C@H]([NH3+])c1ccc(S(=O)(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000063054569 184268715 /nfs/dbraw/zinc/26/87/15/184268715.db2.gz AKYFPSPZRSNJDK-ZDUSSCGKSA-N 2 0 311.451 1.423 10 0 DDAERP C[C@H]([NH3+])C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000158207380 197253218 /nfs/dbraw/zinc/25/32/18/197253218.db2.gz YMHCXBMJEBHSDW-AWEZNQCLSA-N 2 0 305.422 1.167 10 0 DDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261985660 407701320 /nfs/dbraw/zinc/70/13/20/407701320.db2.gz SAVIKOFVZMHZOJ-BRWVUGGUSA-N 2 0 306.454 1.326 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262258752 407777824 /nfs/dbraw/zinc/77/78/24/407777824.db2.gz JGRPESSVJRPGCC-XJKSGUPXSA-N 2 0 305.422 1.973 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000262302933 407790450 /nfs/dbraw/zinc/79/04/50/407790450.db2.gz OCKJZRQNZDKMEN-UAGQMJEPSA-N 2 0 319.449 1.377 10 0 DDAERP C[C@@H]1CCC[C@](CNC(=O)C2(C[NH3+])CCOCC2)([NH+](C)C)C1 ZINC000262309612 407793337 /nfs/dbraw/zinc/79/33/37/407793337.db2.gz PNZUZTBAANKQKY-PBHICJAKSA-N 2 0 311.470 1.369 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000262351329 407809884 /nfs/dbraw/zinc/80/98/84/407809884.db2.gz UNZUDIKAYKYUAX-QGZVFWFLSA-N 2 0 319.449 1.508 10 0 DDAERP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263164812 408042928 /nfs/dbraw/zinc/04/29/28/408042928.db2.gz FCOYHABSIOKMNU-SUNKGSAMSA-N 2 0 311.813 1.227 10 0 DDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246021950 408123720 /nfs/dbraw/zinc/12/37/20/408123720.db2.gz PBSZYSJLLAIRKW-BZUAXINKSA-N 2 0 310.486 1.700 10 0 DDAERP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000176018602 408264787 /nfs/dbraw/zinc/26/47/87/408264787.db2.gz GAGOVEPMHITATF-KRWDZBQOSA-N 2 0 320.481 1.883 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000172240692 162265694 /nfs/dbraw/zinc/26/56/94/162265694.db2.gz FJZUZQXDZOOENQ-HZPDHXFCSA-N 2 0 308.470 1.741 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000246996246 408383674 /nfs/dbraw/zinc/38/36/74/408383674.db2.gz FJZUZQXDZOOENQ-CVEARBPZSA-N 2 0 308.470 1.741 10 0 DDAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](C)C1 ZINC000178301623 408801839 /nfs/dbraw/zinc/80/18/39/408801839.db2.gz DFMYEDSCDMXAGX-HOCLYGCPSA-N 2 0 304.438 1.914 10 0 DDAERP CC(C)c1nnc2n1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000193088936 163248214 /nfs/dbraw/zinc/24/82/14/163248214.db2.gz NNTLVBUAQPJUPP-AVOUXACISA-N 2 0 303.454 1.931 10 0 DDAERP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390778450 418755395 /nfs/dbraw/zinc/75/53/95/418755395.db2.gz PAZRYWZKYYXSLO-SJORKVTESA-N 2 0 303.450 1.998 10 0 DDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309710973 490732826 /nfs/dbraw/zinc/73/28/26/490732826.db2.gz JFWUYOVQRZBKML-USXIJHARSA-N 2 0 303.450 1.998 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C[NH+](C)C)o1 ZINC000088542978 185256094 /nfs/dbraw/zinc/25/60/94/185256094.db2.gz WQIBCAQTNUHHLZ-LBPRGKRZSA-N 2 0 317.455 1.254 10 0 DDAERP C[C@H](CNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1)[NH+](C)C ZINC000088542700 185256473 /nfs/dbraw/zinc/25/64/73/185256473.db2.gz ZQAYOOYJTQLLJY-LLVKDONJSA-N 2 0 317.455 1.396 10 0 DDAERP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000248638787 539272385 /nfs/dbraw/zinc/27/23/85/539272385.db2.gz YTMHMIKHYGAUIX-QKPAOTATSA-N 2 0 300.443 1.317 10 0 DDAERP CC(C)(O)C[NH+]1CCN([C@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000071380379 190963967 /nfs/dbraw/zinc/96/39/67/190963967.db2.gz CHAIDUUBQBUQTF-OAHLLOKOSA-N 2 0 311.857 1.728 10 0 DDAERP C[C@@H](O)CN1Cc2ccc(OC3CC[NH+](C)CC3)cc2[C@@H]1C[NH3+] ZINC000071685049 191008646 /nfs/dbraw/zinc/00/86/46/191008646.db2.gz HMDMLDWBBRPFQW-ACJLOTCBSA-N 2 0 319.449 1.356 10 0 DDAERP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1ccc(O)cc1)CC[NH2+]CC2 ZINC000072425851 191159793 /nfs/dbraw/zinc/15/97/93/191159793.db2.gz ZBBWRXSAQPVJDB-MRXNPFEDSA-N 2 0 317.433 1.125 10 0 DDAERP O=C(C1CC2(C1)CC[NH2+]CC2)N1CCC[N@@H+](C2CCC2)CC1 ZINC000147146076 354163511 /nfs/dbraw/zinc/16/35/11/354163511.db2.gz RAAAZBURPGNTLF-UHFFFAOYSA-N 2 0 305.466 1.853 10 0 DDAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000237889992 202380771 /nfs/dbraw/zinc/38/07/71/202380771.db2.gz RJEWNFZJCQHHRI-JKSUJKDBSA-N 2 0 323.481 1.607 10 0 DDAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000237933650 202396447 /nfs/dbraw/zinc/39/64/47/202396447.db2.gz QZNKIIFGULLSDM-HUUCEWRRSA-N 2 0 309.454 1.217 10 0 DDAERP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262475059 203303814 /nfs/dbraw/zinc/30/38/14/203303814.db2.gz XHGPOPZMTRCFDC-IRXDYDNUSA-N 2 0 317.433 1.724 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@H]1c1ccccc1Br ZINC000093374854 193240999 /nfs/dbraw/zinc/24/09/99/193240999.db2.gz YHGSJEBZPAVGRR-LBPRGKRZSA-N 2 0 311.227 1.682 10 0 DDAERP CC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596081 193271343 /nfs/dbraw/zinc/27/13/43/193271343.db2.gz ANCZVOKSAATGEQ-DGCLKSJQSA-N 2 0 309.376 1.894 10 0 DDAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)CC1 ZINC000021013524 182260462 /nfs/dbraw/zinc/26/04/62/182260462.db2.gz GBTQTMNEOJSMDD-ZDUSSCGKSA-N 2 0 303.328 1.832 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000041681329 183215967 /nfs/dbraw/zinc/21/59/67/183215967.db2.gz DUWVLLZVGGASSQ-UONOGXRCSA-N 2 0 305.488 1.168 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103307186 407336450 /nfs/dbraw/zinc/33/64/50/407336450.db2.gz CJRNZDQVCBHGOM-MRXNPFEDSA-N 2 0 312.502 1.994 10 0 DDAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261778091 407613722 /nfs/dbraw/zinc/61/37/22/407613722.db2.gz FGVRJVQZZSEDTJ-MSOLQXFVSA-N 3 0 302.466 1.835 10 0 DDAERP C[C@H](CNC(=O)C1([NH3+])CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000261799551 407620681 /nfs/dbraw/zinc/62/06/81/407620681.db2.gz IRTIRSUGMRXGOT-CQSZACIVSA-N 2 0 305.422 1.131 10 0 DDAERP NCc1nc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)no1 ZINC000261821606 407627739 /nfs/dbraw/zinc/62/77/39/407627739.db2.gz SFUVFZZBLMPEGD-UHFFFAOYSA-N 2 0 319.384 1.375 10 0 DDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261985659 407702007 /nfs/dbraw/zinc/70/20/07/407702007.db2.gz SAVIKOFVZMHZOJ-BBWFWOEESA-N 2 0 306.454 1.326 10 0 DDAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1F ZINC000115844725 407711816 /nfs/dbraw/zinc/71/18/16/407711816.db2.gz LTARJFNWCRFBGZ-HNNXBMFYSA-N 2 0 322.428 1.733 10 0 DDAERP C[C@H](C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1cccc(Br)c1 ZINC000263296624 408096743 /nfs/dbraw/zinc/09/67/43/408096743.db2.gz WKRLURFRHGLNHT-OSMZGAPFSA-N 2 0 313.239 1.723 10 0 DDAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3CCCCNC3=O)C2)[nH+]1 ZINC000245933824 408105884 /nfs/dbraw/zinc/10/58/84/408105884.db2.gz VINUWUVMTKQBPO-GJZGRUSLSA-N 2 0 302.422 1.793 10 0 DDAERP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000246467191 408263149 /nfs/dbraw/zinc/26/31/49/408263149.db2.gz ZKSKVXBKVAEVOC-FZKCQIBNSA-N 2 0 310.486 1.743 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000246292494 408209374 /nfs/dbraw/zinc/20/93/74/408209374.db2.gz KXZAMPPZNWOAMI-OAGGEKHMSA-N 2 0 312.502 1.944 10 0 DDAERP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246600311 408301609 /nfs/dbraw/zinc/30/16/09/408301609.db2.gz KNDKPGUABNETNQ-HOTGVXAUSA-N 2 0 308.470 1.741 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000246776292 408336983 /nfs/dbraw/zinc/33/69/83/408336983.db2.gz CGWWCGKQLSBXMM-GDBMZVCRSA-N 2 0 310.486 1.887 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177378912 408595296 /nfs/dbraw/zinc/59/52/96/408595296.db2.gz UBHKKFYOTKUYAP-KRWDZBQOSA-N 2 0 322.497 1.987 10 0 DDAERP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[NH+]1CCCC1 ZINC000262034764 163753946 /nfs/dbraw/zinc/75/39/46/163753946.db2.gz PQFLSVJXNXBEOH-PMPSAXMXSA-N 2 0 311.470 1.510 10 0 DDAERP C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000390753696 418754598 /nfs/dbraw/zinc/75/45/98/418754598.db2.gz UMOUGSIABRKFCX-FUHWJXTLSA-N 2 0 301.434 1.909 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000638837275 423151143 /nfs/dbraw/zinc/15/11/43/423151143.db2.gz YRXIXPQQPHZHIQ-BGTYHANMSA-N 2 0 315.461 1.998 10 0 DDAERP CC[N@@H+]1CC[C@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634716955 422580915 /nfs/dbraw/zinc/58/09/15/422580915.db2.gz CAAYEICAOCOUSD-ROUUACIJSA-N 2 0 303.450 1.307 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000262329355 277246916 /nfs/dbraw/zinc/24/69/16/277246916.db2.gz RMLVAHFXLROCHL-QGZVFWFLSA-N 2 0 319.449 1.508 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CC2CCCC2)CC1 ZINC000191337290 278395401 /nfs/dbraw/zinc/39/54/01/278395401.db2.gz BEGKDAXUHLFSCB-CRAIPNDOSA-N 2 0 312.498 1.952 10 0 DDAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)c1ccc(F)cc1 ZINC000262030324 698451182 /nfs/dbraw/zinc/45/11/82/698451182.db2.gz XJWDGIRHMVSOOX-VVLHAWIVSA-N 2 0 308.397 1.606 10 0 DDAERP CC[NH+](CC)CCN[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000087912631 185237385 /nfs/dbraw/zinc/23/73/85/185237385.db2.gz BKUPXQSIRNAYHC-CYBMUJFWSA-N 2 0 313.829 2.000 10 0 DDAERP CC(C)[NH2+]Cc1ccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)o1 ZINC000088543281 185256411 /nfs/dbraw/zinc/25/64/11/185256411.db2.gz RCPNTBJNMNBJLJ-UHFFFAOYSA-N 2 0 317.455 1.396 10 0 DDAERP CC[NH+](CC)CCS[C@@H]1CC2(CC[C@H]1[NH2+]C)OCCO2 ZINC000088736440 185263612 /nfs/dbraw/zinc/26/36/12/185263612.db2.gz VNXFFKLPSJUQLH-ZIAGYGMSSA-N 2 0 302.484 1.945 10 0 DDAERP CNC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358151520 299089880 /nfs/dbraw/zinc/08/98/80/299089880.db2.gz JMUHGHIJOZWNMZ-ALOPSCKCSA-N 2 0 301.434 1.908 10 0 DDAERP C[NH2+]Cc1ccccc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092678778 185333479 /nfs/dbraw/zinc/33/34/79/185333479.db2.gz JNOMSKOCUDAKMS-AWEZNQCLSA-N 2 0 311.451 1.121 10 0 DDAERP CC(C)(C)CS(=O)(=O)N1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000080185634 192010523 /nfs/dbraw/zinc/01/05/23/192010523.db2.gz VXYRZSBGQNJTAG-UHFFFAOYSA-N 2 0 319.515 1.499 10 0 DDAERP CCC[NH2+][C@]1(CO)CC[C@H]([N@H+](CCOC)[C@@H](C)COC)C1 ZINC000093857013 193319888 /nfs/dbraw/zinc/31/98/88/193319888.db2.gz IARUJLLIRSRSMF-HRCADAONSA-N 2 0 302.459 1.253 10 0 DDAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)c(Br)c2)CC1 ZINC000022209762 182313708 /nfs/dbraw/zinc/31/37/08/182313708.db2.gz NPPOHEJLDNBJDS-ZDUSSCGKSA-N 2 0 316.218 1.835 10 0 DDAERP C[NH+](C)CC1CCN(S(=O)(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000042388360 183262534 /nfs/dbraw/zinc/26/25/34/183262534.db2.gz OSQAQYIHNJRGBF-OAHLLOKOSA-N 2 0 317.499 1.122 10 0 DDAERP C[NH+](C)CC(C)(C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106454075 194215681 /nfs/dbraw/zinc/21/56/81/194215681.db2.gz VTFFTYHFSQMFIS-INIZCTEOSA-N 2 0 305.466 1.863 10 0 DDAERP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061652886 184181441 /nfs/dbraw/zinc/18/14/41/184181441.db2.gz ZSFRGNNEMDLFMQ-TZMCWYRMSA-N 2 0 311.451 1.421 10 0 DDAERP C[C@@H](CNS(=O)(=O)c1ccccc1C[NH3+])C[NH+]1CCCC1 ZINC000062074047 184204334 /nfs/dbraw/zinc/20/43/34/184204334.db2.gz KQRXKNJHGDULKB-ZDUSSCGKSA-N 2 0 311.451 1.156 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000176211458 285271868 /nfs/dbraw/zinc/27/18/68/285271868.db2.gz RGRRDDYNDDTPIO-HOTGVXAUSA-N 2 0 310.486 1.987 10 0 DDAERP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCOCC1 ZINC000261948554 407684431 /nfs/dbraw/zinc/68/44/31/407684431.db2.gz YPNQXSJKWWWUDH-UHFFFAOYSA-N 2 0 317.433 1.407 10 0 DDAERP COCCCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000117880157 407868093 /nfs/dbraw/zinc/86/80/93/407868093.db2.gz PSEIDLYYVJSOLU-KRWDZBQOSA-N 2 0 313.486 1.140 10 0 DDAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@](C)(O)c1ccccc1 ZINC000119289424 408033809 /nfs/dbraw/zinc/03/38/09/408033809.db2.gz VETTZAAWRPUETD-SFHVURJKSA-N 2 0 305.466 1.463 10 0 DDAERP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000245712685 408050287 /nfs/dbraw/zinc/05/02/87/408050287.db2.gz ZROLFYYAKDRQRJ-RBUKOAKNSA-N 2 0 317.477 1.822 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000245846891 408079908 /nfs/dbraw/zinc/07/99/08/408079908.db2.gz FRWORPKDNRIEQU-NVXWUHKLSA-N 2 0 318.465 1.852 10 0 DDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000263270684 408085157 /nfs/dbraw/zinc/08/51/57/408085157.db2.gz SDOLIRQLIJMZRY-WMLDXEAASA-N 2 0 323.868 1.474 10 0 DDAERP C[NH+](C)Cc1ccc(-c2noc(C3(C[NH3+])CCOCC3)n2)cc1 ZINC000263278738 408087322 /nfs/dbraw/zinc/08/73/22/408087322.db2.gz TXEBQGQXLAVOTR-UHFFFAOYSA-N 2 0 316.405 1.805 10 0 DDAERP CC[N@H+](CC(=O)[O-])C1CC(NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000263454041 408143258 /nfs/dbraw/zinc/14/32/58/408143258.db2.gz AJKAINALLXBFNF-UHFFFAOYSA-N 2 0 311.470 1.776 10 0 DDAERP CC(C)c1nc2c(n1C)CCN(C(=O)[C@H]1CC13CC[NH2+]CC3)C2 ZINC000137243514 408151225 /nfs/dbraw/zinc/15/12/25/408151225.db2.gz MWOMWJRILMAZLO-CYBMUJFWSA-N 2 0 316.449 1.818 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000246374100 408233824 /nfs/dbraw/zinc/23/38/24/408233824.db2.gz HTCZBGVGHHFKFO-SJORKVTESA-N 2 0 322.497 1.844 10 0 DDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171901102 162245987 /nfs/dbraw/zinc/24/59/87/162245987.db2.gz OGSRFKMXGVCTGA-IAGOWNOFSA-N 2 0 322.497 1.988 10 0 DDAERP C[NH+](C)CC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000176516484 408384037 /nfs/dbraw/zinc/38/40/37/408384037.db2.gz OFKGXQCSWCWJLM-QGZVFWFLSA-N 2 0 319.449 1.110 10 0 DDAERP CC[NH+]1CCC(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000173508298 162342539 /nfs/dbraw/zinc/34/25/39/162342539.db2.gz HHQFMUPLDVBYLP-INIZCTEOSA-N 2 0 308.470 1.598 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000247440271 408470548 /nfs/dbraw/zinc/47/05/48/408470548.db2.gz RYFUEWKUAXYIKV-HOSILWTGSA-N 2 0 308.470 1.640 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000177378897 408594306 /nfs/dbraw/zinc/59/43/06/408594306.db2.gz UBHKKFYOTKUYAP-QGZVFWFLSA-N 2 0 322.497 1.987 10 0 DDAERP C[NH+](C)CC1(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCC1 ZINC000185168077 408773178 /nfs/dbraw/zinc/77/31/78/408773178.db2.gz WSNZXINYKGDNOD-MRXNPFEDSA-N 2 0 322.497 1.988 10 0 DDAERP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171903270 278340669 /nfs/dbraw/zinc/34/06/69/278340669.db2.gz IRKLPLUTWLGFIY-OAHLLOKOSA-N 2 0 308.470 1.739 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115801983 279122684 /nfs/dbraw/zinc/12/26/84/279122684.db2.gz BGYLZYVETSXXPB-HZPDHXFCSA-N 2 0 312.502 1.946 10 0 DDAERP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261819507 279338389 /nfs/dbraw/zinc/33/83/89/279338389.db2.gz SEHAVNPBABGBSV-OIISXLGYSA-N 2 0 303.450 1.916 10 0 DDAERP CCC[C@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[NH+](C)C ZINC000127853980 281288282 /nfs/dbraw/zinc/28/82/82/281288282.db2.gz NWLOFLJPRYYSHW-GOEBONIOSA-N 2 0 313.486 1.268 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711382132 699257268 /nfs/dbraw/zinc/25/72/68/699257268.db2.gz DATZQWHCMJIANF-GOEBONIOSA-N 2 0 303.450 1.869 10 0 DDAERP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170832893 282116343 /nfs/dbraw/zinc/11/63/43/282116343.db2.gz OKNIMTKIUHHHKL-IAGOWNOFSA-N 2 0 318.465 1.505 10 0 DDAERP COc1ccc([C@H](C[NH3+])NCC[NH+](C)C)cc1Br ZINC000087912046 185237196 /nfs/dbraw/zinc/23/71/96/185237196.db2.gz XXJRJXVTRJFSJD-LBPRGKRZSA-N 2 0 316.243 1.609 10 0 DDAERP CC(C)[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)o1 ZINC000088543197 185256539 /nfs/dbraw/zinc/25/65/39/185256539.db2.gz KKRNTECULUIINJ-LBPRGKRZSA-N 2 0 317.455 1.396 10 0 DDAERP C(=C\CN1CC[N@@H+]2CCC[C@@H]2C1)\CN1CC[NH+]2CCC[C@@H]2C1 ZINC000255567442 539275194 /nfs/dbraw/zinc/27/51/94/539275194.db2.gz SBCUBXAPHHRWMN-FKAFAWJWSA-N 2 0 304.482 1.103 10 0 DDAERP Cc1ccc(C[NH3+])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092626647 185330099 /nfs/dbraw/zinc/33/00/99/185330099.db2.gz OESDNFWZDIFVHJ-CQSZACIVSA-N 2 0 311.451 1.168 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1csc(C[NH3+])c1 ZINC000092680016 185333533 /nfs/dbraw/zinc/33/35/33/185333533.db2.gz YZJCNUAOZFGPFE-LLVKDONJSA-N 2 0 317.480 1.312 10 0 DDAERP Clc1ccccc1N1CC[NH+](CC[C@H]2C[NH2+]CCO2)CC1 ZINC000091313655 193037737 /nfs/dbraw/zinc/03/77/37/193037737.db2.gz GMKCVMQPJHAJAD-AWEZNQCLSA-N 2 0 309.841 1.841 10 0 DDAERP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000262438067 203294503 /nfs/dbraw/zinc/29/45/03/203294503.db2.gz CKUVWYYAVVKPCU-SJORKVTESA-N 2 0 317.433 1.580 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@H]1c1ccc(Br)cc1 ZINC000093374945 193241292 /nfs/dbraw/zinc/24/12/92/193241292.db2.gz YHVIGOWPPWCERR-LBPRGKRZSA-N 2 0 311.227 1.682 10 0 DDAERP CC(C)([C@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000093700719 193294732 /nfs/dbraw/zinc/29/47/32/193294732.db2.gz DEUNCBYGWDBVBK-UONOGXRCSA-N 2 0 317.499 1.250 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)Cc1ccccc1C[NH3+] ZINC000041676104 183215670 /nfs/dbraw/zinc/21/56/70/183215670.db2.gz DSQUFUXAROKQQL-ZDUSSCGKSA-N 2 0 313.467 1.295 10 0 DDAERP [NH3+]C1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000261765895 407606000 /nfs/dbraw/zinc/60/60/00/407606000.db2.gz GHARLPIHFJNJBL-INIZCTEOSA-N 2 0 317.433 1.275 10 0 DDAERP CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000180621561 407902922 /nfs/dbraw/zinc/90/29/22/407902922.db2.gz DPDWPBQVLJJLKO-JKSUJKDBSA-N 2 0 306.454 1.803 10 0 DDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000245641922 408036864 /nfs/dbraw/zinc/03/68/64/408036864.db2.gz YUKRILYDCITQEV-NUEKZKHPSA-N 2 0 311.470 1.055 10 0 DDAERP CCC[C@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[NH+](C)C ZINC000136512553 408110593 /nfs/dbraw/zinc/11/05/93/408110593.db2.gz YOWRROZRRPKTKP-QGZVFWFLSA-N 2 0 318.465 1.893 10 0 DDAERP CCCCNC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247393603 408462557 /nfs/dbraw/zinc/46/25/57/408462557.db2.gz XKECUIXLZGHHQQ-LSDHHAIUSA-N 2 0 313.486 1.316 10 0 DDAERP CCC[C@@H](C(=O)NCCN1CCc2sccc2C1)[NH+](C)C ZINC000161733594 408633565 /nfs/dbraw/zinc/63/35/65/408633565.db2.gz LILLDOPSSYPJDD-AWEZNQCLSA-N 2 0 309.479 1.953 10 0 DDAERP CC[NH+](CC)CCCN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000191485754 163188867 /nfs/dbraw/zinc/18/88/67/163188867.db2.gz KHWHHDVHNQULJF-UHFFFAOYSA-N 2 0 307.486 1.660 10 0 DDAERP Cc1ccc([C@@H](C)NCc2cnc(N3CCN(C)CC3)nc2)o1 ZINC000129592429 196060883 /nfs/dbraw/zinc/06/08/83/196060883.db2.gz YBKIEWMQHUZQQN-CQSZACIVSA-N 2 0 315.421 1.981 10 0 DDAERP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638836199 423148944 /nfs/dbraw/zinc/14/89/44/423148944.db2.gz RLRTVBBBCHJRLB-XIRDDKMYSA-N 2 0 303.450 1.998 10 0 DDAERP C[C@H]([NH2+]CCn1cc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000517730986 421625719 /nfs/dbraw/zinc/62/57/19/421625719.db2.gz VTEVSHBCKOZUQT-QWRGUYRKSA-N 2 0 301.232 1.623 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000194138964 263504870 /nfs/dbraw/zinc/50/48/70/263504870.db2.gz KQBVIDVTJQSFBB-INIZCTEOSA-N 2 0 310.486 1.890 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000128294027 281306362 /nfs/dbraw/zinc/30/63/62/281306362.db2.gz SGCLXXQPKMEMKJ-JKSUJKDBSA-N 2 0 310.486 1.890 10 0 DDAERP Cc1ncc2c(c1-c1noc(C3C[NH+](C(C)C)C3)n1)CC[NH2+]C2 ZINC000020137547 333331679 /nfs/dbraw/zinc/33/16/79/333331679.db2.gz MGARWFYYQDNPTP-UHFFFAOYSA-N 2 0 313.405 1.893 10 0 DDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000179853550 697442278 /nfs/dbraw/zinc/44/22/78/697442278.db2.gz JSKUXBJQIRHDOA-YOEHRIQHSA-N 2 0 319.449 1.238 10 0 DDAERP O=C(N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)[C@@]1(F)CC[NH2+]C1 ZINC000186572061 697535300 /nfs/dbraw/zinc/53/53/00/697535300.db2.gz LOMPKWSVUGEGJC-DOTOQJQBSA-N 2 0 320.412 1.254 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1CC ZINC000262357677 698465817 /nfs/dbraw/zinc/46/58/17/698465817.db2.gz IDTYWGCXXHRXMF-JYJNAYRXSA-N 2 0 311.470 1.334 10 0 DDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]CC3=CCCOC3)C2)[C@H]1C(C)C ZINC000888097823 709212583 /nfs/dbraw/zinc/21/25/83/709212583.db2.gz QAGRBXKKHKPNSA-TVFCKZIOSA-N 2 0 308.466 1.793 10 0 DDAERP C[N@H+](CCC[C@@H](CC[NH3+])C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000079295534 185163702 /nfs/dbraw/zinc/16/37/02/185163702.db2.gz UYYUFPHAJFCJLX-UONOGXRCSA-N 2 0 304.500 1.897 10 0 DDAERP CC(C)[C@H](C[NH+](C)C)Nc1nc(NN)[nH+]cc1Br ZINC000087865613 185233954 /nfs/dbraw/zinc/23/39/54/185233954.db2.gz RHUOWEMDQMXEIV-VIFPVBQESA-N 2 0 317.235 1.523 10 0 DDAERP CCC[NH2+]Cc1ccc(S(=O)(=O)NCCCC[NH+](C)C)o1 ZINC000088543056 185256038 /nfs/dbraw/zinc/25/60/38/185256038.db2.gz JKLXUBIUVYTLMP-UHFFFAOYSA-N 2 0 317.455 1.399 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N[C@@H](C[NH+](C)C)C(C)C)o1 ZINC000088543078 185256475 /nfs/dbraw/zinc/25/64/75/185256475.db2.gz AHLMXQUJKICTTR-ZDUSSCGKSA-N 2 0 317.455 1.254 10 0 DDAERP CCC[NH2+]C[C@H](C)S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092680027 185333371 /nfs/dbraw/zinc/33/33/71/185333371.db2.gz IOXGKVUHNGLWFC-KBPBESRZSA-N 2 0 305.488 1.120 10 0 DDAERP Cc1oc(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1C[NH3+] ZINC000092678617 185333376 /nfs/dbraw/zinc/33/33/76/185333376.db2.gz LHSQMMWBXLAUSL-LBPRGKRZSA-N 2 0 315.439 1.070 10 0 DDAERP CC(C)(C)OC(=O)Nc1ccc([C@@H]2CN(CC[NH3+])CC[NH2+]2)cc1 ZINC000616633879 362764427 /nfs/dbraw/zinc/76/44/27/362764427.db2.gz FXAFBGILEDWBCC-HNNXBMFYSA-N 2 0 320.437 1.939 10 0 DDAERP C[NH+](C)[C@H]1CCCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000091394992 193050329 /nfs/dbraw/zinc/05/03/29/193050329.db2.gz LXYUNHJHLKWJNU-HNNXBMFYSA-N 2 0 311.451 1.001 10 0 DDAERP [NH3+]CCN1CCC[N@@H+]([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094364410 193365595 /nfs/dbraw/zinc/36/55/95/193365595.db2.gz FTLZGJHCUYKCOR-OAHLLOKOSA-N 2 0 313.511 1.398 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC000094645197 193389676 /nfs/dbraw/zinc/38/96/76/193389676.db2.gz YPAMVRURORDPRE-BZUAXINKSA-N 2 0 314.495 1.806 10 0 DDAERP CCC[N@H+](CCCC[C@@](C)([NH2+]CC)C(N)=O)CCN(C)C ZINC000041675190 183215454 /nfs/dbraw/zinc/21/54/54/183215454.db2.gz YRAXXNZLUGJPOK-MRXNPFEDSA-N 2 0 300.491 1.284 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000041675955 183215694 /nfs/dbraw/zinc/21/56/94/183215694.db2.gz MUGMBUJBAICLHV-UHFFFAOYSA-N 2 0 313.467 1.544 10 0 DDAERP CC(C)[NH2+]CCCS(=O)(=O)NCCCC[N@H+](C)C(C)C ZINC000041681897 183217229 /nfs/dbraw/zinc/21/72/29/183217229.db2.gz LVHIGIOENRVXJV-UHFFFAOYSA-N 2 0 307.504 1.414 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)NC2CCCC2)CC1 ZINC000105862202 194149220 /nfs/dbraw/zinc/14/92/20/194149220.db2.gz SRAQDTRGDMEBQA-AWEZNQCLSA-N 2 0 311.470 1.070 10 0 DDAERP Cc1cc(N2CC[NH+](CC(N)=S)CC2)c2ccccc2[nH+]1 ZINC000109442902 194264047 /nfs/dbraw/zinc/26/40/47/194264047.db2.gz BQRGPFYTYSTTAM-UHFFFAOYSA-N 2 0 300.431 1.951 10 0 DDAERP CN(CC[NH+]1CCCC1)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000063052313 184268732 /nfs/dbraw/zinc/26/87/32/184268732.db2.gz RIEXUTIDDUTUIP-UHFFFAOYSA-N 2 0 311.451 1.003 10 0 DDAERP CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000195337881 407453396 /nfs/dbraw/zinc/45/33/96/407453396.db2.gz KBHXKSICQHTYST-TWMKSMIVSA-N 2 0 323.481 1.427 10 0 DDAERP C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261713638 407590364 /nfs/dbraw/zinc/59/03/64/407590364.db2.gz MUHDRWCOHVQQLV-JOCBIADPSA-N 2 0 315.461 1.869 10 0 DDAERP Cc1ccc(N(C)C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)nn1 ZINC000261897248 407660060 /nfs/dbraw/zinc/66/00/60/407660060.db2.gz VGEXRDVRMLAWOH-QGZVFWFLSA-N 2 0 303.454 1.685 10 0 DDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261897999 407660185 /nfs/dbraw/zinc/66/01/85/407660185.db2.gz HIRITJWGSZBRNU-KZNAEPCWSA-N 2 0 309.498 1.855 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000152430632 407631448 /nfs/dbraw/zinc/63/14/48/407631448.db2.gz KNXPUBKNWQNANF-GVDBMIGSSA-N 2 0 322.497 1.985 10 0 DDAERP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1ccccc1 ZINC000261890245 407657060 /nfs/dbraw/zinc/65/70/60/407657060.db2.gz GJHDKTYXDKNIHT-BRWVUGGUSA-N 2 0 317.433 1.163 10 0 DDAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261887600 407657159 /nfs/dbraw/zinc/65/71/59/407657159.db2.gz QAQCIWDKWOHXQO-CQSZACIVSA-N 2 0 311.470 1.511 10 0 DDAERP [NH3+]C1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000261913556 407669774 /nfs/dbraw/zinc/66/97/74/407669774.db2.gz UCEPICKJDUAQOB-UHFFFAOYSA-N 2 0 309.454 1.408 10 0 DDAERP Cc1ccc(N(C)C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)nn1 ZINC000261965529 407694607 /nfs/dbraw/zinc/69/46/07/407694607.db2.gz PVSSCCCHAAXJTK-OAHLLOKOSA-N 2 0 303.454 1.685 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000262307997 407791316 /nfs/dbraw/zinc/79/13/16/407791316.db2.gz ORNRCDUYHSIORN-GDBMZVCRSA-N 2 0 319.449 1.740 10 0 DDAERP CCSCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000119179758 408009060 /nfs/dbraw/zinc/00/90/60/408009060.db2.gz MJEPFMNVTYMTSF-MRXNPFEDSA-N 2 0 315.527 1.466 10 0 DDAERP C[C@H]1C[C@H](NC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C[N@@H+]1C1CC1 ZINC000246179097 408165572 /nfs/dbraw/zinc/16/55/72/408165572.db2.gz GWMRQRUCYSONFG-KNCOVGOOSA-N 2 0 306.454 1.490 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)C1 ZINC000249747508 408762134 /nfs/dbraw/zinc/76/21/34/408762134.db2.gz OAAZYHBQECFYDP-HZPDHXFCSA-N 2 0 312.502 1.994 10 0 DDAERP C[C@H]1OCCC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000191670807 163197277 /nfs/dbraw/zinc/19/72/77/163197277.db2.gz PZKQWZDBJNCWFL-CVEARBPZSA-N 2 0 313.486 1.534 10 0 DDAERP CC1(C)C[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000261927271 163730619 /nfs/dbraw/zinc/73/06/19/163730619.db2.gz ZLEZEBUCOHHDAZ-AWEZNQCLSA-N 2 0 318.421 1.173 10 0 DDAERP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000262044775 277386258 /nfs/dbraw/zinc/38/62/58/277386258.db2.gz YYHINDFHIFSCGU-RCCFBDPRSA-N 2 0 309.498 1.854 10 0 DDAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000263243860 300819981 /nfs/dbraw/zinc/81/99/81/300819981.db2.gz PAUBPBOOBYPBSO-BQFCYCMXSA-N 2 0 323.481 1.465 10 0 DDAERP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC(C)(C)O)C2)ccn1 ZINC000886097185 708697587 /nfs/dbraw/zinc/69/75/87/708697587.db2.gz ZPYJINJFRABZMO-INIZCTEOSA-N 2 0 307.438 1.757 10 0 DDAERP CC[N@H+](C)CCNS(=O)(=O)c1ccc(C[NH2+]CC(C)C)o1 ZINC000088542601 185256065 /nfs/dbraw/zinc/25/60/65/185256065.db2.gz HRVSLGBDUURDDW-UHFFFAOYSA-N 2 0 317.455 1.255 10 0 DDAERP C[C@H](O)C[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000248552983 539272090 /nfs/dbraw/zinc/27/20/90/539272090.db2.gz HFJMFFHVWVGOGH-CVEARBPZSA-N 2 0 323.456 1.644 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)c1nc2sccn2c1CC[NH3+] ZINC000092678835 185333384 /nfs/dbraw/zinc/33/33/84/185333384.db2.gz QDBWVFHIRKXWDF-LBPRGKRZSA-N 2 0 307.467 1.818 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccccc1C[NH3+] ZINC000092626697 185330127 /nfs/dbraw/zinc/33/01/27/185330127.db2.gz IMQLXXYJMWHYPU-CQSZACIVSA-N 2 0 311.451 1.250 10 0 DDAERP CC[NH+](CC)C1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000090950817 192962659 /nfs/dbraw/zinc/96/26/59/192962659.db2.gz MOUXRPMODWMUGQ-UHFFFAOYSA-N 2 0 310.467 1.591 10 0 DDAERP Cc1cc([C@@H](C[NH3+])NCC[NH+](C)C)ccc1Br ZINC000091471282 193060586 /nfs/dbraw/zinc/06/05/86/193060586.db2.gz KXTQWQRDRYIRIP-CYBMUJFWSA-N 2 0 300.244 1.909 10 0 DDAERP [NH3+]C1CCC([NH2+]Cc2cnc3cnc(Br)cn23)CC1 ZINC000092049909 193148465 /nfs/dbraw/zinc/14/84/65/193148465.db2.gz GLPKBKQALXIYGJ-UHFFFAOYSA-N 2 0 324.226 1.851 10 0 DDAERP CC[NH+](CC)CC[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH2+]C ZINC000093700744 193295026 /nfs/dbraw/zinc/29/50/26/193295026.db2.gz FBBLMJRFNMUVPK-LSDHHAIUSA-N 2 0 319.515 1.368 10 0 DDAERP C[C@@H](C[NH3+])N1CC[NH+]([C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094364654 193366291 /nfs/dbraw/zinc/36/62/91/193366291.db2.gz AXGVNTXGSAYJHS-GJZGRUSLSA-N 2 0 313.511 1.396 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000041675963 183215189 /nfs/dbraw/zinc/21/51/89/183215189.db2.gz YARBWGGQRFLQHJ-UHFFFAOYSA-N 2 0 313.467 1.544 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000041676172 183215575 /nfs/dbraw/zinc/21/55/75/183215575.db2.gz YQHQPPYDZDAEFA-UHFFFAOYSA-N 2 0 313.467 1.249 10 0 DDAERP CCOC(=O)CCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862719 194150274 /nfs/dbraw/zinc/15/02/74/194150274.db2.gz AQUOSSOUKDHHMB-AWEZNQCLSA-N 2 0 300.443 1.354 10 0 DDAERP COc1ccc([C@H](C[NH3+])N(C)CC[NH+](C)C)c(Cl)c1OC ZINC000111132636 194394141 /nfs/dbraw/zinc/39/41/41/194394141.db2.gz LKTLFACWVWJXLB-LBPRGKRZSA-N 2 0 315.845 1.850 10 0 DDAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(N)=O ZINC000111146026 194395214 /nfs/dbraw/zinc/39/52/14/194395214.db2.gz QOBZZWGOCKSVPO-INIZCTEOSA-N 3 0 300.491 1.284 10 0 DDAERP C[NH+](C)C[C@@H]1CCCN1c1ncc(Br)cc1C[NH3+] ZINC000061654342 184181459 /nfs/dbraw/zinc/18/14/59/184181459.db2.gz LSHOEQZXFFZQKQ-LBPRGKRZSA-N 2 0 313.243 1.833 10 0 DDAERP C[C@H](CNC(=O)c1c[nH+]c(NN)c(Cl)c1)C[NH+]1CCCC1 ZINC000062070896 184204516 /nfs/dbraw/zinc/20/45/16/184204516.db2.gz QZHBGZWGTFGWOI-SNVBAGLBSA-N 2 0 311.817 1.482 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638301545 422813591 /nfs/dbraw/zinc/81/35/91/422813591.db2.gz KWGTXAGBPDENKI-CYBMUJFWSA-N 2 0 313.405 1.186 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000054760905 407189146 /nfs/dbraw/zinc/18/91/46/407189146.db2.gz OFFIXERTCBJQFH-KRWDZBQOSA-N 2 0 318.465 1.902 10 0 DDAERP CCn1cc(CN2CCCN(C(=O)C[NH+](CC)CC)CC2)cn1 ZINC000105830748 407355522 /nfs/dbraw/zinc/35/55/22/407355522.db2.gz ISGBZWFYINZTOR-UHFFFAOYSA-N 2 0 321.469 1.279 10 0 DDAERP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261878794 407653231 /nfs/dbraw/zinc/65/32/31/407653231.db2.gz FBQPOQFNIGANEH-BZUAXINKSA-N 2 0 303.406 1.032 10 0 DDAERP [NH3+]CC1(C(=O)N2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC000262235774 407771801 /nfs/dbraw/zinc/77/18/01/407771801.db2.gz KOPNXPRUTKJKTM-UHFFFAOYSA-N 2 0 323.481 1.466 10 0 DDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000238032793 407871773 /nfs/dbraw/zinc/87/17/73/407871773.db2.gz RJEWNFZJCQHHRI-HOTGVXAUSA-N 2 0 323.481 1.607 10 0 DDAERP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263164814 408042457 /nfs/dbraw/zinc/04/24/57/408042457.db2.gz FCOYHABSIOKMNU-UHIISALHSA-N 2 0 311.813 1.227 10 0 DDAERP C[C@H]([NH2+]C1(CNC(=O)C2C[NH2+]C2)CCCC1)c1ccccc1 ZINC000263274146 408084874 /nfs/dbraw/zinc/08/48/74/408084874.db2.gz IQUMWTOSOFZSFG-AWEZNQCLSA-N 2 0 301.434 1.986 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000247319681 408448555 /nfs/dbraw/zinc/44/85/55/408448555.db2.gz ONOKGSJLONIIFI-FMKPAKJESA-N 2 0 306.454 1.349 10 0 DDAERP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C2 ZINC000192440042 408588023 /nfs/dbraw/zinc/58/80/23/408588023.db2.gz KYQZWKVPAFKEOG-IAGOWNOFSA-N 2 0 318.461 1.989 10 0 DDAERP CCC[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[NH+](C)C ZINC000162048725 408665666 /nfs/dbraw/zinc/66/56/66/408665666.db2.gz IMORNOWGHNUSBY-IRXDYDNUSA-N 2 0 324.513 1.345 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000250303832 408777237 /nfs/dbraw/zinc/77/72/37/408777237.db2.gz ZMFNENOBVRFULF-JKSUJKDBSA-N 2 0 310.486 1.890 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000382715513 418732311 /nfs/dbraw/zinc/73/23/11/418732311.db2.gz CHDDADWUVBPVIS-SOLBZPMBSA-N 2 0 315.461 1.965 10 0 DDAERP C[C@@H](CCNC(=O)[C@@H]1C[NH2+]CCOC1)[N@H+](C)Cc1ccccc1 ZINC000649347139 423783907 /nfs/dbraw/zinc/78/39/07/423783907.db2.gz GUYSLFPKCFVPES-DOTOQJQBSA-N 2 0 319.449 1.249 10 0 DDAERP CCc1ccc([C@H](CNC(=O)C2([NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000261678269 698432279 /nfs/dbraw/zinc/43/22/79/698432279.db2.gz CIKSTLGXPYHASJ-INIZCTEOSA-N 2 0 319.449 1.476 10 0 DDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1ccc(F)cc1 ZINC000262030325 698451077 /nfs/dbraw/zinc/45/10/77/698451077.db2.gz XJWDGIRHMVSOOX-WCXIOVBPSA-N 2 0 308.397 1.606 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000079269526 185163155 /nfs/dbraw/zinc/16/31/55/185163155.db2.gz DAOGOHUVYZNTSD-CVEARBPZSA-N 2 0 312.502 1.994 10 0 DDAERP COc1ccc(Br)cc1[C@@H](C[NH3+])NCC[NH+](C)C ZINC000087912151 185237322 /nfs/dbraw/zinc/23/73/22/185237322.db2.gz KDOMHMXYCCFUGJ-GFCCVEGCSA-N 2 0 316.243 1.609 10 0 DDAERP Cc1cccc2c1CN(CCCC[NH+]1CCN(C)CC1)[C@H]2C[NH3+] ZINC000071683060 191007657 /nfs/dbraw/zinc/00/76/57/191007657.db2.gz HGGNDELRHWANQX-IBGZPJMESA-N 2 0 316.493 1.838 10 0 DDAERP COCCN1Cc2ccc(OC3CC[NH+](C)CC3)cc2[C@H]1C[NH3+] ZINC000071685051 191007980 /nfs/dbraw/zinc/00/79/80/191007980.db2.gz LZBAQAOICRSBPC-GOSISDBHSA-N 2 0 319.449 1.621 10 0 DDAERP CC(C)[NH+]1CCN([C@@H]2C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536959453 354692577 /nfs/dbraw/zinc/69/25/77/354692577.db2.gz KJKDVIBNHDWEAB-GJZGRUSLSA-N 2 0 311.470 1.332 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@H]1c1ccccc1C(F)(F)F ZINC000093374784 193240476 /nfs/dbraw/zinc/24/04/76/193240476.db2.gz DCMNVQXVDVDKCG-LBPRGKRZSA-N 2 0 300.328 1.938 10 0 DDAERP C[N@@H+]1CCCN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CC1 ZINC000094336635 193360920 /nfs/dbraw/zinc/36/09/20/193360920.db2.gz BYCWHXMYJPWEIF-UHFFFAOYSA-N 2 0 301.316 1.526 10 0 DDAERP C[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094645193 193389861 /nfs/dbraw/zinc/38/98/61/193389861.db2.gz HBMJEAKLYQMTDO-CABCVRRESA-N 2 0 302.484 1.664 10 0 DDAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000041507838 183195227 /nfs/dbraw/zinc/19/52/27/183195227.db2.gz KUYSWECGPBWXCZ-ZDUSSCGKSA-N 2 0 300.244 1.942 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000041676059 183215588 /nfs/dbraw/zinc/21/55/88/183215588.db2.gz YALLFPIEBYHMQN-CYBMUJFWSA-N 2 0 313.467 1.295 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000041681321 183215913 /nfs/dbraw/zinc/21/59/13/183215913.db2.gz YHFGLCJCRQMBIV-UHFFFAOYSA-N 2 0 319.515 1.416 10 0 DDAERP CC[NH+]1CCC(N(C)S(=O)(=O)CCC[NH2+]C(C)C)CC1 ZINC000042689845 183296594 /nfs/dbraw/zinc/29/65/94/183296594.db2.gz IGVBYZFCPFQAJG-UHFFFAOYSA-N 2 0 305.488 1.120 10 0 DDAERP C[NH+](C)CCN1CC[NH+](CCNc2ccc(Cl)cc2)CC1 ZINC000061655309 184180976 /nfs/dbraw/zinc/18/09/76/184180976.db2.gz PUSFFKGTFSAQGL-UHFFFAOYSA-N 2 0 310.873 1.931 10 0 DDAERP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000261833060 407631451 /nfs/dbraw/zinc/63/14/51/407631451.db2.gz XWOFFNOSBXZKRI-ZBFHGGJFSA-N 2 0 312.417 1.344 10 0 DDAERP [NH3+]C1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCOCC1 ZINC000261951208 407687235 /nfs/dbraw/zinc/68/72/35/407687235.db2.gz YYKJBPATMYRZKS-UHFFFAOYSA-N 2 0 317.433 1.771 10 0 DDAERP C[NH+](C)CCOCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000231675761 407697939 /nfs/dbraw/zinc/69/79/39/407697939.db2.gz HWYXNXIGUHPSRJ-CYBMUJFWSA-N 2 0 301.431 1.164 10 0 DDAERP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000262044766 407722142 /nfs/dbraw/zinc/72/21/42/407722142.db2.gz YYHINDFHIFSCGU-KSZLIROESA-N 3 0 309.498 1.854 10 0 DDAERP COC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000262338856 407804085 /nfs/dbraw/zinc/80/40/85/407804085.db2.gz SNYRLQUAROXOIG-CQSZACIVSA-N 2 0 313.829 1.204 10 0 DDAERP CCC(CC)(CNC(=O)[C@H]([NH3+])COC)[NH2+][C@H](C)c1ccccc1 ZINC000262384385 407820335 /nfs/dbraw/zinc/82/03/35/407820335.db2.gz YGFDTLQQGFZGLJ-GDBMZVCRSA-N 2 0 321.465 1.986 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1NCCc2ccccc21 ZINC000174534355 407961446 /nfs/dbraw/zinc/96/14/46/407961446.db2.gz AWOJCUNHUKAACV-WBVHZDCISA-N 2 0 301.434 1.816 10 0 DDAERP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263206536 408056442 /nfs/dbraw/zinc/05/64/42/408056442.db2.gz JTWPETGEIRFHKM-OSMZGAPFSA-N 2 0 302.340 1.806 10 0 DDAERP CCC[C@H](C(=O)N1CCN(CCOCC)[C@@H](CC)C1)[NH+](C)C ZINC000245778893 408067773 /nfs/dbraw/zinc/06/77/73/408067773.db2.gz LXNKFYRDRXEWQG-JKSUJKDBSA-N 2 0 313.486 1.676 10 0 DDAERP CCC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000263267254 408081448 /nfs/dbraw/zinc/08/14/48/408081448.db2.gz OAXCCDVQSAMZHT-AWEZNQCLSA-N 2 0 306.410 1.643 10 0 DDAERP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000246467197 408263323 /nfs/dbraw/zinc/26/33/23/408263323.db2.gz ZKSKVXBKVAEVOC-WCVJEAGWSA-N 2 0 310.486 1.743 10 0 DDAERP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000246467179 408263695 /nfs/dbraw/zinc/26/36/95/408263695.db2.gz ZKSKVXBKVAEVOC-FPCVCCKLSA-N 2 0 310.486 1.743 10 0 DDAERP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCCC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000246315508 408215659 /nfs/dbraw/zinc/21/56/59/408215659.db2.gz MQENGGIQEUMDKH-YCPHGPKFSA-N 2 0 306.454 1.491 10 0 DDAERP C(CN1CC[N@@H+]2CCCC[C@@H]2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000248344533 408550665 /nfs/dbraw/zinc/55/06/65/408550665.db2.gz LSHAJUKSYISRNF-QZTJIDSGSA-N 2 0 306.498 1.327 10 0 DDAERP CCC[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[NH+](C)C ZINC000162049077 408665085 /nfs/dbraw/zinc/66/50/85/408665085.db2.gz IMORNOWGHNUSBY-IAGOWNOFSA-N 2 0 324.513 1.345 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCCCC1 ZINC000171900885 289355987 /nfs/dbraw/zinc/35/59/87/289355987.db2.gz WOAUNMNFXGJIFX-IAGOWNOFSA-N 2 0 322.497 1.987 10 0 DDAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400403744 302369343 /nfs/dbraw/zinc/36/93/43/302369343.db2.gz QZQZNKUIWJHMEC-WMZOPIPTSA-N 3 0 317.477 1.601 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309724442 484378565 /nfs/dbraw/zinc/37/85/65/484378565.db2.gz NBGXUQSWVYYLHK-BPQIPLTHSA-N 2 0 315.461 1.870 10 0 DDAERP [NH3+][C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCOCC1 ZINC000262077024 698453410 /nfs/dbraw/zinc/45/34/10/698453410.db2.gz SVRMSDGOSMFYLV-INIZCTEOSA-N 2 0 309.454 1.217 10 0 DDAERP CC(C)(C)[C@@H](CC[NH3+])CCC[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000079296501 185163677 /nfs/dbraw/zinc/16/36/77/185163677.db2.gz LBMBJQGLWFDNKE-HIFRSBDPSA-N 2 0 304.500 1.945 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246772879 354361905 /nfs/dbraw/zinc/36/19/05/354361905.db2.gz ROSCGAHCTDFEJK-HOTGVXAUSA-N 2 0 311.470 1.380 10 0 DDAERP CC(C)([C@@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000093700722 193294922 /nfs/dbraw/zinc/29/49/22/193294922.db2.gz DEUNCBYGWDBVBK-KGLIPLIRSA-N 2 0 317.499 1.250 10 0 DDAERP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333746561 249090262 /nfs/dbraw/zinc/09/02/62/249090262.db2.gz YKDDGDYZHUTGEH-BVUBDWEXSA-N 2 0 302.422 1.263 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000041676090 183215538 /nfs/dbraw/zinc/21/55/38/183215538.db2.gz WRTMOEYMTUYZRE-CYBMUJFWSA-N 2 0 313.467 1.295 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000041682068 183216718 /nfs/dbraw/zinc/21/67/18/183216718.db2.gz QVTVQBBBOVCXCY-UHFFFAOYSA-N 2 0 319.496 1.212 10 0 DDAERP COCCN([C@@H](C)COC)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000042606595 183290570 /nfs/dbraw/zinc/29/05/70/183290570.db2.gz DNWQNCIBUUSWMJ-HNNXBMFYSA-N 2 0 301.475 1.171 10 0 DDAERP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(=O)[O-] ZINC000111145513 194396011 /nfs/dbraw/zinc/39/60/11/194396011.db2.gz IYRPJOFXRKZYQF-MRXNPFEDSA-N 2 0 301.475 1.882 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061653252 184181062 /nfs/dbraw/zinc/18/10/62/184181062.db2.gz JADDPGIQOSNIHR-AWEZNQCLSA-N 2 0 311.451 1.121 10 0 DDAERP [NH3+]Cc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000062943194 184261965 /nfs/dbraw/zinc/26/19/65/184261965.db2.gz AXRTXBCZFLQCQJ-LLVKDONJSA-N 2 0 315.464 1.066 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000067706762 407280584 /nfs/dbraw/zinc/28/05/84/407280584.db2.gz ZMFNENOBVRFULF-HZPDHXFCSA-N 2 0 310.486 1.890 10 0 DDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000111884080 407419265 /nfs/dbraw/zinc/41/92/65/407419265.db2.gz KNDKPGUABNETNQ-HZPDHXFCSA-N 2 0 308.470 1.741 10 0 DDAERP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000170855565 407531505 /nfs/dbraw/zinc/53/15/05/407531505.db2.gz QEVDNJCWDTVNNH-DLBZAZTESA-N 2 0 301.434 1.814 10 0 DDAERP C[C@@H]1CCC[C@@](CNC(=O)[C@H]([NH3+])C2CCOCC2)([NH+](C)C)C1 ZINC000261780606 407613186 /nfs/dbraw/zinc/61/31/86/407613186.db2.gz MXWFEDBLCRGGQK-FRFSOERESA-N 2 0 311.470 1.367 10 0 DDAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000261797179 407618834 /nfs/dbraw/zinc/61/88/34/407618834.db2.gz IPSZVMWYPOYWFO-GOEBONIOSA-N 2 0 317.433 1.446 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262266599 407780199 /nfs/dbraw/zinc/78/01/99/407780199.db2.gz JXHQJMRGJQKLBC-RHSMWYFYSA-N 2 0 319.449 1.651 10 0 DDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246343216 408227486 /nfs/dbraw/zinc/22/74/86/408227486.db2.gz HFRJRPPCQGIHEQ-IRXDYDNUSA-N 2 0 322.497 1.844 10 0 DDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247595564 408495902 /nfs/dbraw/zinc/49/59/02/408495902.db2.gz SFTGEAVALVHGEJ-PMPSAXMXSA-N 2 0 308.470 1.596 10 0 DDAERP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000247439039 408470802 /nfs/dbraw/zinc/47/08/02/408470802.db2.gz RWNGSMQFAMEFGI-BZUAXINKSA-N 2 0 310.486 1.746 10 0 DDAERP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C2 ZINC000192440038 408586871 /nfs/dbraw/zinc/58/68/71/408586871.db2.gz KYQZWKVPAFKEOG-SJORKVTESA-N 2 0 318.461 1.989 10 0 DDAERP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000047886033 418461515 /nfs/dbraw/zinc/46/15/15/418461515.db2.gz BCSHZOVCMOMINR-INIZCTEOSA-N 2 0 304.438 1.683 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)COC(C)(C)C)CC1 ZINC000247054243 278395454 /nfs/dbraw/zinc/39/54/54/278395454.db2.gz FMPSGYVTZGXCFB-GDBMZVCRSA-N 2 0 316.486 1.187 10 0 DDAERP CC(C)S(=O)(=O)CCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343491 279739424 /nfs/dbraw/zinc/73/94/24/279739424.db2.gz ZLEMEVBUBDLZBU-OAHLLOKOSA-N 2 0 302.484 1.664 10 0 DDAERP Cc1ccc(CNC(=O)CN(C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000262489796 698471392 /nfs/dbraw/zinc/47/13/92/698471392.db2.gz KVVOUSJXBUAKGT-OAHLLOKOSA-N 2 0 307.413 1.824 10 0 DDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3[nH]ncc3C)C2)[C@@H]1C(C)C ZINC000888097161 709212629 /nfs/dbraw/zinc/21/26/29/709212629.db2.gz CQAQUUQKQVVAQC-SIXLDLHFSA-N 2 0 306.454 1.678 10 0 DDAERP COCCN(CCC[NH+](C)C)C(=O)[C@H](C)CCC[C@H](C)[NH3+] ZINC000087697243 185230750 /nfs/dbraw/zinc/23/07/50/185230750.db2.gz RUSZUTHMVGKHHP-CABCVRRESA-N 2 0 301.475 1.567 10 0 DDAERP C[NH+]1CCC(Nc2nc(NN)[nH+]cc2Br)CC1 ZINC000087853117 185233694 /nfs/dbraw/zinc/23/36/94/185233694.db2.gz PCWBNWHDIMJZDS-UHFFFAOYSA-N 2 0 301.192 1.031 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1csc(C[NH3+])c1 ZINC000092680018 185333598 /nfs/dbraw/zinc/33/35/98/185333598.db2.gz YZJCNUAOZFGPFE-NSHDSACASA-N 2 0 317.480 1.312 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccsc1C[NH3+] ZINC000092680034 185333638 /nfs/dbraw/zinc/33/36/38/185333638.db2.gz LTJKARPLSHBTTM-LLVKDONJSA-N 2 0 317.480 1.312 10 0 DDAERP CCCNC(=O)Nc1ncc(CN2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725272375 539570060 /nfs/dbraw/zinc/57/00/60/539570060.db2.gz PMNHIAZNXAJWSK-PWSUYJOCSA-N 2 0 311.455 1.844 10 0 DDAERP Cc1cccc2c1CN(CCCC[NH+]1CCN(C)CC1)[C@@H]2C[NH3+] ZINC000071683059 191007024 /nfs/dbraw/zinc/00/70/24/191007024.db2.gz HGGNDELRHWANQX-LJQANCHMSA-N 2 0 316.493 1.838 10 0 DDAERP [NH3+]CCCC[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000081586148 192297802 /nfs/dbraw/zinc/29/78/02/192297802.db2.gz MONWRSSAMBYRHI-UHFFFAOYSA-N 2 0 303.332 1.356 10 0 DDAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000262333126 283630570 /nfs/dbraw/zinc/63/05/70/283630570.db2.gz YPZNBKFNSWJBPZ-HOTGVXAUSA-N 2 0 309.454 1.075 10 0 DDAERP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2C[NH3+])C1 ZINC000091394993 193051182 /nfs/dbraw/zinc/05/11/82/193051182.db2.gz LORSACHGJICDLI-OAHLLOKOSA-N 2 0 311.451 1.001 10 0 DDAERP Cc1sc(C[NH3+])cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432121 193054797 /nfs/dbraw/zinc/05/47/97/193054797.db2.gz AVAMPUCEMSPTFV-NSHDSACASA-N 2 0 317.480 1.230 10 0 DDAERP CC(C)([C@@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000093700720 193295143 /nfs/dbraw/zinc/29/51/43/193295143.db2.gz DEUNCBYGWDBVBK-KBPBESRZSA-N 2 0 317.499 1.250 10 0 DDAERP CC[NH2+][C@@]1(CO)CCC[C@H]([N@H+](CCCOC)CCOC)C1 ZINC000093783168 193307814 /nfs/dbraw/zinc/30/78/14/193307814.db2.gz HYOMQLGUQQIIGD-HOTGVXAUSA-N 2 0 302.459 1.255 10 0 DDAERP CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000021046190 182263526 /nfs/dbraw/zinc/26/35/26/182263526.db2.gz HNJQVMAZIYVRBV-UONOGXRCSA-N 2 0 305.488 1.168 10 0 DDAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000062961221 184262456 /nfs/dbraw/zinc/26/24/56/184262456.db2.gz CIPHKJGLBOGMJQ-MRXNPFEDSA-N 2 0 310.463 1.805 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1CC ZINC000246258780 286085965 /nfs/dbraw/zinc/08/59/65/286085965.db2.gz KTXQGFSGZGEKFD-OAGGEKHMSA-N 2 0 311.470 1.463 10 0 DDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170830018 407522044 /nfs/dbraw/zinc/52/20/44/407522044.db2.gz RDQDWKRZQOAKBR-CVEARBPZSA-N 2 0 310.486 1.987 10 0 DDAERP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CCOCC1 ZINC000261908873 407667074 /nfs/dbraw/zinc/66/70/74/407667074.db2.gz IQZGXZKPDLLVJN-KFWWJZLASA-N 2 0 314.495 1.645 10 0 DDAERP C[C@H]([NH2+]C(C)(C)CNC(=O)C1([NH3+])CCOCC1)c1ccccc1 ZINC000261957234 407688613 /nfs/dbraw/zinc/68/86/13/407688613.db2.gz ZUPJGBLMVXGFFT-AWEZNQCLSA-N 2 0 319.449 1.740 10 0 DDAERP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000130650031 407702320 /nfs/dbraw/zinc/70/23/20/407702320.db2.gz MQENGGIQEUMDKH-IJEWVQPXSA-N 2 0 306.454 1.491 10 0 DDAERP CC[N@H+](CC(=O)[O-])C1CC([NH2+]CCCc2cnccc2C)C1 ZINC000263523390 408161122 /nfs/dbraw/zinc/16/11/22/408161122.db2.gz SBRJLBLYSMTFBE-UHFFFAOYSA-N 2 0 305.422 1.850 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(CO)cc2)CC1 ZINC000182752528 408239013 /nfs/dbraw/zinc/23/90/13/408239013.db2.gz INAHEUWDTOBBLS-OAHLLOKOSA-N 2 0 306.450 1.704 10 0 DDAERP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000183714047 408474452 /nfs/dbraw/zinc/47/44/52/408474452.db2.gz ZUEFNKWCAFXHCX-KGLIPLIRSA-N 2 0 300.443 1.543 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)C2CCCCC2)CC1 ZINC000248906727 408657796 /nfs/dbraw/zinc/65/77/96/408657796.db2.gz MBFUZMABOMYCPV-CRAIPNDOSA-N 2 0 312.498 1.952 10 0 DDAERP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000194944082 408806728 /nfs/dbraw/zinc/80/67/28/408806728.db2.gz BUJUAFNDQJTJEP-MRXNPFEDSA-N 2 0 310.486 1.892 10 0 DDAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000246855389 288305659 /nfs/dbraw/zinc/30/56/59/288305659.db2.gz DIECJDIZAONFQZ-FCGDIQPGSA-N 2 0 320.525 1.714 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000261634995 288326543 /nfs/dbraw/zinc/32/65/43/288326543.db2.gz FVFKOXKXINXURQ-OIISXLGYSA-N 2 0 301.434 1.795 10 0 DDAERP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400332065 302368670 /nfs/dbraw/zinc/36/86/70/302368670.db2.gz FCXBFXGFOWGKEY-HKUYNNGSSA-N 3 0 316.493 1.392 10 0 DDAERP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC[NH2+]C1 ZINC000400479300 302370049 /nfs/dbraw/zinc/37/00/49/302370049.db2.gz VUFDNEPJEVQYGD-YTQUADARSA-N 2 0 317.477 1.865 10 0 DDAERP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000390526381 307293874 /nfs/dbraw/zinc/29/38/74/307293874.db2.gz COHHMRZVABSEMU-LJQANCHMSA-N 3 0 316.493 1.536 10 0 DDAERP CCc1nn(C)cc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000180094330 539235401 /nfs/dbraw/zinc/23/54/01/539235401.db2.gz RIMUTIOWNMJNLU-CQSZACIVSA-N 2 0 308.470 1.507 10 0 DDAERP C[N@@H+]1CC[C@]2(C[NH+]=C(N)N2c2cccc(Br)c2)C1 ZINC000093387479 193241654 /nfs/dbraw/zinc/24/16/54/193241654.db2.gz MIBUVTSRJATERV-ZDUSSCGKSA-N 2 0 309.211 1.868 10 0 DDAERP CC1(C)CCSC[C@H]1[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000094484835 193373050 /nfs/dbraw/zinc/37/30/50/193373050.db2.gz YYFURPOZCOOBDA-ZIAGYGMSSA-N 2 0 311.495 1.414 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000041682064 183216897 /nfs/dbraw/zinc/21/68/97/183216897.db2.gz RXGKPYNMQPBKSX-UHFFFAOYSA-N 2 0 305.469 1.169 10 0 DDAERP C[C@H]([NH3+])c1cccc(S(=O)(=O)NCC2CC[NH+](C)CC2)c1 ZINC000044527027 183417625 /nfs/dbraw/zinc/41/76/25/183417625.db2.gz RUZFUZLYHFIMLV-LBPRGKRZSA-N 2 0 311.451 1.326 10 0 DDAERP CC(C)[NH2+]Cc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1 ZINC000111141373 194394211 /nfs/dbraw/zinc/39/42/11/194394211.db2.gz VZQZPQMAIWZVGK-UHFFFAOYSA-N 2 0 313.467 1.367 10 0 DDAERP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)N(C)CCC[NH+](C)C)c1 ZINC000111141206 194393904 /nfs/dbraw/zinc/39/39/04/194393904.db2.gz YRHMUDNKJNPWAO-OAHLLOKOSA-N 2 0 313.467 1.669 10 0 DDAERP [NH3+]C[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000261616565 407554708 /nfs/dbraw/zinc/55/47/08/407554708.db2.gz CNFPZYHBQFCYPZ-OLZOCXBDSA-N 2 0 315.339 1.339 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000170862493 407534820 /nfs/dbraw/zinc/53/48/20/407534820.db2.gz PYXUYKLSXYWWRK-QWHCGFSZSA-N 2 0 310.467 1.696 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC000171589312 407711558 /nfs/dbraw/zinc/71/15/58/407711558.db2.gz TWNPAHSUDPYBLI-APWZRJJASA-N 2 0 320.477 1.919 10 0 DDAERP CC[C@H]1CN(C(=O)NCC[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000117468582 407838065 /nfs/dbraw/zinc/83/80/65/407838065.db2.gz JIUAHLIYTHDUJM-HNNXBMFYSA-N 2 0 314.474 1.080 10 0 DDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1CCOC ZINC000262729034 407910726 /nfs/dbraw/zinc/91/07/26/407910726.db2.gz BGTXMWRJMGORIJ-HLLBOEOZSA-N 2 0 311.470 1.463 10 0 DDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000263145342 408038093 /nfs/dbraw/zinc/03/80/93/408038093.db2.gz CPPNHDKTHGPMHX-RHSMWYFYSA-N 3 0 323.868 1.474 10 0 DDAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000263247945 408073309 /nfs/dbraw/zinc/07/33/09/408073309.db2.gz IGVGBJIXAJBWPT-QWHCGFSZSA-N 2 0 318.421 1.643 10 0 DDAERP Cc1nn(C)c(C)c1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000171589379 162228396 /nfs/dbraw/zinc/22/83/96/162228396.db2.gz GQLNENZJEBVUQZ-ZDUSSCGKSA-N 2 0 308.470 1.562 10 0 DDAERP CO[C@@H](C)c1noc(CN2CCC[C@@H]2Cn2ccnc2C)n1 ZINC000246941428 408374193 /nfs/dbraw/zinc/37/41/93/408374193.db2.gz HOWDCESLMNETCS-WCQYABFASA-N 2 0 305.382 1.947 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000247319696 408448888 /nfs/dbraw/zinc/44/88/88/408448888.db2.gz ONOKGSJLONIIFI-YCPHGPKFSA-N 2 0 306.454 1.349 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000194161171 408767656 /nfs/dbraw/zinc/76/76/56/408767656.db2.gz KHIVWJMLUXKDMR-HZPDHXFCSA-N 2 0 310.486 1.892 10 0 DDAERP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380949463 418727798 /nfs/dbraw/zinc/72/77/98/418727798.db2.gz QLAZQLBRGRUJLX-DLBZAZTESA-N 2 0 303.450 1.998 10 0 DDAERP CCC[C@H](C(=O)OCC)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246685542 276039377 /nfs/dbraw/zinc/03/93/77/276039377.db2.gz HWFRTYISJNFZPZ-GOEBONIOSA-N 2 0 314.470 1.743 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262303718 277246907 /nfs/dbraw/zinc/24/69/07/277246907.db2.gz OEVJXNUFIJIGNO-SJORKVTESA-N 2 0 319.449 1.550 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192639860 281188522 /nfs/dbraw/zinc/18/85/22/281188522.db2.gz OVTVOBZHFAJYGJ-DOTOQJQBSA-N 2 0 305.466 1.946 10 0 DDAERP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000091381299 303383755 /nfs/dbraw/zinc/38/37/55/303383755.db2.gz GLIQDIUQYZKMQW-MSOLQXFVSA-N 2 0 316.445 1.345 10 0 DDAERP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000398073094 337304147 /nfs/dbraw/zinc/30/41/47/337304147.db2.gz PSLSKJMIOKCJRU-UWWQBHOKSA-N 2 0 301.434 1.908 10 0 DDAERP C[NH+](C)C[C@@H](O)CC1(C[NH3+])CCN(C(=O)OC(C)(C)C)CC1 ZINC000381925274 337868202 /nfs/dbraw/zinc/86/82/02/337868202.db2.gz PNTIFCOKHVTAQU-ZDUSSCGKSA-N 2 0 315.458 1.275 10 0 DDAERP COc1ccc(C2CCC([NH2+]C[C@H]3C[NH2+]C[C@@H]3O)CC2)cc1 ZINC000262158531 484264008 /nfs/dbraw/zinc/26/40/08/484264008.db2.gz SGKKHRPGQJPYFJ-CWAZZTDXSA-N 2 0 304.434 1.891 10 0 DDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261879942 698442834 /nfs/dbraw/zinc/44/28/34/698442834.db2.gz FGKSFPHSEMZPJN-FGTMMUONSA-N 2 0 307.482 1.608 10 0 DDAERP CC(C)(C)[C@@H](CC[NH3+])CCC[NH2+][C@]1(C)CCS(=O)(=O)C1 ZINC000079296505 185163907 /nfs/dbraw/zinc/16/39/07/185163907.db2.gz LBMBJQGLWFDNKE-UKRRQHHQSA-N 2 0 304.500 1.945 10 0 DDAERP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2C(=O)N2CC[NH2+]CC2)s1 ZINC000088868362 185267533 /nfs/dbraw/zinc/26/75/33/185267533.db2.gz YOGAJRWXDNAMJM-CYBMUJFWSA-N 2 0 308.451 1.156 10 0 DDAERP CCCNC(=O)Nc1ncc(CN2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272377 539570536 /nfs/dbraw/zinc/57/05/36/539570536.db2.gz PMNHIAZNXAJWSK-ZYHUDNBSSA-N 2 0 311.455 1.844 10 0 DDAERP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000172629385 198128557 /nfs/dbraw/zinc/12/85/57/198128557.db2.gz YFXXXDBIOZDROR-MSOLQXFVSA-N 2 0 306.450 1.838 10 0 DDAERP c1nc2c(c(NCCC34CCC[NH+]3CCC4)n1)CC[NH2+]CC2 ZINC000072423303 191157853 /nfs/dbraw/zinc/15/78/53/191157853.db2.gz QGFNFRUHNRRWRA-UHFFFAOYSA-N 2 0 301.438 1.595 10 0 DDAERP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1([NH+]2CCOCC2)CCCC1 ZINC000261833016 299209891 /nfs/dbraw/zinc/20/98/91/299209891.db2.gz UHHSKYJUFGZISC-ARFHVFGLSA-N 2 0 323.481 1.511 10 0 DDAERP C[C@H]([NH3+])CCC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000193324634 354291176 /nfs/dbraw/zinc/29/11/76/354291176.db2.gz OZEWRPKVNTUTPE-GOEBONIOSA-N 2 0 304.438 1.680 10 0 DDAERP CC(C)[NH+]1CCN([C@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536959454 354692508 /nfs/dbraw/zinc/69/25/08/354692508.db2.gz KJKDVIBNHDWEAB-HUUCEWRRSA-N 2 0 311.470 1.332 10 0 DDAERP CS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093494915 193259906 /nfs/dbraw/zinc/25/99/06/193259906.db2.gz IAZVBACPEMJQAI-KFWWJZLASA-N 2 0 302.484 1.712 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634706 193386509 /nfs/dbraw/zinc/38/65/09/193386509.db2.gz FFQBTSMQDQNGNN-OLZOCXBDSA-N 2 0 320.524 1.499 10 0 DDAERP COc1c(Cl)cc(C[NH2+]CCN2CC[NH2+]CC2)cc1Cl ZINC000020968569 182256583 /nfs/dbraw/zinc/25/65/83/182256583.db2.gz PNUVNBVJOOMQGE-UHFFFAOYSA-N 2 0 318.248 1.997 10 0 DDAERP CCOCCOC[C@H](O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000037853183 182931940 /nfs/dbraw/zinc/93/19/40/182931940.db2.gz YQAGERKGIBAALO-JKSUJKDBSA-N 2 0 304.475 1.501 10 0 DDAERP CN(CC[NH+]1CCCC1)c1ncc(Br)cc1C[NH3+] ZINC000063053909 184268676 /nfs/dbraw/zinc/26/86/76/184268676.db2.gz YHPDIFZXKNCDRM-UHFFFAOYSA-N 2 0 313.243 1.835 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000245422629 285235315 /nfs/dbraw/zinc/23/53/15/285235315.db2.gz PXEMMKQYAYEJJN-HZPDHXFCSA-N 2 0 310.486 1.844 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000262169943 285385537 /nfs/dbraw/zinc/38/55/37/285385537.db2.gz APDXCCBPZKNVCC-KRWDZBQOSA-N 2 0 319.449 1.653 10 0 DDAERP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000171048333 407581105 /nfs/dbraw/zinc/58/11/05/407581105.db2.gz NZBDJDIAJJJISX-OAHLLOKOSA-N 2 0 310.486 1.987 10 0 DDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113609073 407519479 /nfs/dbraw/zinc/51/94/79/407519479.db2.gz VGZOQQJXEBDGDD-DOTOQJQBSA-N 2 0 322.497 1.987 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000178687750 407547916 /nfs/dbraw/zinc/54/79/16/407547916.db2.gz VHQATCPUEJVASK-UYSNPLJNSA-N 2 0 310.486 1.890 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000152428833 407634374 /nfs/dbraw/zinc/63/43/74/407634374.db2.gz OAYUZOIBAPWAOS-IAGOWNOFSA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)c1nc(CN(C)[C@H]2CCN(C[C@@]3(C)CC[NH2+]C3)C2)no1 ZINC000261722129 407593286 /nfs/dbraw/zinc/59/32/86/407593286.db2.gz GAFUVXKFAFCRCH-YOEHRIQHSA-N 2 0 321.469 1.699 10 0 DDAERP COC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000262338855 407803437 /nfs/dbraw/zinc/80/34/37/407803437.db2.gz SNYRLQUAROXOIG-AWEZNQCLSA-N 2 0 313.829 1.204 10 0 DDAERP CN(CC[N@H+](C)C[C@@](C)(O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000119312143 408038467 /nfs/dbraw/zinc/03/84/67/408038467.db2.gz KWILAZNAHXSLTD-LJQANCHMSA-N 2 0 319.493 1.852 10 0 DDAERP C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000246187026 408169258 /nfs/dbraw/zinc/16/92/58/408169258.db2.gz HZJDORJPVYWSDN-GJZGRUSLSA-N 2 0 310.486 1.842 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C)[NH+](CC)CC ZINC000246189556 408169569 /nfs/dbraw/zinc/16/95/69/408169569.db2.gz MJVDRGQTFIYOQC-XHSDSOJGSA-N 2 0 310.486 1.985 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](CC)C1CC1 ZINC000246408416 408247600 /nfs/dbraw/zinc/24/76/00/408247600.db2.gz RXTMQJRIHDGBFV-ZBFHGGJFSA-N 2 0 308.470 1.739 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171907359 162247817 /nfs/dbraw/zinc/24/78/17/162247817.db2.gz HMDAQJNJKMULJX-HZPDHXFCSA-N 2 0 308.470 1.596 10 0 DDAERP C(CCN1CC[NH+]2CCC[C@@H]2C1)CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000172656169 162291949 /nfs/dbraw/zinc/29/19/49/162291949.db2.gz GFIRWNPSCHNMCG-KDURUIRLSA-N 2 0 320.525 1.717 10 0 DDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247555436 408491401 /nfs/dbraw/zinc/49/14/01/408491401.db2.gz QQQPQLLHQWAGPY-ZACQAIPSSA-N 2 0 322.497 1.844 10 0 DDAERP COc1cccc2c1CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C2 ZINC000192440036 408587635 /nfs/dbraw/zinc/58/76/35/408587635.db2.gz KYQZWKVPAFKEOG-IRXDYDNUSA-N 2 0 318.461 1.989 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000638837239 423150714 /nfs/dbraw/zinc/15/07/14/423150714.db2.gz YIUOTHUZBGHLQK-HYVNUMGLSA-N 2 0 301.434 1.480 10 0 DDAERP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649299351 423733255 /nfs/dbraw/zinc/73/32/55/423733255.db2.gz MCJYVWHLSIKIHM-IAGOWNOFSA-N 2 0 317.433 1.003 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000173642781 281189681 /nfs/dbraw/zinc/18/96/81/281189681.db2.gz DLVYINZFQFSGEJ-DOTOQJQBSA-N 2 0 320.481 1.881 10 0 DDAERP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171906007 298239282 /nfs/dbraw/zinc/23/92/82/298239282.db2.gz PDMUYFZMCARHHH-MRXNPFEDSA-N 2 0 308.470 1.598 10 0 DDAERP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000397445307 302354670 /nfs/dbraw/zinc/35/46/70/302354670.db2.gz KFNLPQIEEXTRSZ-ZIAGYGMSSA-N 2 0 313.442 1.212 10 0 DDAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000381514184 325742268 /nfs/dbraw/zinc/74/22/68/325742268.db2.gz ZGIWPQHQMCQRHP-QGZVFWFLSA-N 2 0 303.450 1.967 10 0 DDAERP CCC[NH+]1CCN(c2nc(C)nc3c2NC(=O)[C@@H](C)N3)CC1 ZINC000224024077 697764193 /nfs/dbraw/zinc/76/41/93/697764193.db2.gz METXBYIEOZSYPF-SNVBAGLBSA-N 2 0 304.398 1.070 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)C[NH+](CC)CC)o1 ZINC000088543093 185256408 /nfs/dbraw/zinc/25/64/08/185256408.db2.gz WIPYGQLDHIVXLJ-GFCCVEGCSA-N 2 0 317.455 1.398 10 0 DDAERP CCC[C@@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)[NH+](C)C ZINC000162411615 290795823 /nfs/dbraw/zinc/79/58/23/290795823.db2.gz NTTBQIOELKZXIE-INIZCTEOSA-N 2 0 313.486 1.676 10 0 DDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000150752146 186063596 /nfs/dbraw/zinc/06/35/96/186063596.db2.gz HFRJRPPCQGIHEQ-DLBZAZTESA-N 2 0 322.497 1.844 10 0 DDAERP C[C@H]([NH3+])c1ccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091432827 193055430 /nfs/dbraw/zinc/05/54/30/193055430.db2.gz UTXNUXHVIVJJSV-JSGCOSHPSA-N 2 0 311.451 1.421 10 0 DDAERP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262307764 203256006 /nfs/dbraw/zinc/25/60/06/203256006.db2.gz AYVYBRYFBQIVMJ-HOTGVXAUSA-N 2 0 303.406 1.334 10 0 DDAERP C[NH2+][C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cnn(C)c1 ZINC000262419852 203289288 /nfs/dbraw/zinc/28/92/88/203289288.db2.gz RPFVSKCHJUVBFQ-GJZGRUSLSA-N 2 0 307.442 1.013 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000041681886 183216940 /nfs/dbraw/zinc/21/69/40/183216940.db2.gz ZAMYDQXXLMYIMU-AWEZNQCLSA-N 2 0 305.488 1.168 10 0 DDAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)CC1CCOCC1 ZINC000111170024 194398570 /nfs/dbraw/zinc/39/85/70/194398570.db2.gz KWSWHUNUWQUPOQ-INIZCTEOSA-N 2 0 300.443 1.796 10 0 DDAERP CC(C)[NH2+]CCCS(=O)(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062072952 184204617 /nfs/dbraw/zinc/20/46/17/184204617.db2.gz LGPHMYASDKZPFW-AWEZNQCLSA-N 2 0 305.488 1.026 10 0 DDAERP CN(CC1CC[NH+](C)CC1)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000063124971 184271760 /nfs/dbraw/zinc/27/17/60/184271760.db2.gz NMAGBTXEYJNUHE-OAHLLOKOSA-N 2 0 317.499 1.122 10 0 DDAERP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000638300966 422813069 /nfs/dbraw/zinc/81/30/69/422813069.db2.gz IIENKJFEBNQKNK-ZVZYQTTQSA-N 2 0 319.449 1.390 10 0 DDAERP CCC[NH+]1CCN(c2ccccc2CN2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000261683624 407578498 /nfs/dbraw/zinc/57/84/98/407578498.db2.gz AKBXLTCKQMYDRJ-AEFFLSMTSA-N 3 0 316.493 1.998 10 0 DDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000113591689 407518632 /nfs/dbraw/zinc/51/86/32/407518632.db2.gz OFQXEEQKSNBPES-PMPSAXMXSA-N 2 0 308.470 1.596 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)C1CCCCC1 ZINC000170829619 407522085 /nfs/dbraw/zinc/52/20/85/407522085.db2.gz WCNPQWLFMHZVMC-HZPDHXFCSA-N 2 0 310.486 1.842 10 0 DDAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000178849614 407624396 /nfs/dbraw/zinc/62/43/96/407624396.db2.gz TUNLFRXJCXWHNC-CABCVRRESA-N 2 0 311.470 1.510 10 0 DDAERP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262069038 407732405 /nfs/dbraw/zinc/73/24/05/407732405.db2.gz SGFCHPNYSDUPOB-HOCLYGCPSA-N 2 0 311.470 1.369 10 0 DDAERP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(OC)c1OC ZINC000262529715 407859188 /nfs/dbraw/zinc/85/91/88/407859188.db2.gz PKCAFOXKNOFYOV-BFHYXJOUSA-N 2 0 306.406 1.882 10 0 DDAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000156749586 408272155 /nfs/dbraw/zinc/27/21/55/408272155.db2.gz NAWUYTTUHGNFLA-BBRMVZONSA-N 2 0 308.470 1.641 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000247352278 408455978 /nfs/dbraw/zinc/45/59/78/408455978.db2.gz OBJHXOYTGZMDMI-XHSDSOJGSA-N 2 0 310.486 1.746 10 0 DDAERP COC(=O)[C@@]1(C)CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192833070 408659397 /nfs/dbraw/zinc/65/93/97/408659397.db2.gz JJNYXRZWJXXGPG-QGZVFWFLSA-N 2 0 311.470 1.430 10 0 DDAERP C[C@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000631844422 421882343 /nfs/dbraw/zinc/88/23/43/421882343.db2.gz XFDJWHZNVCRWEY-STQMWFEESA-N 2 0 301.390 1.199 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000247510594 278199907 /nfs/dbraw/zinc/19/99/07/278199907.db2.gz PMHFCEUTOIUICM-CVEARBPZSA-N 2 0 308.470 1.598 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000174238116 279293415 /nfs/dbraw/zinc/29/34/15/279293415.db2.gz PNPOTTBSUYOBRZ-CVEARBPZSA-N 2 0 310.486 1.987 10 0 DDAERP OC1(C[NH2+][C@H]2CCC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397492375 302355052 /nfs/dbraw/zinc/35/50/52/302355052.db2.gz AJRMNTHGGRLGEK-SFHVURJKSA-N 3 0 317.477 1.745 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[NH2+]C1 ZINC000400454078 302370002 /nfs/dbraw/zinc/37/00/02/302370002.db2.gz RWTQRTYRWKTWGH-CGTJXYLNSA-N 2 0 303.450 1.475 10 0 DDAERP COc1cc2c(c(OC)c1OC)[C@H](C[NH3+])N(CC[NH+](C)C)C2 ZINC000071684612 191008270 /nfs/dbraw/zinc/00/82/70/191008270.db2.gz VMYBVNFCOAWMHT-LBPRGKRZSA-N 2 0 309.410 1.089 10 0 DDAERP [NH3+]CC1CC[NH+](Cc2cc(=O)[nH]c(-c3ccc(F)cc3)n2)CC1 ZINC000073696181 191342793 /nfs/dbraw/zinc/34/27/93/191342793.db2.gz MKAYCYSTSNTDFZ-UHFFFAOYSA-N 2 0 316.380 1.747 10 0 DDAERP [NH3+][C@H]1CC[C@@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000237865428 202373782 /nfs/dbraw/zinc/37/37/82/202373782.db2.gz MMYXCELUZVWDKL-CVEARBPZSA-N 2 0 323.481 1.513 10 0 DDAERP C[NH2+][C@]1(CO)CCC[C@H]1CC[N@H+](CCCOC)CCOC ZINC000093617544 193275776 /nfs/dbraw/zinc/27/57/76/193275776.db2.gz WLSALFBZJQUZKX-HOTGVXAUSA-N 2 0 302.459 1.112 10 0 DDAERP CN(CCC[NH+](C)C)c1nc(C(F)(F)F)ccc1C(N)=[NH2+] ZINC000094336757 193361258 /nfs/dbraw/zinc/36/12/58/193361258.db2.gz OYWODDSUDUDQNK-UHFFFAOYSA-N 2 0 303.332 1.772 10 0 DDAERP CCC[N@H+](CCCC[C@](C)([NH2+]CC)C(N)=O)CCN(C)C ZINC000041675186 183215460 /nfs/dbraw/zinc/21/54/60/183215460.db2.gz YRAXXNZLUGJPOK-INIZCTEOSA-N 2 0 300.491 1.284 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000041681333 183216289 /nfs/dbraw/zinc/21/62/89/183216289.db2.gz ZOZRQIXNUAXHTR-CQSZACIVSA-N 2 0 305.488 1.122 10 0 DDAERP CC[C@H]1CN(c2ncc(Br)cc2C[NH3+])CC[N@@H+]1C ZINC000110750127 194356630 /nfs/dbraw/zinc/35/66/30/194356630.db2.gz KEHWSTVASSIHOM-LBPRGKRZSA-N 2 0 313.243 1.833 10 0 DDAERP CCc1ccc([C@@H](C[NH3+])N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061643131 184180622 /nfs/dbraw/zinc/18/06/22/184180622.db2.gz WGZASLQSSXCBAE-OAHLLOKOSA-N 2 0 310.511 1.490 10 0 DDAERP CN(CC1CC[NH+](C)CC1)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000063124969 184271888 /nfs/dbraw/zinc/27/18/88/184271888.db2.gz NMAGBTXEYJNUHE-HNNXBMFYSA-N 2 0 317.499 1.122 10 0 DDAERP CC(C)[NH+](CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C(C)C ZINC000113578063 407515564 /nfs/dbraw/zinc/51/55/64/407515564.db2.gz SLHUVUNPIZADMQ-HZPDHXFCSA-N 2 0 310.486 1.983 10 0 DDAERP [NH3+]C[C@@H]1CN(CC(=O)N2CCCCC2)C[C@H]1c1ccccc1 ZINC000261752449 407599797 /nfs/dbraw/zinc/59/97/97/407599797.db2.gz NKZCFOGGQGNLFT-SJORKVTESA-N 2 0 301.434 1.673 10 0 DDAERP CCN(Cc1noc(CN)n1)[C@H](C)Cc1ccc(OC)cc1 ZINC000261725235 407592365 /nfs/dbraw/zinc/59/23/65/407592365.db2.gz LNQJNTRHDOWDOW-GFCCVEGCSA-N 2 0 304.394 1.990 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000262054049 407727041 /nfs/dbraw/zinc/72/70/41/407727041.db2.gz ZZPOWNSZCUESTC-XMTFNYHQSA-N 2 0 309.498 1.854 10 0 DDAERP Cc1csc([C@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)n1 ZINC000262244471 407771264 /nfs/dbraw/zinc/77/12/64/407771264.db2.gz WJFJYQZBOYMFJK-AWEZNQCLSA-N 2 0 322.478 1.453 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245416436 407969924 /nfs/dbraw/zinc/96/99/24/407969924.db2.gz FCYVTGKZPBXYSQ-HOTGVXAUSA-N 2 0 308.470 1.598 10 0 DDAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1C ZINC000263150600 408040696 /nfs/dbraw/zinc/04/06/96/408040696.db2.gz DAMOCCZYWQJPSK-NOLJZWGESA-N 2 0 305.422 1.190 10 0 DDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000246010137 408118429 /nfs/dbraw/zinc/11/84/29/408118429.db2.gz IWWURAFMDQSTCH-FZKCQIBNSA-N 2 0 310.486 1.698 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000246189551 408170069 /nfs/dbraw/zinc/17/00/69/408170069.db2.gz MJVDRGQTFIYOQC-OAGGEKHMSA-N 2 0 310.486 1.985 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000247335127 408451001 /nfs/dbraw/zinc/45/10/01/408451001.db2.gz NELNKNDFVCXFHC-GVDBMIGSSA-N 2 0 324.513 1.992 10 0 DDAERP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390739467 418755485 /nfs/dbraw/zinc/75/54/85/418755485.db2.gz LGKICUWFODWDIK-OKZBNKHCSA-N 2 0 315.461 2.000 10 0 DDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000106916098 289289662 /nfs/dbraw/zinc/28/96/62/289289662.db2.gz NZYWLTNCVFYWIE-SJORKVTESA-N 2 0 303.450 1.712 10 0 DDAERP [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@H]12 ZINC000248584447 484234078 /nfs/dbraw/zinc/23/40/78/484234078.db2.gz FYBYXMZWXIKDJP-BHYGNILZSA-N 2 0 313.445 1.504 10 0 DDAERP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1ccc(F)cc1 ZINC000262030326 698451173 /nfs/dbraw/zinc/45/11/73/698451173.db2.gz XJWDGIRHMVSOOX-YLFCFFPRSA-N 2 0 308.397 1.606 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715161826 699274629 /nfs/dbraw/zinc/27/46/29/699274629.db2.gz VQOFLGUWLOZLHM-XBFCOCLRSA-N 2 0 311.376 1.463 10 0 DDAERP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(C)(C)O)C2)ccn1 ZINC000886097186 708697417 /nfs/dbraw/zinc/69/74/17/708697417.db2.gz ZPYJINJFRABZMO-MRXNPFEDSA-N 2 0 307.438 1.757 10 0 DDAERP COCCN(CCC[NH+](C)C)C(=O)CCC(C)(C)CC[NH3+] ZINC000087697235 185230802 /nfs/dbraw/zinc/23/08/02/185230802.db2.gz GDWWPYZCUWULCS-UHFFFAOYSA-N 2 0 301.475 1.568 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000249763251 282194565 /nfs/dbraw/zinc/19/45/65/282194565.db2.gz MRVQRUSFOIMHSP-PMPSAXMXSA-N 2 0 310.486 1.890 10 0 DDAERP C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248396437 299118993 /nfs/dbraw/zinc/11/89/93/299118993.db2.gz GZAUMKLXOUROHK-YQQAZPJKSA-N 2 0 322.497 1.985 10 0 DDAERP C[C@@H](CN1Cc2ccc(F)cc2[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000071683112 191006412 /nfs/dbraw/zinc/00/64/12/191006412.db2.gz DAHIRTHVNUOAFH-DYVFJYSZSA-N 2 0 307.413 1.609 10 0 DDAERP Cc1cccc(NC[C@@H]2CC[N@H+](CCCN3CCOCC3)C2)n1 ZINC000173779720 198250628 /nfs/dbraw/zinc/25/06/28/198250628.db2.gz DHLHIMPMEVNBNP-KRWDZBQOSA-N 2 0 318.465 1.846 10 0 DDAERP C[C@@H]1CCC[C@@](C[NH2+]C(C)(C)C)(C[NH+](CCO)CCO)C1 ZINC000089617720 192827299 /nfs/dbraw/zinc/82/72/99/192827299.db2.gz IQMCVKKPCCCVPD-NVXWUHKLSA-N 2 0 300.487 1.858 10 0 DDAERP CC(C)CN(CC[NH+](C)C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321484 193039908 /nfs/dbraw/zinc/03/99/08/193039908.db2.gz KANNBCFSYYCVJB-CQSZACIVSA-N 2 0 300.491 1.138 10 0 DDAERP CCCS(=O)(=O)N1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000094085734 193344032 /nfs/dbraw/zinc/34/40/32/193344032.db2.gz LJGRSFYQTRGFFM-UHFFFAOYSA-N 2 0 303.472 1.050 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000041681749 183216830 /nfs/dbraw/zinc/21/68/30/183216830.db2.gz OUVOSOHJMHUVSR-ZDUSSCGKSA-N 2 0 313.467 1.669 10 0 DDAERP C[NH+](C)CC1CCN(S(=O)(=O)c2ccc(C[NH3+])s2)CC1 ZINC000042388852 183262206 /nfs/dbraw/zinc/26/22/06/183262206.db2.gz UDAFBOXVEJIDEQ-UHFFFAOYSA-N 2 0 317.480 1.169 10 0 DDAERP C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000043412208 183360856 /nfs/dbraw/zinc/36/08/56/183360856.db2.gz NQXYZUDZPAPXFE-LBPRGKRZSA-N 2 0 313.467 1.586 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105079468 194070333 /nfs/dbraw/zinc/07/03/33/194070333.db2.gz CVMVEACODFKGCG-INIZCTEOSA-N 2 0 308.470 1.739 10 0 DDAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000111133365 194394100 /nfs/dbraw/zinc/39/41/00/194394100.db2.gz QGQWSXKCMSKYQE-JTQLQIEISA-N 2 0 304.232 1.925 10 0 DDAERP CCN[C@](C)(CCC[N@H+](C)CCC[NH+](C)C)C(=O)OCC ZINC000111145824 194395507 /nfs/dbraw/zinc/39/55/07/194395507.db2.gz QUGNQKMSNLCCRA-MRXNPFEDSA-N 2 0 301.475 1.581 10 0 DDAERP CN(Cc1ccc(Br)cc1)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990417 184199526 /nfs/dbraw/zinc/19/95/26/184199526.db2.gz NYHGLNVYJLQBIU-CQSZACIVSA-N 2 0 312.255 1.914 10 0 DDAERP C[NH2+]Cc1c(N2CCC[N@@H+]3CCC[C@@H]3C2)nc2sccn12 ZINC000062941335 184261234 /nfs/dbraw/zinc/26/12/34/184261234.db2.gz HASSSAPUYBEVSY-GFCCVEGCSA-N 2 0 305.451 1.790 10 0 DDAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2cc3c(c(Cl)c2)OCO3)C1 ZINC000062964490 184263245 /nfs/dbraw/zinc/26/32/45/184263245.db2.gz FPBOLEWPWZCNEP-AAEUAGOBSA-N 2 0 311.813 1.704 10 0 DDAERP C[N@H+](CCCO)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915683 407357282 /nfs/dbraw/zinc/35/72/82/407357282.db2.gz KPWUOSKBWVQZIQ-GOSISDBHSA-N 2 0 306.450 1.746 10 0 DDAERP CCC[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)[NH+](C)C ZINC000125902980 407401235 /nfs/dbraw/zinc/40/12/35/407401235.db2.gz KEQJCIXCTNUYFT-INIZCTEOSA-N 2 0 321.465 1.974 10 0 DDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170833556 407523816 /nfs/dbraw/zinc/52/38/16/407523816.db2.gz NIXWTLWHNHWFKY-CABCVRRESA-N 2 0 310.486 1.842 10 0 DDAERP C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261713644 407590762 /nfs/dbraw/zinc/59/07/62/407590762.db2.gz MUHDRWCOHVQQLV-XYVMCAHJSA-N 2 0 315.461 1.869 10 0 DDAERP C[C@@H](CNC(=O)C1([NH3+])CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000261797234 407620262 /nfs/dbraw/zinc/62/02/62/407620262.db2.gz IRTIRSUGMRXGOT-AWEZNQCLSA-N 2 0 305.422 1.131 10 0 DDAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261985664 407700937 /nfs/dbraw/zinc/70/09/37/407700937.db2.gz SAVIKOFVZMHZOJ-ZACQAIPSSA-N 2 0 306.454 1.326 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262258742 407776054 /nfs/dbraw/zinc/77/60/54/407776054.db2.gz JGRPESSVJRPGCC-CJNGLKHVSA-N 2 0 305.422 1.973 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000262374575 407817421 /nfs/dbraw/zinc/81/74/21/407817421.db2.gz XBISXJIKTSGEKP-QGZVFWFLSA-N 2 0 319.449 1.653 10 0 DDAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263242952 408072444 /nfs/dbraw/zinc/07/24/44/408072444.db2.gz CMFABFZEASCWRM-AWEZNQCLSA-N 2 0 301.434 1.897 10 0 DDAERP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])COC)c1cccc(OC)c1 ZINC000263248590 408073216 /nfs/dbraw/zinc/07/32/16/408073216.db2.gz NXQDASXJDGUVTA-CVEARBPZSA-N 2 0 323.437 1.168 10 0 DDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[NH+](CC)C2)C1 ZINC000246399029 408245981 /nfs/dbraw/zinc/24/59/81/408245981.db2.gz RKBNNMDINPDIIV-CVEARBPZSA-N 2 0 310.486 1.844 10 0 DDAERP CC[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1C[C@H](C)O ZINC000246507464 408277911 /nfs/dbraw/zinc/27/79/11/408277911.db2.gz QFQFPAKJEWILRN-BBRMVZONSA-N 2 0 305.422 1.063 10 0 DDAERP O[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000151260276 408285849 /nfs/dbraw/zinc/28/58/49/408285849.db2.gz JOVLYOPYXVALFO-CQSZACIVSA-N 2 0 323.403 1.450 10 0 DDAERP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171645019 162232968 /nfs/dbraw/zinc/23/29/68/162232968.db2.gz XYNJUSMZVYUUBE-QGZVFWFLSA-N 2 0 320.481 1.741 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000173830721 162368163 /nfs/dbraw/zinc/36/81/63/162368163.db2.gz MJVDRGQTFIYOQC-BZUAXINKSA-N 2 0 310.486 1.985 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000247376785 408458960 /nfs/dbraw/zinc/45/89/60/408458960.db2.gz PNHKJGVNSUPCLY-KFWWJZLASA-N 2 0 312.502 1.991 10 0 DDAERP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000183714059 408474613 /nfs/dbraw/zinc/47/46/13/408474613.db2.gz ZUEFNKWCAFXHCX-UONOGXRCSA-N 2 0 300.443 1.543 10 0 DDAERP CCC[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000161609118 408621064 /nfs/dbraw/zinc/62/10/64/408621064.db2.gz RACFTTSYKTVFEV-INIZCTEOSA-N 2 0 311.470 1.288 10 0 DDAERP Cc1cccc(NC[C@@H]2CCN(Cc3nc(N(C)C)no3)C2)[nH+]1 ZINC000185264677 408788117 /nfs/dbraw/zinc/78/81/17/408788117.db2.gz NXITXWQKEXVKEQ-ZDUSSCGKSA-N 2 0 316.409 1.773 10 0 DDAERP CC[NH+]1CCC(CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246859624 279256516 /nfs/dbraw/zinc/25/65/16/279256516.db2.gz FNPDKESZVRPFOC-NVXWUHKLSA-N 2 0 322.497 1.987 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000245474078 279298159 /nfs/dbraw/zinc/29/81/59/279298159.db2.gz QNSPLVRMHXKZSM-GDBMZVCRSA-N 2 0 308.470 1.596 10 0 DDAERP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261819512 279344569 /nfs/dbraw/zinc/34/45/69/279344569.db2.gz SEHAVNPBABGBSV-UAGQMJEPSA-N 2 0 303.450 1.916 10 0 DDAERP C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@H]1CC[NH2+]C1 ZINC000400730853 302370543 /nfs/dbraw/zinc/37/05/43/302370543.db2.gz IVNVRQWRVRPDDK-QWRGUYRKSA-N 2 0 301.232 1.623 10 0 DDAERP CC(C)[NH2+]Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)o1 ZINC000088550744 185257364 /nfs/dbraw/zinc/25/73/64/185257364.db2.gz WYCJFVTWTZEPKG-GFCCVEGCSA-N 2 0 315.439 1.102 10 0 DDAERP CC[NH+](CC)CCNS(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088541944 185255562 /nfs/dbraw/zinc/25/55/62/185255562.db2.gz YUKMKTVVNOEETK-UHFFFAOYSA-N 2 0 317.455 1.398 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccsc1C[NH3+] ZINC000092680036 185333489 /nfs/dbraw/zinc/33/34/89/185333489.db2.gz LTJKARPLSHBTTM-NSHDSACASA-N 2 0 317.480 1.312 10 0 DDAERP Cc1ccc(C[NH3+])cc1S(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000070430406 190890619 /nfs/dbraw/zinc/89/06/19/190890619.db2.gz LZFBEWBIIBDDNP-UHFFFAOYSA-N 2 0 311.451 1.168 10 0 DDAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000170834754 306683027 /nfs/dbraw/zinc/68/30/27/306683027.db2.gz AZXNLFBHRDVZDL-IAGOWNOFSA-N 2 0 318.465 1.943 10 0 DDAERP C[NH+](C)[C@H]1CCCN(c2cc(N[C@@H]3CCCOC3)ncn2)C1 ZINC000328621462 354548553 /nfs/dbraw/zinc/54/85/53/354548553.db2.gz AMVDCEHZCDCEIH-KGLIPLIRSA-N 2 0 305.426 1.598 10 0 DDAERP O[C@H](CN1CC[NH+](CC2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000178980570 198963676 /nfs/dbraw/zinc/96/36/76/198963676.db2.gz ISGCNHFFFVIMRZ-GOSISDBHSA-N 2 0 303.450 1.337 10 0 DDAERP C[C@H]([NH3+])c1cccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091449607 193057854 /nfs/dbraw/zinc/05/78/54/193057854.db2.gz LWYFWYQPAANJTM-JSGCOSHPSA-N 2 0 311.451 1.421 10 0 DDAERP C[NH2+]Cc1cccc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091432456 193055413 /nfs/dbraw/zinc/05/54/13/193055413.db2.gz HWYZNNAOBAJJDW-AWEZNQCLSA-N 2 0 311.451 1.121 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000091470805 193060704 /nfs/dbraw/zinc/06/07/04/193060704.db2.gz XHAXRGRMWVGUIO-CYBMUJFWSA-N 2 0 313.511 1.980 10 0 DDAERP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H]1Cc2ccccc2S1 ZINC000092267678 193182692 /nfs/dbraw/zinc/18/26/92/193182692.db2.gz SAKDLFJPHZSFJA-AWEZNQCLSA-N 2 0 305.447 1.067 10 0 DDAERP CCC[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)CC(C)(C)C[NH3+] ZINC000093891797 193324094 /nfs/dbraw/zinc/32/40/94/193324094.db2.gz PMUBLMDKQIIYHA-CQSZACIVSA-N 2 0 319.515 1.355 10 0 DDAERP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NCC[N@H+](C)C2CC2)c1 ZINC000062010787 184201362 /nfs/dbraw/zinc/20/13/62/184201362.db2.gz OWTKOBNMYGYPCK-OAHLLOKOSA-N 2 0 311.451 1.469 10 0 DDAERP CC[C@H]([NH3+])c1cccc(S(=O)(=O)NCC[N@H+](C)C2CC2)c1 ZINC000062010786 184201370 /nfs/dbraw/zinc/20/13/70/184201370.db2.gz OWTKOBNMYGYPCK-HNNXBMFYSA-N 2 0 311.451 1.469 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000080012887 407068796 /nfs/dbraw/zinc/06/87/96/407068796.db2.gz MLDYJCXKDUPQMF-HZPDHXFCSA-N 2 0 312.502 1.994 10 0 DDAERP CC(C)[NH+]1CCC(N2CC[N@H+](CC3CC3)C[C@H]2CCO)CC1 ZINC000106980816 407368668 /nfs/dbraw/zinc/36/86/68/407368668.db2.gz WWUXWURBKNMYNE-GOSISDBHSA-N 2 0 309.498 1.638 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000124861213 407371420 /nfs/dbraw/zinc/37/14/20/407371420.db2.gz NLVBLXWMJCTEOG-KGLIPLIRSA-N 2 0 322.457 1.295 10 0 DDAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261778092 407613066 /nfs/dbraw/zinc/61/30/66/407613066.db2.gz FGVRJVQZZSEDTJ-QZTJIDSGSA-N 3 0 302.466 1.835 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000152421556 407632336 /nfs/dbraw/zinc/63/23/36/407632336.db2.gz SQULVPHWGZEBMT-HZPDHXFCSA-N 2 0 310.486 1.842 10 0 DDAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2([NH3+])CCOCC2)C1 ZINC000261903766 407663226 /nfs/dbraw/zinc/66/32/26/407663226.db2.gz RZDMESQBCFAJGR-OKILXGFUSA-N 2 0 311.470 1.367 10 0 DDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(C[NH3+])CCOCC1 ZINC000262087674 407735774 /nfs/dbraw/zinc/73/57/74/407735774.db2.gz CTILKYQMFDVGPO-ZNMIVQPWSA-N 2 0 311.470 1.225 10 0 DDAERP C(=C/CN1CC[NH+]2CCC[C@H]2C1)\CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179527793 407803932 /nfs/dbraw/zinc/80/39/32/407803932.db2.gz SBCUBXAPHHRWMN-KVHJKKSTSA-N 2 0 304.482 1.103 10 0 DDAERP CCOCC[N@@H+]1CCN(c2ccncc2C(N)=O)C[C@H]1CC ZINC000180029315 407848046 /nfs/dbraw/zinc/84/80/46/407848046.db2.gz GJTBCZGLJVVXJV-CYBMUJFWSA-N 2 0 306.410 1.118 10 0 DDAERP COCCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000151118550 408260004 /nfs/dbraw/zinc/26/00/04/408260004.db2.gz PPCQYDHFYVLTDI-HNNXBMFYSA-N 2 0 320.437 1.277 10 0 DDAERP CCC[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000246748538 408330373 /nfs/dbraw/zinc/33/03/73/408330373.db2.gz ZRJDSGMOJVGPCF-OAGGEKHMSA-N 2 0 310.486 1.131 10 0 DDAERP C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151299493 408290761 /nfs/dbraw/zinc/29/07/61/408290761.db2.gz HXPRWIMOZQVZRY-HOCLYGCPSA-N 2 0 320.433 1.955 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000132360231 162035670 /nfs/dbraw/zinc/03/56/70/162035670.db2.gz BSWIOMZVOPTQJZ-ARFHVFGLSA-N 2 0 310.486 1.841 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000176374425 408351910 /nfs/dbraw/zinc/35/19/10/408351910.db2.gz TWFIUXVNLVXRCN-CQSZACIVSA-N 2 0 322.457 1.393 10 0 DDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000172494081 162278206 /nfs/dbraw/zinc/27/82/06/162278206.db2.gz YUUZICXCFKBHCQ-JKSUJKDBSA-N 2 0 308.470 1.741 10 0 DDAERP CCOCCN1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@@H]1C ZINC000246984654 408380242 /nfs/dbraw/zinc/38/02/42/408380242.db2.gz FSFBVYZCDWDFST-JKSUJKDBSA-N 2 0 311.470 1.430 10 0 DDAERP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000665283715 424773810 /nfs/dbraw/zinc/77/38/10/424773810.db2.gz SUDRHOQKISPOIA-RTBURBONSA-N 2 0 316.493 1.534 10 0 DDAERP CC1(C)CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[C@H]1[NH3+] ZINC000261851777 276129035 /nfs/dbraw/zinc/12/90/35/276129035.db2.gz MMZZNXZWKOQYSQ-MRXNPFEDSA-N 2 0 301.434 1.574 10 0 DDAERP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105103300 277384229 /nfs/dbraw/zinc/38/42/29/277384229.db2.gz QKOHQKDBXQGFBJ-KRWDZBQOSA-N 2 0 322.497 1.987 10 0 DDAERP [NH3+]CCc1cccc(CN2CCC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077537250 295240842 /nfs/dbraw/zinc/24/08/42/295240842.db2.gz CEIUMLLUZZIKSG-IBGZPJMESA-N 2 0 317.477 1.611 10 0 DDAERP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262135503 484264255 /nfs/dbraw/zinc/26/42/55/484264255.db2.gz OQDWADUKVQQCJN-KEYYUXOJSA-N 2 0 319.449 1.697 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261605934 698428769 /nfs/dbraw/zinc/42/87/69/698428769.db2.gz BAZVAZACMFKMSS-DJIMGWMZSA-N 2 0 301.434 1.575 10 0 DDAERP COCCN(CCC[NH+](C)C)C(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087697238 185230846 /nfs/dbraw/zinc/23/08/46/185230846.db2.gz RUSZUTHMVGKHHP-LSDHHAIUSA-N 2 0 301.475 1.567 10 0 DDAERP Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1C[NH3+] ZINC000092679047 185333443 /nfs/dbraw/zinc/33/34/43/185333443.db2.gz VHDDXYCXJQFYFU-CQSZACIVSA-N 2 0 311.451 1.168 10 0 DDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000237013256 202121352 /nfs/dbraw/zinc/12/13/52/202121352.db2.gz WUJGOWBXAFGKCS-IUODEOHRSA-N 2 0 305.426 1.145 10 0 DDAERP CCC[N@H+]([C@H]1CCC[C@@H]1S(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000091851607 193118311 /nfs/dbraw/zinc/11/83/11/193118311.db2.gz JATFZXPTGJFCEM-WUCCLRPBSA-N 2 0 302.484 1.934 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)c(F)c1 ZINC000092116180 193163932 /nfs/dbraw/zinc/16/39/32/193163932.db2.gz RPUPLHBASWQNPZ-UHFFFAOYSA-N 2 0 317.430 1.117 10 0 DDAERP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262307763 203256190 /nfs/dbraw/zinc/25/61/90/203256190.db2.gz AYVYBRYFBQIVMJ-CVEARBPZSA-N 2 0 303.406 1.334 10 0 DDAERP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000093520481 193262981 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COCCN([C@H](C)COC)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000042606596 183290453 /nfs/dbraw/zinc/29/04/53/183290453.db2.gz DNWQNCIBUUSWMJ-OAHLLOKOSA-N 2 0 301.475 1.171 10 0 DDAERP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105127604 194076908 /nfs/dbraw/zinc/07/69/08/194076908.db2.gz WRRNDMDCERGCHG-HZPDHXFCSA-N 2 0 308.470 1.598 10 0 DDAERP COc1ccc(CN(CC[NH3+])CC[NH3+])cc1Br ZINC000061806393 184188351 /nfs/dbraw/zinc/18/83/51/184188351.db2.gz YTWLAYQOYRYJMY-UHFFFAOYSA-N 2 0 302.216 1.177 10 0 DDAERP C[NH2+]Cc1c(N2CC[C@H]([NH+]3CCCC3)C2)nc2sccn12 ZINC000062981886 184264409 /nfs/dbraw/zinc/26/44/09/184264409.db2.gz NYCCHVRONRNASW-LBPRGKRZSA-N 2 0 305.451 1.790 10 0 DDAERP C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261713636 407590461 /nfs/dbraw/zinc/59/04/61/407590461.db2.gz MUHDRWCOHVQQLV-CYGHRXIMSA-N 2 0 315.461 1.869 10 0 DDAERP CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261543452 407542678 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DDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1CCOC ZINC000262729068 407909603 /nfs/dbraw/zinc/90/96/03/407909603.db2.gz BGTXMWRJMGORIJ-VYDXJSESSA-N 2 0 311.470 1.463 10 0 DDAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1C[NH2+]C1 ZINC000263321328 408107780 /nfs/dbraw/zinc/10/77/80/408107780.db2.gz RMSVYNLCDCMPKM-HALDLXJZSA-N 2 0 301.434 1.479 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000246126158 408146766 /nfs/dbraw/zinc/14/67/66/408146766.db2.gz ANGRUYHRELSXEW-JYYAWHABSA-N 2 0 320.481 1.880 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000176223035 408314352 /nfs/dbraw/zinc/31/43/52/408314352.db2.gz QNSPLVRMHXKZSM-GOEBONIOSA-N 2 0 308.470 1.596 10 0 DDAERP CC1CC[NH+](CCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171899146 162246200 /nfs/dbraw/zinc/24/62/00/162246200.db2.gz FSOLTFQXAPDBIQ-MRXNPFEDSA-N 2 0 308.470 1.598 10 0 DDAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)C[NH+]1CCCCC1 ZINC000247508243 408485165 /nfs/dbraw/zinc/48/51/65/408485165.db2.gz VPCXBJCJMKFGOH-IKGGRYGDSA-N 2 0 322.497 1.987 10 0 DDAERP CO[C@H]1C[NH2+][C@@H](C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000309567244 409783868 /nfs/dbraw/zinc/78/38/68/409783868.db2.gz XRMVRCDMYKAHDH-HZPDHXFCSA-N 2 0 305.422 1.002 10 0 DDAERP C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000351884713 410316929 /nfs/dbraw/zinc/31/69/29/410316929.db2.gz FIAGRXAXVOTJBQ-BHYGNILZSA-N 2 0 301.434 1.765 10 0 DDAERP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389864921 418751363 /nfs/dbraw/zinc/75/13/63/418751363.db2.gz GFROGLWGTQUFAL-UAGQMJEPSA-N 2 0 303.450 1.997 10 0 DDAERP C[C@H](C(N)=O)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247127157 289392934 /nfs/dbraw/zinc/39/29/34/289392934.db2.gz KCSSXSBDFACZTI-RHSMWYFYSA-N 2 0 319.449 1.238 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000573593245 308245863 /nfs/dbraw/zinc/24/58/63/308245863.db2.gz LZLIULACBZIRQO-QXAKKESOSA-N 2 0 317.477 1.865 10 0 DDAERP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262326353 484268872 /nfs/dbraw/zinc/26/88/72/484268872.db2.gz RVCMOGSXRLEEEM-SJORKVTESA-N 2 0 319.449 1.229 10 0 DDAERP O=C(CC[C@H]1CCC[NH2+]1)N1CCN(Cc2cccs2)CC1 ZINC000261668389 698431831 /nfs/dbraw/zinc/43/18/31/698431831.db2.gz LDBSQGPULFGELJ-CQSZACIVSA-N 2 0 307.463 1.925 10 0 DDAERP O=C(NCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)C(F)(F)F ZINC000261970156 698447789 /nfs/dbraw/zinc/44/77/89/698447789.db2.gz QFRSXLFAIIHNCA-GFCCVEGCSA-N 2 0 307.360 1.377 10 0 DDAERP O=C1NCCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716670500 699283411 /nfs/dbraw/zinc/28/34/11/699283411.db2.gz NHIAFWQYIZIGSM-XWTMOSNGSA-N 2 0 313.445 1.908 10 0 DDAERP CC(C)(C)[C@H](CC[NH3+])CCC[NH2+][C@@]1(C)CCS(=O)(=O)C1 ZINC000079296495 185163777 /nfs/dbraw/zinc/16/37/77/185163777.db2.gz LBMBJQGLWFDNKE-ZFWWWQNUSA-N 2 0 304.500 1.945 10 0 DDAERP C[NH+]1CCC(Oc2cccc3c2CN(CCCO)[C@H]3C[NH3+])CC1 ZINC000071684979 191008232 /nfs/dbraw/zinc/00/82/32/191008232.db2.gz YQUHPBFILBNTCC-KRWDZBQOSA-N 2 0 319.449 1.357 10 0 DDAERP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])(SC)CC1 ZINC000091472599 193061157 /nfs/dbraw/zinc/06/11/57/193061157.db2.gz HXEPVBCUXZIOMQ-LBPRGKRZSA-N 2 0 301.500 1.836 10 0 DDAERP COCC[NH+](CCOC)[C@H]1CCC[C@](CO)([NH2+]C(C)C)C1 ZINC000093783328 193307509 /nfs/dbraw/zinc/30/75/09/193307509.db2.gz XCGBHVVCNKEQFV-HOTGVXAUSA-N 2 0 302.459 1.253 10 0 DDAERP CC(C)[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000094012321 193338365 /nfs/dbraw/zinc/33/83/65/193338365.db2.gz PBJWUYXESXDKPE-CABCVRRESA-N 2 0 302.484 1.662 10 0 DDAERP COCC[N@H+]([C@H](C)COC)[C@@H]1CC[C@@](CO)([NH2+]C2CC2)C1 ZINC000093857024 193320059 /nfs/dbraw/zinc/32/00/59/193320059.db2.gz GPVOGFTVUSPBQF-FVQBIDKESA-N 2 0 300.443 1.005 10 0 DDAERP [NH3+]CCCN1CC[NH+]([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094364368 193365868 /nfs/dbraw/zinc/36/58/68/193365868.db2.gz ICCWKHJCPDRVIC-OAHLLOKOSA-N 2 0 313.511 1.398 10 0 DDAERP CS(=O)(=O)[C@H]1CCC[C@@H]([NH+]2CCC(C[NH2+]C3CC3)CC2)C1 ZINC000094644256 193389686 /nfs/dbraw/zinc/38/96/86/193389686.db2.gz CNFAWMKCAPLORU-CVEARBPZSA-N 2 0 314.495 1.806 10 0 DDAERP c1cc[n+](CCOCCOCCOCC[n+]2ccccc2)cc1 ZINC000038637244 183005682 /nfs/dbraw/zinc/00/56/82/183005682.db2.gz ZJWLVOLKDRWFNO-UHFFFAOYSA-N 2 0 318.417 1.012 10 0 DDAERP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCCC[NH+](C)C)cc1 ZINC000041681718 183216239 /nfs/dbraw/zinc/21/62/39/183216239.db2.gz JJAHZBNGECFJHJ-ZDUSSCGKSA-N 2 0 313.467 1.587 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COC(C)(C)C)CC1 ZINC000105915500 194168777 /nfs/dbraw/zinc/16/87/77/194168777.db2.gz FMPSGYVTZGXCFB-HOCLYGCPSA-N 2 0 316.486 1.187 10 0 DDAERP CN(Cc1ccccc1Br)[C@@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990425 184200110 /nfs/dbraw/zinc/20/01/10/184200110.db2.gz OCXIDMNAOFJZAH-CQSZACIVSA-N 2 0 312.255 1.914 10 0 DDAERP [NH3+]Cc1ccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000062941574 184261777 /nfs/dbraw/zinc/26/17/77/184261777.db2.gz IHCSCDPKXOBWSC-CQSZACIVSA-N 2 0 309.435 1.004 10 0 DDAERP CN(CC1CC[NH+](C)CC1)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000063125839 184271960 /nfs/dbraw/zinc/27/19/60/184271960.db2.gz XCZMCZFYBFMDQI-UHFFFAOYSA-N 2 0 311.817 1.434 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000080012980 407068208 /nfs/dbraw/zinc/06/82/08/407068208.db2.gz IDJDDMDDFJMSTL-MRXNPFEDSA-N 2 0 310.486 1.700 10 0 DDAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261698711 407583101 /nfs/dbraw/zinc/58/31/01/407583101.db2.gz BJNLXQFFJILGSJ-ZBFHGGJFSA-N 2 0 311.470 1.511 10 0 DDAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000178849622 407623878 /nfs/dbraw/zinc/62/38/78/407623878.db2.gz TUNLFRXJCXWHNC-GJZGRUSLSA-N 2 0 311.470 1.510 10 0 DDAERP COCC[N@H+](C)CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000171193067 407624085 /nfs/dbraw/zinc/62/40/85/407624085.db2.gz BYHIWPLBQPYDKT-MRXNPFEDSA-N 2 0 322.453 1.167 10 0 DDAERP CN(C)c1nccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261737502 407595573 /nfs/dbraw/zinc/59/55/73/407595573.db2.gz OWCULAXCUZSFFN-WBVHZDCISA-N 2 0 311.433 1.717 10 0 DDAERP COCCN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000261929645 407676330 /nfs/dbraw/zinc/67/63/30/407676330.db2.gz LKLAMDFBCBGLHV-HRCADAONSA-N 2 0 304.438 1.333 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000262302924 407791467 /nfs/dbraw/zinc/79/14/67/407791467.db2.gz OCKJZRQNZDKMEN-OIISXLGYSA-N 2 0 319.449 1.377 10 0 DDAERP CCC[C@@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[NH+](C)C ZINC000135211595 407992825 /nfs/dbraw/zinc/99/28/25/407992825.db2.gz FTVYOJQWXWYLCZ-HNNXBMFYSA-N 2 0 322.453 1.369 10 0 DDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171903977 162246852 /nfs/dbraw/zinc/24/68/52/162246852.db2.gz YWWDHGFSRXIIEV-HZPDHXFCSA-N 2 0 322.497 1.987 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000172251330 162266614 /nfs/dbraw/zinc/26/66/14/162266614.db2.gz BPYDKJSXJXEFTK-WMLDXEAASA-N 2 0 320.481 1.739 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000194161157 408769027 /nfs/dbraw/zinc/76/90/27/408769027.db2.gz KHIVWJMLUXKDMR-CVEARBPZSA-N 2 0 310.486 1.892 10 0 DDAERP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195336355 163318157 /nfs/dbraw/zinc/31/81/57/163318157.db2.gz WHQNPTQXXZIUMO-QZTJIDSGSA-N 2 0 313.445 1.958 10 0 DDAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000384467970 418734764 /nfs/dbraw/zinc/73/47/64/418734764.db2.gz MBRNIYDRLAVILA-DOTOQJQBSA-N 2 0 303.450 1.965 10 0 DDAERP CCN(CC)C(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588802 279077327 /nfs/dbraw/zinc/07/73/27/279077327.db2.gz VPUQEQSMCOWRHI-CABCVRRESA-N 2 0 313.486 1.268 10 0 DDAERP C[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000111606363 279204233 /nfs/dbraw/zinc/20/42/33/279204233.db2.gz RNLHPMVUGUCOSG-PBHICJAKSA-N 2 0 301.434 1.596 10 0 DDAERP CC[C@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000245702296 281130775 /nfs/dbraw/zinc/13/07/75/281130775.db2.gz CQOXGWQRBYSUOZ-HOCLYGCPSA-N 2 0 311.470 1.070 10 0 DDAERP Cc1nccn1CCCN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000122429607 281156357 /nfs/dbraw/zinc/15/63/57/281156357.db2.gz ZUDSSFRGAWDXAO-HOCLYGCPSA-N 2 0 321.469 1.952 10 0 DDAERP C[C@H]1C[NH+](CCOCC[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000247027158 282029932 /nfs/dbraw/zinc/02/99/32/282029932.db2.gz MCXMWBFXCILVFX-KBPBESRZSA-N 2 0 304.525 1.878 10 0 DDAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)[C@H](C)C1 ZINC000089732302 521721673 /nfs/dbraw/zinc/72/16/73/521721673.db2.gz XATSDZVKLFQPID-OAGGEKHMSA-N 2 0 303.454 1.765 10 0 DDAERP O=C(CC[NH+]1CCC(c2nccs2)CC1)N1CC[NH2+]CC1 ZINC000262166165 698457531 /nfs/dbraw/zinc/45/75/31/698457531.db2.gz QEJCYIJXNZZVMV-UHFFFAOYSA-N 2 0 308.451 1.144 10 0 DDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1CC([NH3+])C1 ZINC000708588236 699250416 /nfs/dbraw/zinc/25/04/16/699250416.db2.gz AULHDUYJTYVXEO-PXZKZTPFSA-N 2 0 301.434 1.608 10 0 DDAERP CC[NH+](CC)CCN[C@H](C[NH3+])c1ccc(Br)o1 ZINC000087912502 185237244 /nfs/dbraw/zinc/23/72/44/185237244.db2.gz IAQYJUPGZWSVQG-SNVBAGLBSA-N 2 0 304.232 1.973 10 0 DDAERP C[NH+](C)C[C@H]1CCCN1c1nc(NN)[nH+]cc1Br ZINC000087870064 185234068 /nfs/dbraw/zinc/23/40/68/185234068.db2.gz PQXIWESEQCLECH-MRVPVSSYSA-N 2 0 315.219 1.055 10 0 DDAERP COCC[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000185175623 539245760 /nfs/dbraw/zinc/24/57/60/539245760.db2.gz PYQGQDTWZLOEKH-UHFFFAOYSA-N 2 0 309.429 1.522 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](CC)C2)o1 ZINC000088542435 185256429 /nfs/dbraw/zinc/25/64/29/185256429.db2.gz CVPMFSGANVAXKA-LBPRGKRZSA-N 2 0 315.439 1.009 10 0 DDAERP C[C@@H]([NH3+])Cc1c(N2CCC[C@H]([NH+](C)C)C2)nc2sccn12 ZINC000091433272 193055355 /nfs/dbraw/zinc/05/53/55/193055355.db2.gz UBPJBMRYKVESBT-NEPJUHHUSA-N 2 0 307.467 1.816 10 0 DDAERP CC[NH2+][C@]1(CO)CCC[C@@H]([N@H+](CCOC)[C@@H](C)COC)C1 ZINC000093783353 193307653 /nfs/dbraw/zinc/30/76/53/193307653.db2.gz JQYUNLJLQLKLEP-ARFHVFGLSA-N 2 0 302.459 1.253 10 0 DDAERP CN(c1ncnc(Nc2cc[nH+]cc2)c1N)C1CC[NH+](C)CC1 ZINC000040687678 183117810 /nfs/dbraw/zinc/11/78/10/183117810.db2.gz GTQNKTPWJBAVCS-UHFFFAOYSA-N 2 0 313.409 1.728 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000041681875 183216796 /nfs/dbraw/zinc/21/67/96/183216796.db2.gz PGOQIPTYTSTLJO-AWEZNQCLSA-N 2 0 305.488 1.026 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C[NH+](C)C)C(C)C)cc1 ZINC000049227255 183720847 /nfs/dbraw/zinc/72/08/47/183720847.db2.gz WPHBVNBPZVJIKW-OAHLLOKOSA-N 2 0 313.467 1.271 10 0 DDAERP C[C@@H](C(N)=O)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862786 407356753 /nfs/dbraw/zinc/35/67/53/407356753.db2.gz KCSSXSBDFACZTI-YOEHRIQHSA-N 2 0 319.449 1.238 10 0 DDAERP [NH3+][C@@H]1CC[C@H]2CN(CC(=O)N3CCc4sccc4C3)C[C@@H]12 ZINC000261714783 407589503 /nfs/dbraw/zinc/58/95/03/407589503.db2.gz PNBDQXUFXSRPHR-IACUBPJLSA-N 2 0 305.447 1.302 10 0 DDAERP C[NH+](C)[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000170829578 407521219 /nfs/dbraw/zinc/52/12/19/407521219.db2.gz DQNDLFNKPADEQF-KRWDZBQOSA-N 2 0 316.449 1.390 10 0 DDAERP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261870351 407649164 /nfs/dbraw/zinc/64/91/64/407649164.db2.gz DDDSBGVFXFARPC-XDNAFOTISA-N 2 0 309.498 1.998 10 0 DDAERP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)CC(C)C ZINC000262001800 407708659 /nfs/dbraw/zinc/70/86/59/407708659.db2.gz NMTAGNLKGOAQFW-CVEARBPZSA-N 2 0 313.486 1.613 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000245474839 407996648 /nfs/dbraw/zinc/99/66/48/407996648.db2.gz RGRRDDYNDDTPIO-CVEARBPZSA-N 2 0 310.486 1.987 10 0 DDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000263288408 408090363 /nfs/dbraw/zinc/09/03/63/408090363.db2.gz VMZCBYLEYGEEFH-MWDXBVQZSA-N 2 0 324.513 1.377 10 0 DDAERP CCC[N@H+](CC)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1CC ZINC000175761081 408198520 /nfs/dbraw/zinc/19/85/20/408198520.db2.gz LQOMKJQNEDQYLK-JKSUJKDBSA-N 2 0 310.486 1.987 10 0 DDAERP C[C@@H](C(N)=O)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247127177 408412545 /nfs/dbraw/zinc/41/25/45/408412545.db2.gz KCSSXSBDFACZTI-WMLDXEAASA-N 2 0 319.449 1.238 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000248370120 408552973 /nfs/dbraw/zinc/55/29/73/408552973.db2.gz XCABQAYZRYAXIM-KRWDZBQOSA-N 2 0 322.497 1.146 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000177314060 408576961 /nfs/dbraw/zinc/57/69/61/408576961.db2.gz VHTHXQDBVJXSNL-MRXNPFEDSA-N 2 0 310.486 1.985 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000194138989 408766101 /nfs/dbraw/zinc/76/61/01/408766101.db2.gz KQBVIDVTJQSFBB-MRXNPFEDSA-N 2 0 310.486 1.890 10 0 DDAERP C[N@H+](CC[C@H]1CCCO1)C1CCN(CCn2cccn2)CC1 ZINC000189182303 163088360 /nfs/dbraw/zinc/08/83/60/163088360.db2.gz UGTAWFHBDACTMK-QGZVFWFLSA-N 2 0 306.454 1.848 10 0 DDAERP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261827198 163710081 /nfs/dbraw/zinc/71/00/81/163710081.db2.gz OMENIVGHJAGJPV-OWCLPIDISA-N 2 0 311.470 1.321 10 0 DDAERP CC1CC[NH+](Cc2cccc(CNC(=O)C3C[NH2+]C3)c2)CC1 ZINC000262283256 163798444 /nfs/dbraw/zinc/79/84/44/163798444.db2.gz WENJBYNUVYGQLR-UHFFFAOYSA-N 2 0 301.434 1.754 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638837238 423150553 /nfs/dbraw/zinc/15/05/53/423150553.db2.gz YIUOTHUZBGHLQK-DJIMGWMZSA-N 2 0 301.434 1.480 10 0 DDAERP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000262044770 277386436 /nfs/dbraw/zinc/38/64/36/277386436.db2.gz YYHINDFHIFSCGU-KURKYZTESA-N 2 0 309.498 1.854 10 0 DDAERP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)([NH+](C)C)C1 ZINC000247216516 282039185 /nfs/dbraw/zinc/03/91/85/282039185.db2.gz BIEIEJBYJYQVOW-SOLBZPMBSA-N 2 0 322.497 1.987 10 0 DDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261879944 698443144 /nfs/dbraw/zinc/44/31/44/698443144.db2.gz FGKSFPHSEMZPJN-SQNIBIBYSA-N 2 0 307.482 1.608 10 0 DDAERP CC[NH+](CC)C[C@@H](C)Nc1nc(NN)[nH+]cc1Br ZINC000087868725 185234003 /nfs/dbraw/zinc/23/40/03/185234003.db2.gz PVLQMYOUGOEJTN-MRVPVSSYSA-N 2 0 317.235 1.667 10 0 DDAERP C[NH+](C)C[C@@H]1CCCN1c1nc(NN)[nH+]cc1Br ZINC000087870063 185234216 /nfs/dbraw/zinc/23/42/16/185234216.db2.gz PQXIWESEQCLECH-QMMMGPOBSA-N 2 0 315.219 1.055 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000247914089 282198037 /nfs/dbraw/zinc/19/80/37/282198037.db2.gz ARRWLZPPRKBQTM-ZACQAIPSSA-N 2 0 316.449 1.777 10 0 DDAERP C[NH+](C)[C@H]1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000170833515 282261238 /nfs/dbraw/zinc/26/12/38/282261238.db2.gz IRLAVSUILXISPP-INIZCTEOSA-N 2 0 304.438 1.464 10 0 DDAERP C[N@@H+]1CC2(C[C@H]1C(=O)NCCc1ccc(O)cc1)CC[NH2+]CC2 ZINC000072425852 191160005 /nfs/dbraw/zinc/16/00/05/191160005.db2.gz ZBBWRXSAQPVJDB-INIZCTEOSA-N 2 0 317.433 1.125 10 0 DDAERP c1ccc(NC[C@@H]2CC[N@@H+](CCCN3CCOCC3)C2)nc1 ZINC000173778877 198250602 /nfs/dbraw/zinc/25/06/02/198250602.db2.gz SSHXSTZEMYPBJA-INIZCTEOSA-N 2 0 304.438 1.538 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cs1 ZINC000089026906 192706819 /nfs/dbraw/zinc/70/68/19/192706819.db2.gz RDPAUSSEFHDIPS-NSHDSACASA-N 2 0 317.480 1.182 10 0 DDAERP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1([NH+]2CCOCC2)CCCC1 ZINC000261833022 296096556 /nfs/dbraw/zinc/09/65/56/296096556.db2.gz UHHSKYJUFGZISC-BZUAXINKSA-N 2 0 323.481 1.511 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105273048 194091180 /nfs/dbraw/zinc/09/11/80/194091180.db2.gz JYBOHUKVDKKNLP-IAGOWNOFSA-N 2 0 322.497 1.987 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)C1 ZINC000110318243 194321704 /nfs/dbraw/zinc/32/17/04/194321704.db2.gz CLIWAPWWUDVMMP-LSDHHAIUSA-N 2 0 317.499 1.265 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000245474840 285235929 /nfs/dbraw/zinc/23/59/29/285235929.db2.gz RGRRDDYNDDTPIO-HZPDHXFCSA-N 2 0 310.486 1.987 10 0 DDAERP C[NH+](C)C[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000113457663 407506219 /nfs/dbraw/zinc/50/62/19/407506219.db2.gz LSKAUAXFNOFIMJ-SJORKVTESA-N 2 0 303.450 1.569 10 0 DDAERP CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)CN2CCOCC2)C1 ZINC000180621579 407903126 /nfs/dbraw/zinc/90/31/26/407903126.db2.gz DPDWPBQVLJJLKO-HOTGVXAUSA-N 2 0 306.454 1.803 10 0 DDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000245641916 408036173 /nfs/dbraw/zinc/03/61/73/408036173.db2.gz YUKRILYDCITQEV-CWRNSKLLSA-N 2 0 311.470 1.055 10 0 DDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000263145340 408037961 /nfs/dbraw/zinc/03/79/61/408037961.db2.gz CPPNHDKTHGPMHX-PBHICJAKSA-N 3 0 323.868 1.474 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000246332133 408222485 /nfs/dbraw/zinc/22/24/85/408222485.db2.gz BBNGRQUMHHURPM-CVEARBPZSA-N 2 0 308.470 1.741 10 0 DDAERP CC[NH+](CC)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190668185 408297922 /nfs/dbraw/zinc/29/79/22/408297922.db2.gz QUWMSSXGVJDDJG-KRWDZBQOSA-N 2 0 318.465 1.704 10 0 DDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247503716 408485112 /nfs/dbraw/zinc/48/51/12/408485112.db2.gz VGZOQQJXEBDGDD-NVXWUHKLSA-N 2 0 322.497 1.987 10 0 DDAERP CCC[C@H](C(=O)NCCN1CCc2sccc2C1)[NH+](C)C ZINC000161733726 408633748 /nfs/dbraw/zinc/63/37/48/408633748.db2.gz LILLDOPSSYPJDD-CQSZACIVSA-N 2 0 309.479 1.953 10 0 DDAERP C[NH+](C)CC1(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCCC1 ZINC000185168098 408773729 /nfs/dbraw/zinc/77/37/29/408773729.db2.gz WSNZXINYKGDNOD-INIZCTEOSA-N 2 0 322.497 1.988 10 0 DDAERP C[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000390776037 418755223 /nfs/dbraw/zinc/75/52/23/418755223.db2.gz NBNPPEAUWHCSOT-PVAVHDDUSA-N 2 0 303.450 1.998 10 0 DDAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3([NH3+])CCOCC3)C2)CC1 ZINC000261784831 278546252 /nfs/dbraw/zinc/54/62/52/278546252.db2.gz HRCVZNIJXPUQGP-INIZCTEOSA-N 2 0 323.481 1.465 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000176211440 279298321 /nfs/dbraw/zinc/29/83/21/279298321.db2.gz RGRRDDYNDDTPIO-JKSUJKDBSA-N 2 0 310.486 1.987 10 0 DDAERP C[NH+](C)Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261971427 698448213 /nfs/dbraw/zinc/44/82/13/698448213.db2.gz BKXAMDMLGIBGKF-YIONKMFJSA-N 2 0 323.462 1.310 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1c(C[NH3+])cnn1C ZINC000719184334 699299082 /nfs/dbraw/zinc/29/90/82/699299082.db2.gz KVQLDJGVTAZKBC-CYBMUJFWSA-N 2 0 315.421 1.129 10 0 DDAERP C[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCCC3)cc2)CC1 ZINC000074693508 185010005 /nfs/dbraw/zinc/01/00/05/185010005.db2.gz XRRUGOXMJSSSQT-UHFFFAOYSA-N 2 0 302.422 1.473 10 0 DDAERP CC[C@H](CC[NH3+])CCC(=O)N(CCC[NH+](C)C)CCOC ZINC000079210871 185161520 /nfs/dbraw/zinc/16/15/20/185161520.db2.gz ZWDMKBJAHIGVKZ-HNNXBMFYSA-N 2 0 301.475 1.568 10 0 DDAERP O[C@@]1(C[NH2+]CCc2csc(-c3cccnc3)n2)CC[NH2+]C1 ZINC000077388276 191706601 /nfs/dbraw/zinc/70/66/01/191706601.db2.gz SBFQQZVFNYHVOG-OAHLLOKOSA-N 2 0 304.419 1.062 10 0 DDAERP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC[NH2+]1 ZINC000262365209 203274143 /nfs/dbraw/zinc/27/41/43/203274143.db2.gz KZSWSTQERCPLTM-QMCVQRASSA-N 2 0 301.434 1.936 10 0 DDAERP CCC[N@H+](Cc1cc(=O)n2ccsc2n1)CC(C)(C)C[NH3+] ZINC000093892019 193323627 /nfs/dbraw/zinc/32/36/27/193323627.db2.gz GNIDNCFKNJYRSH-UHFFFAOYSA-N 2 0 308.451 1.953 10 0 DDAERP CC1CC[NH+](CCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105127358 194076716 /nfs/dbraw/zinc/07/67/16/194076716.db2.gz BWLSBASASRFOBW-INIZCTEOSA-N 2 0 308.470 1.598 10 0 DDAERP [NH3+]Cc1ccccc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062968016 184263879 /nfs/dbraw/zinc/26/38/79/184263879.db2.gz QIEVRIPNFMVWNG-AWEZNQCLSA-N 2 0 309.435 1.004 10 0 DDAERP C[NH2+]Cc1c(N2CC[C@@H]([NH+]3CCCC3)C2)nc2sccn12 ZINC000062981887 184264088 /nfs/dbraw/zinc/26/40/88/184264088.db2.gz NYCCHVRONRNASW-GFCCVEGCSA-N 2 0 305.451 1.790 10 0 DDAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261698708 407583273 /nfs/dbraw/zinc/58/32/73/407583273.db2.gz BJNLXQFFJILGSJ-GOEBONIOSA-N 2 0 311.470 1.511 10 0 DDAERP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170830476 407521411 /nfs/dbraw/zinc/52/14/11/407521411.db2.gz HNMSULYBJCYDDG-INIZCTEOSA-N 2 0 304.438 1.594 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000170863019 407534332 /nfs/dbraw/zinc/53/43/32/407534332.db2.gz UBQOPKGUNPHLKI-HOTGVXAUSA-N 2 0 322.428 1.774 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)C1CCCCC1 ZINC000261896435 407659478 /nfs/dbraw/zinc/65/94/78/407659478.db2.gz WANJQEDKMNRDOW-CVEARBPZSA-N 2 0 311.470 1.367 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261789837 407616535 /nfs/dbraw/zinc/61/65/35/407616535.db2.gz UWVKPZRXJSRODG-HYVNUMGLSA-N 2 0 301.434 1.623 10 0 DDAERP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])C2CCOCC2)CCCCCC1 ZINC000261947514 407684392 /nfs/dbraw/zinc/68/43/92/407684392.db2.gz JWXBFHFVVMFWLU-OAHLLOKOSA-N 2 0 311.470 1.511 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000262180092 407760845 /nfs/dbraw/zinc/76/08/45/407760845.db2.gz BMRCWCCEWFPCJK-QGZVFWFLSA-N 2 0 319.449 1.508 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000262169948 407757697 /nfs/dbraw/zinc/75/76/97/407757697.db2.gz APDXCCBPZKNVCC-QGZVFWFLSA-N 2 0 319.449 1.653 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000262287242 407784825 /nfs/dbraw/zinc/78/48/25/407784825.db2.gz MMSQYMZHTHJVHZ-HZPDHXFCSA-N 2 0 305.422 1.222 10 0 DDAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1C ZINC000263150594 408040760 /nfs/dbraw/zinc/04/07/60/408040760.db2.gz DAMOCCZYWQJPSK-BJJXKVORSA-N 2 0 305.422 1.190 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cn2ccccc2n1 ZINC000174981961 408019977 /nfs/dbraw/zinc/01/99/77/408019977.db2.gz BIOUPKRZXZYHGE-JKSUJKDBSA-N 2 0 312.417 1.962 10 0 DDAERP C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)([NH+](C)C)C1 ZINC000246034927 408126110 /nfs/dbraw/zinc/12/61/10/408126110.db2.gz UXFHRPQDLPXSDI-BFYDXBDKSA-N 2 0 310.486 1.842 10 0 DDAERP C[C@@H]1CCCN(c2cc(N3CCO[C@@H](C[NH+](C)C)C3)ncn2)C1 ZINC000246310035 408216558 /nfs/dbraw/zinc/21/65/58/408216558.db2.gz YGNODQGVYVNSIL-CABCVRRESA-N 2 0 319.453 1.480 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000172240695 162265623 /nfs/dbraw/zinc/26/56/23/162265623.db2.gz FJZUZQXDZOOENQ-JKSUJKDBSA-N 2 0 308.470 1.741 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CC2CCCC2)CC1 ZINC000248861904 408648561 /nfs/dbraw/zinc/64/85/61/408648561.db2.gz BEGKDAXUHLFSCB-QAPCUYQASA-N 2 0 312.498 1.952 10 0 DDAERP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000184686504 408667650 /nfs/dbraw/zinc/66/76/50/408667650.db2.gz BAZHNRRTNAAOLR-XIRDDKMYSA-N 2 0 319.449 1.563 10 0 DDAERP CC(C)[NH+]1CCN(CCCN2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000249212128 408704757 /nfs/dbraw/zinc/70/47/57/408704757.db2.gz DBWRQSAOTRMCFQ-SFHVURJKSA-N 2 0 308.514 1.573 10 0 DDAERP Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)NCC(F)(F)F ZINC000178292679 408799945 /nfs/dbraw/zinc/79/99/45/408799945.db2.gz WFRHHHJOQYXDPT-CMPLNLGQSA-N 2 0 318.343 1.723 10 0 DDAERP C[C@@H]1OCCC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000191670792 163196916 /nfs/dbraw/zinc/19/69/16/163196916.db2.gz PZKQWZDBJNCWFL-JKSUJKDBSA-N 2 0 313.486 1.534 10 0 DDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378905869 418726095 /nfs/dbraw/zinc/72/60/95/418726095.db2.gz LGKICUWFODWDIK-BZSNNMDCSA-N 2 0 315.461 2.000 10 0 DDAERP CN(C[C@H]1CC[N@H+](C)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648813 422533730 /nfs/dbraw/zinc/53/37/30/422533730.db2.gz ZLGOOXONHCEBOY-RBUKOAKNSA-N 2 0 317.477 1.507 10 0 DDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000263086853 280367988 /nfs/dbraw/zinc/36/79/88/280367988.db2.gz YBHRPMLNQVXXTJ-AIANPOQGSA-N 2 0 311.470 1.198 10 0 DDAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000158157167 297096153 /nfs/dbraw/zinc/09/61/53/297096153.db2.gz DIECJDIZAONFQZ-QGFMHUBQSA-N 2 0 320.525 1.714 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000247470900 297098356 /nfs/dbraw/zinc/09/83/56/297098356.db2.gz RQMFXRXIPSKQQO-ZBFHGGJFSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCC[NH2+]C1 ZINC000573593247 308246054 /nfs/dbraw/zinc/24/60/54/308246054.db2.gz LZLIULACBZIRQO-WDSOQIARSA-N 2 0 317.477 1.865 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261605935 698428885 /nfs/dbraw/zinc/42/88/85/698428885.db2.gz BAZVAZACMFKMSS-HYVNUMGLSA-N 2 0 301.434 1.575 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000262205168 698459296 /nfs/dbraw/zinc/45/92/96/698459296.db2.gz DLCPQEIHHIBSJA-AWEZNQCLSA-N 2 0 309.435 1.148 10 0 DDAERP C[C@@]12CN(C(=O)[C@H]3CC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702113997 699228372 /nfs/dbraw/zinc/22/83/72/699228372.db2.gz QOBDGPYNMQLNEU-JENIJYKNSA-N 2 0 313.445 1.576 10 0 DDAERP CCC[NH2+]Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)o1 ZINC000088542126 185256246 /nfs/dbraw/zinc/25/62/46/185256246.db2.gz FFZATYVHSCOINT-UHFFFAOYSA-N 2 0 303.428 1.009 10 0 DDAERP CC(C)[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000088542714 185256393 /nfs/dbraw/zinc/25/63/93/185256393.db2.gz IVTLAYXLGIPDDX-NSHDSACASA-N 2 0 303.428 1.006 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000092634024 185330358 /nfs/dbraw/zinc/33/03/58/185330358.db2.gz FSPFKFZVMZBZEP-LLVKDONJSA-N 2 0 317.480 1.312 10 0 DDAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](CC)C2)C1 ZINC000174235856 535265922 /nfs/dbraw/zinc/26/59/22/535265922.db2.gz RKBNNMDINPDIIV-HZPDHXFCSA-N 2 0 310.486 1.844 10 0 DDAERP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000179244355 199003849 /nfs/dbraw/zinc/00/38/49/199003849.db2.gz ZROLFYYAKDRQRJ-MOPGFXCFSA-N 2 0 317.477 1.822 10 0 DDAERP C1C(N2CC[NH2+]CC2)C[NH+]1[C@@H]1CCOC2(CCSCC2)C1 ZINC000094384585 193367519 /nfs/dbraw/zinc/36/75/19/193367519.db2.gz OEDLAIAEMWOQBQ-CQSZACIVSA-N 2 0 311.495 1.021 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000041681862 183217248 /nfs/dbraw/zinc/21/72/48/183217248.db2.gz MJPBAVAMEMVPKW-UHFFFAOYSA-N 2 0 319.496 1.606 10 0 DDAERP CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000042768504 183307268 /nfs/dbraw/zinc/30/72/68/183307268.db2.gz NRKAUSLXGGHWNR-UHFFFAOYSA-N 2 0 313.467 1.354 10 0 DDAERP CC(C)CN(CC[NH+](C)C)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000042781308 183308336 /nfs/dbraw/zinc/30/83/36/183308336.db2.gz AVGMKBNPPGCVLE-OAHLLOKOSA-N 2 0 319.515 1.368 10 0 DDAERP Cc1cc2c(ncnc2N2CC[NH+](CCCC[NH3+])CC2)s1 ZINC000110779032 194357932 /nfs/dbraw/zinc/35/79/32/194357932.db2.gz DYZGGWIUCXGCKB-UHFFFAOYSA-N 2 0 305.451 1.861 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1CC ZINC000246258775 286086023 /nfs/dbraw/zinc/08/60/23/286086023.db2.gz KTXQGFSGZGEKFD-BZUAXINKSA-N 2 0 311.470 1.463 10 0 DDAERP CCC[C@@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[NH+](C)C ZINC000127458902 407437281 /nfs/dbraw/zinc/43/72/81/407437281.db2.gz CCJKPTUVYWXXKF-KRWDZBQOSA-N 2 0 324.513 1.392 10 0 DDAERP C[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)C[NH+]1CCCCC1 ZINC000113599592 407518419 /nfs/dbraw/zinc/51/84/19/407518419.db2.gz VPCXBJCJMKFGOH-IXDOHACOSA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261603833 407547289 /nfs/dbraw/zinc/54/72/89/407547289.db2.gz AIAFHTIZRWUJBB-OAHLLOKOSA-N 2 0 311.470 1.321 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261789832 407617137 /nfs/dbraw/zinc/61/71/37/407617137.db2.gz UWVKPZRXJSRODG-DJIMGWMZSA-N 2 0 301.434 1.623 10 0 DDAERP CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000261866731 407648568 /nfs/dbraw/zinc/64/85/68/407648568.db2.gz WWHWYQOZSZBKAJ-OAHLLOKOSA-N 2 0 321.469 1.699 10 0 DDAERP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1F ZINC000115844726 407711555 /nfs/dbraw/zinc/71/15/55/407711555.db2.gz LTARJFNWCRFBGZ-OAHLLOKOSA-N 2 0 322.428 1.733 10 0 DDAERP COC[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000262202293 407763676 /nfs/dbraw/zinc/76/36/76/407763676.db2.gz DDBHHFKIKCNAOG-KRWDZBQOSA-N 2 0 319.449 1.331 10 0 DDAERP C[NH2+]CCc1ccccc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000262359859 407812203 /nfs/dbraw/zinc/81/22/03/407812203.db2.gz WGIOIKLJSVUCIZ-ZBFHGGJFSA-N 2 0 301.434 1.757 10 0 DDAERP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000174354702 407938492 /nfs/dbraw/zinc/93/84/92/407938492.db2.gz XNYKLWSOTRKZMS-MRXNPFEDSA-N 2 0 310.486 1.985 10 0 DDAERP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000246161009 408160188 /nfs/dbraw/zinc/16/01/88/408160188.db2.gz AHPRSIVDDSXEHT-FRFSOERESA-N 2 0 301.434 1.677 10 0 DDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246402480 408243984 /nfs/dbraw/zinc/24/39/84/408243984.db2.gz JYBOHUKVDKKNLP-IRXDYDNUSA-N 2 0 322.497 1.987 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000175940601 408246095 /nfs/dbraw/zinc/24/60/95/408246095.db2.gz NTAPCTXTNUDWPA-MRXNPFEDSA-N 2 0 322.428 1.603 10 0 DDAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COCc2ccccc2)CCN1C ZINC000175763134 408198233 /nfs/dbraw/zinc/19/82/33/408198233.db2.gz GHYNOPJBSUCGNN-NJAFHUGGSA-N 2 0 306.450 1.979 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000246365427 408234744 /nfs/dbraw/zinc/23/47/44/408234744.db2.gz IRUMTGAOGQMCJF-BBWFWOEESA-N 2 0 322.497 1.842 10 0 DDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247657867 408500973 /nfs/dbraw/zinc/50/09/73/408500973.db2.gz YWWDHGFSRXIIEV-CVEARBPZSA-N 2 0 322.497 1.987 10 0 DDAERP Cc1cc(NC(=O)CN2CCC[C@@H]2Cn2ccnc2C)no1 ZINC000178327592 408804556 /nfs/dbraw/zinc/80/45/56/408804556.db2.gz BBVJAGQZCPFCCR-CYBMUJFWSA-N 2 0 303.366 1.591 10 0 DDAERP C[C@@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000631844419 421882995 /nfs/dbraw/zinc/88/29/95/421882995.db2.gz XFDJWHZNVCRWEY-OLZOCXBDSA-N 2 0 301.390 1.199 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658245575 424619316 /nfs/dbraw/zinc/61/93/16/424619316.db2.gz SJDZTTOYUUNZHI-KBAYOESNSA-N 2 0 315.461 1.965 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244145 484027569 /nfs/dbraw/zinc/02/75/69/484027569.db2.gz KEHVFBWGSLFTCD-DGCLKSJQSA-N 2 0 309.376 1.621 10 0 DDAERP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]([NH3+])COC ZINC000262326855 520645858 /nfs/dbraw/zinc/64/58/58/520645858.db2.gz GFFACSGGRLSJLM-MRXNPFEDSA-N 2 0 307.438 1.331 10 0 DDAERP COC[C@@]1(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000261551140 698427699 /nfs/dbraw/zinc/42/76/99/698427699.db2.gz QESUCFUKCULGQS-CRAIPNDOSA-N 2 0 319.449 1.249 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000088542771 185256120 /nfs/dbraw/zinc/25/61/20/185256120.db2.gz GJRLSXQAVGKWHF-LBPRGKRZSA-N 2 0 315.439 1.008 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000092629802 185330463 /nfs/dbraw/zinc/33/04/63/185330463.db2.gz KUOGODJEKVZAGG-YPMHNXCESA-N 2 0 307.360 1.471 10 0 DDAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261603850 282287823 /nfs/dbraw/zinc/28/78/23/282287823.db2.gz AIFLIRDYEJJUAD-PMPSAXMXSA-N 2 0 305.422 1.432 10 0 DDAERP Cc1ccc(CN(CC[NH+](C)C)C[C@@]2(O)CCC[NH2+]C2)s1 ZINC000072475619 191177431 /nfs/dbraw/zinc/17/74/31/191177431.db2.gz HKMRYAKPMDPHHM-MRXNPFEDSA-N 2 0 311.495 1.535 10 0 DDAERP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093495445 193259503 /nfs/dbraw/zinc/25/95/03/193259503.db2.gz LIIJGRRUNXZIRR-APIJFGDWSA-N 2 0 302.484 1.710 10 0 DDAERP CN(C[C@H]1CC[N@H+](C)C1)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334291 193360013 /nfs/dbraw/zinc/36/00/13/193360013.db2.gz BDABFSCKWLLPIO-JTQLQIEISA-N 2 0 302.344 1.947 10 0 DDAERP CC(C)[NH+](CCNS(=O)(=O)c1ccc(C[NH3+])cc1)C(C)C ZINC000020016498 182178446 /nfs/dbraw/zinc/17/84/46/182178446.db2.gz LUJQGJXAPLDGIQ-UHFFFAOYSA-N 2 0 313.467 1.542 10 0 DDAERP C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCN(CCO)CC1 ZINC000043252743 183347202 /nfs/dbraw/zinc/34/72/02/183347202.db2.gz IZERDAMDKMZTAD-GWCFXTLKSA-N 2 0 303.859 1.400 10 0 DDAERP CC[C@H]([NH2+]C)c1cccc(S(=O)(=O)N(C)CC[NH+](C)C)c1 ZINC000111141179 194394270 /nfs/dbraw/zinc/39/42/70/194394270.db2.gz XQHTUXYUWVQGEV-HNNXBMFYSA-N 2 0 313.467 1.539 10 0 DDAERP C[C@@H]([NH3+])c1cccc(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000062070159 184204423 /nfs/dbraw/zinc/20/44/23/184204423.db2.gz MAHWWLSUILTWAT-CYBMUJFWSA-N 2 0 311.451 1.471 10 0 DDAERP CC[NH+](CC)CCOCCNC(=O)[C@H](c1ccccc1)N(C)C ZINC000062272099 184227236 /nfs/dbraw/zinc/22/72/36/184227236.db2.gz GCYPRFWTKYYETC-KRWDZBQOSA-N 2 0 321.465 1.764 10 0 DDAERP [NH3+]Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000062968019 184263813 /nfs/dbraw/zinc/26/38/13/184263813.db2.gz AZCFIQRBCINKEU-CQSZACIVSA-N 2 0 309.435 1.004 10 0 DDAERP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000062968007 184263862 /nfs/dbraw/zinc/26/38/62/184263862.db2.gz FJDKCVRWKXJLPS-AWEZNQCLSA-N 2 0 311.451 1.250 10 0 DDAERP CC[NH+](CC)CCN(C)Cc1nnc(CC2CC[NH2+]CC2)n1C ZINC000055211679 407197983 /nfs/dbraw/zinc/19/79/83/407197983.db2.gz LDHNPUNRYIYGQT-UHFFFAOYSA-N 2 0 322.501 1.131 10 0 DDAERP O[C@@H](CN1CC[NH+](CC2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000178980580 407680054 /nfs/dbraw/zinc/68/00/54/407680054.db2.gz ISGCNHFFFVIMRZ-SFHVURJKSA-N 2 0 303.450 1.337 10 0 DDAERP CCCn1cc(CN2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262023683 407715096 /nfs/dbraw/zinc/71/50/96/407715096.db2.gz NJQCSDLEKHITIR-SFHVURJKSA-N 2 0 319.497 1.800 10 0 DDAERP CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCC2 ZINC000262218101 407766982 /nfs/dbraw/zinc/76/69/82/407766982.db2.gz UHXSDXUAJBRLOV-JKSUJKDBSA-N 2 0 323.481 1.478 10 0 DDAERP C[NH2+]CCc1ccccc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000262359857 407811943 /nfs/dbraw/zinc/81/19/43/407811943.db2.gz WGIOIKLJSVUCIZ-GOEBONIOSA-N 2 0 301.434 1.757 10 0 DDAERP [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)C[C@H]12 ZINC000262566273 407867787 /nfs/dbraw/zinc/86/77/87/407867787.db2.gz WRTPLEZZHWVRLB-DMRKSPOLSA-N 2 0 305.466 1.837 10 0 DDAERP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245481971 407996713 /nfs/dbraw/zinc/99/67/13/407996713.db2.gz YYSQJMQUAOKLTN-LSDHHAIUSA-N 2 0 313.486 1.266 10 0 DDAERP CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151100284 408256289 /nfs/dbraw/zinc/25/62/89/408256289.db2.gz MZLLQZPXFAASTC-HUUCEWRRSA-N 2 0 307.438 1.991 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(CC[NH+](C)C)C(C)C ZINC000157790171 408316536 /nfs/dbraw/zinc/31/65/36/408316536.db2.gz MNAIBCVIKDKVGW-OAHLLOKOSA-N 2 0 300.491 1.944 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2CC)C1 ZINC000246476814 408267164 /nfs/dbraw/zinc/26/71/64/408267164.db2.gz VOYZMEJATMSQQK-ZACQAIPSSA-N 2 0 322.497 1.987 10 0 DDAERP CCC[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[NH+](C)C ZINC000162048818 408666926 /nfs/dbraw/zinc/66/69/26/408666926.db2.gz IMORNOWGHNUSBY-DLBZAZTESA-N 2 0 324.513 1.345 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000194187209 408771891 /nfs/dbraw/zinc/77/18/91/408771891.db2.gz ILOIABIJKFGRIL-INIZCTEOSA-N 2 0 312.502 1.946 10 0 DDAERP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000195336361 163318777 /nfs/dbraw/zinc/31/87/77/163318777.db2.gz WHQNPTQXXZIUMO-MSOLQXFVSA-N 2 0 313.445 1.958 10 0 DDAERP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000323762718 409923586 /nfs/dbraw/zinc/92/35/86/409923586.db2.gz WHDLPVZLJBWWAW-IAGOWNOFSA-N 2 0 317.433 1.098 10 0 DDAERP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000380929768 418728126 /nfs/dbraw/zinc/72/81/26/418728126.db2.gz FNMAZMZCSOODDY-IRXDYDNUSA-N 2 0 301.434 1.624 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638834987 423149772 /nfs/dbraw/zinc/14/97/72/423149772.db2.gz JPVJVGVJMRFVEM-BSWAZPDLSA-N 2 0 319.424 1.571 10 0 DDAERP C[C@H](CCNC(=O)[C@@H]1C[NH2+]CCOC1)[N@H+](C)Cc1ccccc1 ZINC000649347140 423780412 /nfs/dbraw/zinc/78/04/12/423780412.db2.gz GUYSLFPKCFVPES-NVXWUHKLSA-N 2 0 319.449 1.249 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000261544496 278240985 /nfs/dbraw/zinc/24/09/85/278240985.db2.gz IWKABGIOVDXCNP-GOEBONIOSA-N 2 0 321.490 1.718 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000130780007 281394174 /nfs/dbraw/zinc/39/41/74/281394174.db2.gz AMLDLGOPODYCMN-CVEARBPZSA-N 2 0 310.486 1.700 10 0 DDAERP [NH3+][C@H]1CCCCN(C(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000082160940 295333378 /nfs/dbraw/zinc/33/33/78/295333378.db2.gz HKGDYGSUNAVJLN-HNNXBMFYSA-N 2 0 309.454 1.217 10 0 DDAERP Cc1cc(N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc[nH+]1 ZINC000261822208 698439360 /nfs/dbraw/zinc/43/93/60/698439360.db2.gz AUKUQMSPDQSCON-GOEBONIOSA-N 2 0 302.422 1.475 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000079267801 185162754 /nfs/dbraw/zinc/16/27/54/185162754.db2.gz KMLMSMWXQINSHO-MRXNPFEDSA-N 2 0 312.502 1.994 10 0 DDAERP COc1ccc([C@@H](C[NH3+])NCC[NH+](C)C)cc1OC(F)F ZINC000087911978 185237426 /nfs/dbraw/zinc/23/74/26/185237426.db2.gz XPLFQXNKJXCRNX-LLVKDONJSA-N 2 0 303.353 1.448 10 0 DDAERP C[NH+](C)CCN1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092663015 185332580 /nfs/dbraw/zinc/33/25/80/185332580.db2.gz XHXPUPMRERLAIN-INIZCTEOSA-N 2 0 305.491 1.883 10 0 DDAERP C[NH+]1CCC(Oc2cccc3c2CN(CCCO)[C@@H]3C[NH3+])CC1 ZINC000071684978 191008355 /nfs/dbraw/zinc/00/83/55/191008355.db2.gz YQUHPBFILBNTCC-QGZVFWFLSA-N 2 0 319.449 1.357 10 0 DDAERP CC[NH2+][C@@]1(CO)CCC[C@@H]1CC[NH+](CCOC)CCOC ZINC000093617729 193275172 /nfs/dbraw/zinc/27/51/72/193275172.db2.gz ZBCUMZPEGZJSGT-HZPDHXFCSA-N 2 0 302.459 1.112 10 0 DDAERP [NH3+]CCCN1CC[NH+]([C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094364369 193366284 /nfs/dbraw/zinc/36/62/84/193366284.db2.gz ICCWKHJCPDRVIC-HNNXBMFYSA-N 2 0 313.511 1.398 10 0 DDAERP COCCC[N@H+](CCOC)C[C@@H]1[C@@H]([NH3+])C(C)(C)OC1(C)C ZINC000094428511 193368243 /nfs/dbraw/zinc/36/82/43/193368243.db2.gz KKYMRVPNCXGKFU-ZIAGYGMSSA-N 2 0 302.459 1.502 10 0 DDAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc(OC(F)(F)F)cc2)CC1 ZINC000021013525 182260530 /nfs/dbraw/zinc/26/05/30/182260530.db2.gz GBTQTMNEOJSMDD-CYBMUJFWSA-N 2 0 303.328 1.832 10 0 DDAERP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105215448 194085248 /nfs/dbraw/zinc/08/52/48/194085248.db2.gz KAAJNIUHEBVMPQ-QGZVFWFLSA-N 2 0 322.497 1.988 10 0 DDAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(=O)[O-] ZINC000111145391 194395469 /nfs/dbraw/zinc/39/54/69/194395469.db2.gz LWJROJBLQOGLOP-MRXNPFEDSA-N 2 0 301.475 1.883 10 0 DDAERP Cc1cccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)C[C@@H]3C2)n1 ZINC000248003298 257111904 /nfs/dbraw/zinc/11/19/04/257111904.db2.gz OEEVFVJFMQCYBN-DLBZAZTESA-N 2 0 302.466 1.705 10 0 DDAERP CC(C)c1nc(CN(C)[C@@H]2CCN(C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000261722120 407593731 /nfs/dbraw/zinc/59/37/31/407593731.db2.gz GAFUVXKFAFCRCH-RHSMWYFYSA-N 2 0 321.469 1.699 10 0 DDAERP O=C(CC[N@@H+]1CCCC[C@@H]1c1nccs1)N1CC[NH2+]CC1 ZINC000262038269 407720443 /nfs/dbraw/zinc/72/04/43/407720443.db2.gz HLSZAOPWSIKWGA-CYBMUJFWSA-N 2 0 308.451 1.492 10 0 DDAERP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]([NH3+])COC ZINC000262547960 407862241 /nfs/dbraw/zinc/86/22/41/407862241.db2.gz OGBPRVQURWIHQZ-CYBMUJFWSA-N 2 0 309.410 1.319 10 0 DDAERP C[C@@H]1CN(CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1CCO ZINC000187686055 407879708 /nfs/dbraw/zinc/87/97/08/407879708.db2.gz IUEBIYRHGXPBOL-OAHLLOKOSA-N 2 0 309.429 1.256 10 0 DDAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC000263216174 408061203 /nfs/dbraw/zinc/06/12/03/408061203.db2.gz KXLKLULUZMARRZ-SQWLQELKSA-N 2 0 305.422 1.190 10 0 DDAERP CSCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000171631012 162231678 /nfs/dbraw/zinc/23/16/78/162231678.db2.gz LQUSLALWRVZYKX-OAHLLOKOSA-N 2 0 301.500 1.076 10 0 DDAERP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000171867214 162244490 /nfs/dbraw/zinc/24/44/90/162244490.db2.gz FWVXOOLNNODDAY-CRAIPNDOSA-N 2 0 313.445 1.740 10 0 DDAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171901103 162246101 /nfs/dbraw/zinc/24/61/01/162246101.db2.gz OGSRFKMXGVCTGA-DLBZAZTESA-N 2 0 322.497 1.988 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247092906 408406771 /nfs/dbraw/zinc/40/67/71/408406771.db2.gz IEGYMPRGROUZGC-OAGGEKHMSA-N 2 0 310.486 1.841 10 0 DDAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000247181525 408424815 /nfs/dbraw/zinc/42/48/15/408424815.db2.gz KZIBRKBEVWTDQX-QZWWFDLISA-N 2 0 322.497 1.985 10 0 DDAERP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C ZINC000184235481 408575998 /nfs/dbraw/zinc/57/59/98/408575998.db2.gz SEOQQRNGDLIHAX-HUUCEWRRSA-N 2 0 311.470 1.199 10 0 DDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C ZINC000248650647 408609276 /nfs/dbraw/zinc/60/92/76/408609276.db2.gz SEOQQRNGDLIHAX-CABCVRRESA-N 2 0 311.470 1.199 10 0 DDAERP COC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262303716 277261188 /nfs/dbraw/zinc/26/11/88/277261188.db2.gz OEVJXNUFIJIGNO-IRXDYDNUSA-N 2 0 319.449 1.550 10 0 DDAERP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000263086860 280367767 /nfs/dbraw/zinc/36/77/67/280367767.db2.gz YBHRPMLNQVXXTJ-PNBKFKSVSA-N 2 0 311.470 1.198 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176580224 288302666 /nfs/dbraw/zinc/30/26/66/288302666.db2.gz KXSRRURSXOGFEG-LVQVYYBASA-N 2 0 308.470 1.737 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000400361842 302369418 /nfs/dbraw/zinc/36/94/18/302369418.db2.gz NXHQBPZJHOVQAN-MJBXVCDLSA-N 2 0 313.442 1.210 10 0 DDAERP [NH3+]C1CCC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000390613261 307293821 /nfs/dbraw/zinc/29/38/21/307293821.db2.gz XJZADOZRPFTWJI-UHFFFAOYSA-N 3 0 316.493 1.664 10 0 DDAERP C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000261676213 698432588 /nfs/dbraw/zinc/43/25/88/698432588.db2.gz KZMCJZRASFJWIS-DOMZBBRYSA-N 2 0 311.451 1.167 10 0 DDAERP C[C@@]12CN(C(=O)[C@@H]3CC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702121401 699228687 /nfs/dbraw/zinc/22/86/87/699228687.db2.gz QOBDGPYNMQLNEU-ZIFCJYIRSA-N 2 0 313.445 1.576 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000249763246 282194588 /nfs/dbraw/zinc/19/45/88/282194588.db2.gz MRVQRUSFOIMHSP-OAGGEKHMSA-N 2 0 310.486 1.890 10 0 DDAERP CC[NH2+]Cc1cn(CC[NH+]2CCC(C(F)(F)F)CC2)nn1 ZINC000088438086 185250853 /nfs/dbraw/zinc/25/08/53/185250853.db2.gz IMJFQXVPYHLVFR-UHFFFAOYSA-N 2 0 305.348 1.662 10 0 DDAERP Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1C[NH3+] ZINC000092679045 185333343 /nfs/dbraw/zinc/33/33/43/185333343.db2.gz VHDDXYCXJQFYFU-AWEZNQCLSA-N 2 0 311.451 1.168 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000092626709 185329897 /nfs/dbraw/zinc/32/98/97/185329897.db2.gz MNAHUGQIBWESKU-AWEZNQCLSA-N 2 0 311.451 1.250 10 0 DDAERP COc1cc2c(c(OC)c1OC)[C@@H](C[NH3+])N(CC[NH+](C)C)C2 ZINC000071684613 191008699 /nfs/dbraw/zinc/00/86/99/191008699.db2.gz VMYBVNFCOAWMHT-GFCCVEGCSA-N 2 0 309.410 1.089 10 0 DDAERP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)[C@@H](C)C[NH2+]C(C)C)C1 ZINC000089034547 192708132 /nfs/dbraw/zinc/70/81/32/192708132.db2.gz WWZJIIHYCKHMDX-KBPBESRZSA-N 2 0 305.488 1.119 10 0 DDAERP CC(C)[NH2+]CCCCS(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091450492 193057786 /nfs/dbraw/zinc/05/77/86/193057786.db2.gz KWZCQCHPEKMORT-CQSZACIVSA-N 2 0 305.488 1.120 10 0 DDAERP CSC1(C[NH3+])CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000091474584 193061099 /nfs/dbraw/zinc/06/10/99/193061099.db2.gz MCCZHDHIFYMXHA-AWEZNQCLSA-N 2 0 301.500 1.252 10 0 DDAERP CC(C)(C[NH3+])N1CC[NH+]([C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094364707 193365792 /nfs/dbraw/zinc/36/57/92/193365792.db2.gz JSQXRYCXDIYXAR-HOCLYGCPSA-N 2 0 313.511 1.396 10 0 DDAERP C[N@H+](Cc1ccc(C[NH3+])cc1)[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094634653 193386341 /nfs/dbraw/zinc/38/63/41/193386341.db2.gz RPVYAJPNJGXPKZ-HOTGVXAUSA-N 2 0 310.463 1.933 10 0 DDAERP C[NH2+]Cc1c(N2CC[N@@H+]3CCCC[C@@H]3C2)nc2sccn12 ZINC000094439979 193369761 /nfs/dbraw/zinc/36/97/61/193369761.db2.gz ANWMCBHNQQCEIX-GFCCVEGCSA-N 2 0 305.451 1.790 10 0 DDAERP CCN[C@@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(=O)OC ZINC000111145534 194395674 /nfs/dbraw/zinc/39/56/74/194395674.db2.gz XPGVYWTXNDRCOR-INIZCTEOSA-N 2 0 301.475 1.581 10 0 DDAERP CCc1nc(N(C)CCC[NH+](C)C)sc1C[NH2+]CCOC ZINC000111152060 194396169 /nfs/dbraw/zinc/39/61/69/194396169.db2.gz OVLFNVPEPYJLPM-UHFFFAOYSA-N 2 0 314.499 1.829 10 0 DDAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061642338 184180202 /nfs/dbraw/zinc/18/02/02/184180202.db2.gz QWDPRZGGLAXIEZ-HOCLYGCPSA-N 2 0 310.511 1.624 10 0 DDAERP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000061644250 184180437 /nfs/dbraw/zinc/18/04/37/184180437.db2.gz RLLCBAYKTPCJTB-OAHLLOKOSA-N 2 0 311.451 1.001 10 0 DDAERP C[NH+](C)CC(=O)N1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC000063526884 184284821 /nfs/dbraw/zinc/28/48/21/184284821.db2.gz IBCQGOIQZLULDI-UHFFFAOYSA-N 2 0 301.434 1.673 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638301546 422813396 /nfs/dbraw/zinc/81/33/96/422813396.db2.gz KWGTXAGBPDENKI-ZDUSSCGKSA-N 2 0 313.405 1.186 10 0 DDAERP CCC[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)[NH+](C)C ZINC000125903185 407400690 /nfs/dbraw/zinc/40/06/90/407400690.db2.gz KEQJCIXCTNUYFT-MRXNPFEDSA-N 2 0 321.465 1.974 10 0 DDAERP CN(C[C@@H]1CCC[NH2+]C1)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000261929399 407674833 /nfs/dbraw/zinc/67/48/33/407674833.db2.gz LHSLSRNNWNRXFH-SOLBZPMBSA-N 2 0 319.497 1.734 10 0 DDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171900918 407790818 /nfs/dbraw/zinc/79/08/18/407790818.db2.gz QQQPQLLHQWAGPY-BRWVUGGUSA-N 2 0 322.497 1.844 10 0 DDAERP CN(CC[N@H+](C)C[C@H](O)COC(C)(C)C)C1CC[NH+](C)CC1 ZINC000180961573 407940390 /nfs/dbraw/zinc/94/03/90/407940390.db2.gz MOFZBCGLKPDYLE-INIZCTEOSA-N 2 0 315.502 1.120 10 0 DDAERP C[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(Br)c1 ZINC000263296625 408096417 /nfs/dbraw/zinc/09/64/17/408096417.db2.gz WKRLURFRHGLNHT-QKCSRTOESA-N 2 0 313.239 1.723 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175330468 408105868 /nfs/dbraw/zinc/10/58/68/408105868.db2.gz CWYBYUVRMLGPDG-KRWDZBQOSA-N 2 0 324.513 1.392 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000246292507 408209054 /nfs/dbraw/zinc/20/90/54/408209054.db2.gz KXZAMPPZNWOAMI-XHSDSOJGSA-N 2 0 312.502 1.944 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)C1 ZINC000246365442 408234086 /nfs/dbraw/zinc/23/40/86/408234086.db2.gz IRUMTGAOGQMCJF-BRWVUGGUSA-N 2 0 322.497 1.842 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000246542826 408287040 /nfs/dbraw/zinc/28/70/40/408287040.db2.gz KNXPUBKNWQNANF-ZACQAIPSSA-N 2 0 322.497 1.985 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCCCC1 ZINC000246996260 408383217 /nfs/dbraw/zinc/38/32/17/408383217.db2.gz FJZUZQXDZOOENQ-HOTGVXAUSA-N 2 0 308.470 1.741 10 0 DDAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247075778 408402686 /nfs/dbraw/zinc/40/26/86/408402686.db2.gz YUUZICXCFKBHCQ-HOTGVXAUSA-N 2 0 308.470 1.741 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000176975872 408488814 /nfs/dbraw/zinc/48/88/14/408488814.db2.gz GDHNYDKVMNLJGO-OAHLLOKOSA-N 2 0 313.405 1.824 10 0 DDAERP COc1ncccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000193336885 408713267 /nfs/dbraw/zinc/71/32/67/408713267.db2.gz HCARXDPBYYJCRY-CQSZACIVSA-N 2 0 307.438 1.615 10 0 DDAERP CCc1nc2ccccc2n1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195318405 222197797 /nfs/dbraw/zinc/19/77/97/222197797.db2.gz DGDCLGFLVFCPGK-AWEZNQCLSA-N 2 0 312.417 1.905 10 0 DDAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378904285 418725821 /nfs/dbraw/zinc/72/58/21/418725821.db2.gz JLBCMDKUCIPIOB-DJIMGWMZSA-N 2 0 301.434 1.480 10 0 DDAERP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000380929769 418728156 /nfs/dbraw/zinc/72/81/56/418728156.db2.gz FNMAZMZCSOODDY-SJORKVTESA-N 2 0 301.434 1.624 10 0 DDAERP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000262014597 289059933 /nfs/dbraw/zinc/05/99/33/289059933.db2.gz VVIULVNFSFEXFZ-GVDBMIGSSA-N 2 0 309.498 1.998 10 0 DDAERP [NH3+][C@@H]1CCCCN(C(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000082160939 295297214 /nfs/dbraw/zinc/29/72/14/295297214.db2.gz HKGDYGSUNAVJLN-OAHLLOKOSA-N 2 0 309.454 1.217 10 0 DDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000179853519 525749808 /nfs/dbraw/zinc/74/98/08/525749808.db2.gz JSKUXBJQIRHDOA-WMLDXEAASA-N 2 0 319.449 1.238 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000179853566 525787624 /nfs/dbraw/zinc/78/76/24/525787624.db2.gz JSKUXBJQIRHDOA-PBHICJAKSA-N 2 0 319.449 1.238 10 0 DDAERP C[C@@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)N1CCc2ccccc2C1 ZINC000248900601 698383671 /nfs/dbraw/zinc/38/36/71/698383671.db2.gz YXTOAUFBSFABCA-GRDNDAEWSA-N 2 0 301.434 1.690 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000262170136 698457460 /nfs/dbraw/zinc/45/74/60/698457460.db2.gz AQNYEKZPAJWQIC-RHSMWYFYSA-N 2 0 319.449 1.508 10 0 DDAERP CC[N@H+](C)CCNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088542599 185256161 /nfs/dbraw/zinc/25/61/61/185256161.db2.gz OUEQOHREBMLPRZ-UHFFFAOYSA-N 2 0 317.455 1.398 10 0 DDAERP Cc1ccc2c(c1)[C@@H](C[NH3+])N(CCCC[NH+]1CCN(C)CC1)C2 ZINC000071683013 191006744 /nfs/dbraw/zinc/00/67/44/191006744.db2.gz MNWDVVBZJQLKBS-LJQANCHMSA-N 2 0 316.493 1.838 10 0 DDAERP CCC[C@@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000236939655 202082248 /nfs/dbraw/zinc/08/22/48/202082248.db2.gz ZHGANLWOKNPUDU-OAHLLOKOSA-N 2 0 311.470 1.513 10 0 DDAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2ccc(Br)o2)CC1 ZINC000020217681 182198176 /nfs/dbraw/zinc/19/81/76/182198176.db2.gz NEMRTTRPSIFTDA-JTQLQIEISA-N 2 0 302.216 1.679 10 0 DDAERP COc1c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)nn1C ZINC000121128974 248271001 /nfs/dbraw/zinc/27/10/01/248271001.db2.gz NATFCMJCIKYBEP-ZDUSSCGKSA-N 2 0 324.469 1.262 10 0 DDAERP C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000333750462 249092192 /nfs/dbraw/zinc/09/21/92/249092192.db2.gz YXHJWWXGCNNHEV-QSPRXWTASA-N 2 0 316.449 1.511 10 0 DDAERP C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000333750459 249092731 /nfs/dbraw/zinc/09/27/31/249092731.db2.gz YXHJWWXGCNNHEV-BSWAZPDLSA-N 2 0 316.449 1.511 10 0 DDAERP CC(C)CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1C[NH3+] ZINC000042768508 183306942 /nfs/dbraw/zinc/30/69/42/183306942.db2.gz OCBCQKNKXFDLSD-UHFFFAOYSA-N 2 0 313.467 1.354 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)CCC[NH2+]C(C)C)C1 ZINC000110389703 194326833 /nfs/dbraw/zinc/32/68/33/194326833.db2.gz BAZHRZUNQOYOKV-CQSZACIVSA-N 2 0 305.488 1.120 10 0 DDAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105181960 407353030 /nfs/dbraw/zinc/35/30/30/407353030.db2.gz MHTWRSBEGCHWBU-BRWVUGGUSA-N 2 0 322.497 1.987 10 0 DDAERP C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1[NH3+] ZINC000262133120 407748136 /nfs/dbraw/zinc/74/81/36/407748136.db2.gz YIYMFESRVVUFNE-QAPCUYQASA-N 3 0 316.493 1.996 10 0 DDAERP CCCn1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000179516554 407799964 /nfs/dbraw/zinc/79/99/64/407799964.db2.gz MGWJIGXULVHHNW-HNNXBMFYSA-N 2 0 308.470 1.818 10 0 DDAERP C[NH2+]CCc1ccccc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000262346569 407805455 /nfs/dbraw/zinc/80/54/55/407805455.db2.gz UVJDIJISNQKIRY-MRXNPFEDSA-N 2 0 301.434 1.759 10 0 DDAERP CN(Cc1ccccc1F)C(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262400157 407825755 /nfs/dbraw/zinc/82/57/55/407825755.db2.gz CEGMNMQIORKVET-DUVNUKRYSA-N 2 0 305.397 1.453 10 0 DDAERP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2ncc[nH]2)CC1)c1ccccc1 ZINC000237999938 407865133 /nfs/dbraw/zinc/86/51/33/407865133.db2.gz WIVZOKHFOYTILR-KRWDZBQOSA-N 2 0 314.433 1.945 10 0 DDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000263145346 408038409 /nfs/dbraw/zinc/03/84/09/408038409.db2.gz CPPNHDKTHGPMHX-WMLDXEAASA-N 3 0 323.868 1.474 10 0 DDAERP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)[nH+]1 ZINC000151115118 408259845 /nfs/dbraw/zinc/25/98/45/408259845.db2.gz SPECKWRINNKZIA-OAHLLOKOSA-N 2 0 302.422 1.746 10 0 DDAERP C[C@@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000246281828 408204431 /nfs/dbraw/zinc/20/44/31/408204431.db2.gz KBJZSKNJDPAOJK-RBSFLKMASA-N 2 0 310.486 1.841 10 0 DDAERP CCC[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000166607643 162169216 /nfs/dbraw/zinc/16/92/16/162169216.db2.gz ZRJDSGMOJVGPCF-JYJNAYRXSA-N 2 0 310.486 1.131 10 0 DDAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177839410 408725383 /nfs/dbraw/zinc/72/53/83/408725383.db2.gz PSGLIMHEUBSNLC-QZTJIDSGSA-N 2 0 306.450 1.838 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000194169186 408768424 /nfs/dbraw/zinc/76/84/24/408768424.db2.gz YDALNDSTEGGKEG-MRXNPFEDSA-N 2 0 310.486 1.844 10 0 DDAERP CCC[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[NH+](C)C ZINC000136518429 196540091 /nfs/dbraw/zinc/54/00/91/196540091.db2.gz LUBZBPZRYLSBLC-KRWDZBQOSA-N 2 0 321.465 1.974 10 0 DDAERP C[C@H]([NH2+]CCn1cc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000517730987 421625343 /nfs/dbraw/zinc/62/53/43/421625343.db2.gz VTEVSHBCKOZUQT-WDEREUQCSA-N 2 0 301.232 1.623 10 0 DDAERP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649299350 423734902 /nfs/dbraw/zinc/73/49/02/423734902.db2.gz MCJYVWHLSIKIHM-DLBZAZTESA-N 2 0 317.433 1.003 10 0 DDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000113620896 279271156 /nfs/dbraw/zinc/27/11/56/279271156.db2.gz LLEULJFVTDRIJZ-XHSDSOJGSA-N 2 0 308.470 1.739 10 0 DDAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000263243862 300818340 /nfs/dbraw/zinc/81/83/40/300818340.db2.gz PAUBPBOOBYPBSO-JZXOWHBKSA-N 2 0 323.481 1.465 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[NH2+]C1 ZINC000400454080 302370100 /nfs/dbraw/zinc/37/01/00/302370100.db2.gz RWTQRTYRWKTWGH-RYQLBKOJSA-N 2 0 303.450 1.475 10 0 DDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000261763583 303426299 /nfs/dbraw/zinc/42/62/99/303426299.db2.gz JWIIJOGJEVBSIG-DZUCGIPZSA-N 2 0 319.424 1.762 10 0 DDAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261879941 698443128 /nfs/dbraw/zinc/44/31/28/698443128.db2.gz FGKSFPHSEMZPJN-BZSNNMDCSA-N 2 0 307.482 1.608 10 0 DDAERP C[NH+]1CCC(CNc2nc(NN)[nH+]cc2Br)CC1 ZINC000087867897 185234136 /nfs/dbraw/zinc/23/41/36/185234136.db2.gz WJZAWHOIHODYQD-UHFFFAOYSA-N 2 0 315.219 1.278 10 0 DDAERP CC[NH+](CC)C[C@H](C)Nc1nc(NN)[nH+]cc1Br ZINC000087868726 185234192 /nfs/dbraw/zinc/23/41/92/185234192.db2.gz PVLQMYOUGOEJTN-QMMMGPOBSA-N 2 0 317.235 1.667 10 0 DDAERP Cc1cccc2c1CN(C[C@@H](C)C[NH+]1CCOCC1)[C@@H]2C[NH3+] ZINC000071683046 191007100 /nfs/dbraw/zinc/00/71/00/191007100.db2.gz LUSAIFCDIPNIMV-KBXCAEBGSA-N 2 0 303.450 1.779 10 0 DDAERP C[C@H](O)CN1Cc2c(cccc2OC2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000071684976 191008280 /nfs/dbraw/zinc/00/82/80/191008280.db2.gz SNNWRASOXAKNSS-GUYCJALGSA-N 2 0 319.449 1.356 10 0 DDAERP C[NH+]1CCN([C@H](CN2CC[NH2+]CC2)c2cccc(Cl)c2)CC1 ZINC000036462758 352295439 /nfs/dbraw/zinc/29/54/39/352295439.db2.gz LXFOXNLPQMKKIF-QGZVFWFLSA-N 2 0 322.884 1.534 10 0 DDAERP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379455026 354625621 /nfs/dbraw/zinc/62/56/21/354625621.db2.gz MSXBYWWFCILLLF-IRXDYDNUSA-N 2 0 301.434 1.767 10 0 DDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000236987610 202110090 /nfs/dbraw/zinc/11/00/90/202110090.db2.gz JWLYLWKAIMHWAN-IUODEOHRSA-N 2 0 308.426 1.012 10 0 DDAERP CCC[C@@](C)([NH3+])C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000262535672 203323072 /nfs/dbraw/zinc/32/30/72/203323072.db2.gz JQVPEMMMSLYGDR-MRXNPFEDSA-N 2 0 308.426 1.156 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000094638902 193387735 /nfs/dbraw/zinc/38/77/35/193387735.db2.gz OIMKPBRIWSONLG-UKRRQHHQSA-N 2 0 318.483 1.172 10 0 DDAERP C[NH2+]CCC1CC[NH+]([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094638748 193388292 /nfs/dbraw/zinc/38/82/92/193388292.db2.gz YXPULHJEEBLENO-LSDHHAIUSA-N 2 0 302.484 1.664 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC000094645195 193390095 /nfs/dbraw/zinc/39/00/95/193390095.db2.gz YPAMVRURORDPRE-ARFHVFGLSA-N 2 0 314.495 1.806 10 0 DDAERP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020300266 182203913 /nfs/dbraw/zinc/20/39/13/182203913.db2.gz GNBNMXOBFHKIGT-STQMWFEESA-N 2 0 300.447 1.321 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000041681877 183217236 /nfs/dbraw/zinc/21/72/36/183217236.db2.gz ULKMVPNZNZEHIG-UHFFFAOYSA-N 2 0 305.488 1.026 10 0 DDAERP CCC(CC)[N@H+](CCOC)[C@@H]1CC2(CC[C@@H]1[NH3+])OCCO2 ZINC000042616038 183291381 /nfs/dbraw/zinc/29/13/81/183291381.db2.gz LZOLBHVRCXVQBB-LSDHHAIUSA-N 2 0 300.443 1.746 10 0 DDAERP CC[NH+]1CCC(N(C)S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000042681651 183296556 /nfs/dbraw/zinc/29/65/56/183296556.db2.gz OLQXLDGKKOPMRD-AWEZNQCLSA-N 2 0 317.499 1.265 10 0 DDAERP CC[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCN(CCO)CC1 ZINC000043252742 183347352 /nfs/dbraw/zinc/34/73/52/183347352.db2.gz QWQORGXUZAJWAA-BXUZGUMPSA-N 2 0 317.886 1.790 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000105198499 194084051 /nfs/dbraw/zinc/08/40/51/194084051.db2.gz PXWIMTQLIUTLQW-IAGOWNOFSA-N 2 0 322.497 1.987 10 0 DDAERP [NH3+]Cc1cccc(S(=O)(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000062941560 184261891 /nfs/dbraw/zinc/26/18/91/184261891.db2.gz PYDQVDANUHMJIF-CQSZACIVSA-N 2 0 309.435 1.004 10 0 DDAERP O=C(C[NH2+]C1CC1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000568354243 304287073 /nfs/dbraw/zinc/28/70/73/304287073.db2.gz DXUDVNDBXWLSLE-ZDUSSCGKSA-N 2 0 320.462 1.366 10 0 DDAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](CC(C)C)C[NH+](C)C)C1(C)C ZINC000262581354 286417608 /nfs/dbraw/zinc/41/76/08/286417608.db2.gz YZVQHAQWAIPQSE-CPUCHLNUSA-N 2 0 313.486 1.611 10 0 DDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000111816748 407416872 /nfs/dbraw/zinc/41/68/72/407416872.db2.gz PAJUKQIRHMFJSS-GJZGRUSLSA-N 2 0 314.474 1.127 10 0 DDAERP CCN(C(C)=O)c1nc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000261616112 407553630 /nfs/dbraw/zinc/55/36/30/407553630.db2.gz FTLRDHDJHMTYMN-FPMFFAJLSA-N 2 0 308.451 1.685 10 0 DDAERP CCC[NH+]1CCN(c2ccccc2CN2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000261683638 407577485 /nfs/dbraw/zinc/57/74/85/407577485.db2.gz AKBXLTCKQMYDRJ-WMZOPIPTSA-N 3 0 316.493 1.998 10 0 DDAERP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000261833051 407632684 /nfs/dbraw/zinc/63/26/84/407632684.db2.gz XWOFFNOSBXZKRI-HOCLYGCPSA-N 2 0 312.417 1.344 10 0 DDAERP CC(C)c1nc(CN(C)[C@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000261962620 407691236 /nfs/dbraw/zinc/69/12/36/407691236.db2.gz PKORBGQYZPUUSS-CABCVRRESA-N 2 0 321.469 1.699 10 0 DDAERP Cn1c2ccc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2sc1=O ZINC000262036996 407719958 /nfs/dbraw/zinc/71/99/58/407719958.db2.gz XTVAGDKPNQOGTL-RWMBFGLXSA-N 2 0 303.431 1.769 10 0 DDAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000263247943 408072566 /nfs/dbraw/zinc/07/25/66/408072566.db2.gz IGVGBJIXAJBWPT-OLZOCXBDSA-N 2 0 318.421 1.643 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000176223053 408316168 /nfs/dbraw/zinc/31/61/68/408316168.db2.gz QNSPLVRMHXKZSM-HOCLYGCPSA-N 2 0 308.470 1.596 10 0 DDAERP COC[C@@H](Cc1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151297017 408290660 /nfs/dbraw/zinc/29/06/60/408290660.db2.gz HZBGLDSHSSCXRN-QZTJIDSGSA-N 2 0 306.450 1.681 10 0 DDAERP CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000183281085 408370601 /nfs/dbraw/zinc/37/06/01/408370601.db2.gz RFDOCIBQPKOBFR-INIZCTEOSA-N 2 0 303.454 1.909 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000247381414 408460827 /nfs/dbraw/zinc/46/08/27/408460827.db2.gz PTEGKTKFSUSESM-GDBMZVCRSA-N 2 0 310.486 1.746 10 0 DDAERP Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000192575817 408614518 /nfs/dbraw/zinc/61/45/18/408614518.db2.gz QXMGBDOGJBGHTG-KGLIPLIRSA-N 2 0 322.453 1.576 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2ccnc2c1 ZINC000177787923 408713371 /nfs/dbraw/zinc/71/33/71/408713371.db2.gz ZKNZIFKBRARGEU-UKRRQHHQSA-N 2 0 313.405 1.712 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CC2CCCC2)CC1 ZINC000191337278 163182088 /nfs/dbraw/zinc/18/20/88/163182088.db2.gz BEGKDAXUHLFSCB-MAUKXSAKSA-N 2 0 312.498 1.952 10 0 DDAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)CC3CC3)C2)[nH+]1 ZINC000195516321 163325852 /nfs/dbraw/zinc/32/58/52/163325852.db2.gz SOYQIQUGXYPPQZ-MRXNPFEDSA-N 2 0 316.449 1.992 10 0 DDAERP CCC(CC)(C[NH3+])C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000261994533 163744988 /nfs/dbraw/zinc/74/49/88/163744988.db2.gz NGPRYQJYLBCIEU-AWEZNQCLSA-N 2 0 313.486 1.303 10 0 DDAERP C[NH2+]CC(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000193128381 277264712 /nfs/dbraw/zinc/26/47/12/277264712.db2.gz WHQSSRWFRSOYML-AWEZNQCLSA-N 2 0 303.406 1.310 10 0 DDAERP CC[NH+](CC)CCSCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263178830 279113332 /nfs/dbraw/zinc/11/33/32/279113332.db2.gz GLBHIBMCPBZOST-GFCCVEGCSA-N 2 0 313.471 1.221 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247085421 282033606 /nfs/dbraw/zinc/03/36/06/282033606.db2.gz PNOJGMLTTVINNB-HRCADAONSA-N 2 0 310.486 1.985 10 0 DDAERP C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000571991897 308207456 /nfs/dbraw/zinc/20/74/56/308207456.db2.gz AXQMOEMXMBAKOB-YTQUADARSA-N 2 0 317.477 1.601 10 0 DDAERP O=C(C[NH2+]C1CC1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186618097 484115343 /nfs/dbraw/zinc/11/53/43/484115343.db2.gz MPYVOYILLAGYGU-MRXNPFEDSA-N 2 0 302.422 1.304 10 0 DDAERP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000131783958 696808906 /nfs/dbraw/zinc/80/89/06/696808906.db2.gz SODFPEQNPPTVTO-OAHLLOKOSA-N 2 0 319.405 1.661 10 0 DDAERP [NH3+]C1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000261553727 698427408 /nfs/dbraw/zinc/42/74/08/698427408.db2.gz SROFBQLSBXKMCZ-INIZCTEOSA-N 2 0 317.433 1.275 10 0 DDAERP COCc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000888097608 709212687 /nfs/dbraw/zinc/21/26/87/709212687.db2.gz KWEYVNPOCKPKLU-BRSBDYLESA-N 2 0 322.449 1.995 10 0 DDAERP COCc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)o1 ZINC000888097611 709212728 /nfs/dbraw/zinc/21/27/28/709212728.db2.gz KWEYVNPOCKPKLU-ZJPYXAASSA-N 2 0 322.449 1.995 10 0 DDAERP CC[NH+]1CCN(CCCN2Cc3ccc(C)cc3[C@@H]2C[NH3+])CC1 ZINC000071683014 191006500 /nfs/dbraw/zinc/00/65/00/191006500.db2.gz BIIHGZOWLOZWJH-IBGZPJMESA-N 2 0 316.493 1.838 10 0 DDAERP c1ccc(NC[C@H]2CC[N@@H+](CCCN3CCOCC3)C2)nc1 ZINC000173778892 198250749 /nfs/dbraw/zinc/25/07/49/198250749.db2.gz SSHXSTZEMYPBJA-MRXNPFEDSA-N 2 0 304.438 1.538 10 0 DDAERP NC(=O)[C@]1([NH3+])CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000093596120 193270955 /nfs/dbraw/zinc/27/09/55/193270955.db2.gz OWQXAVGMIINEOA-MDZLAQPJSA-N 2 0 307.360 1.634 10 0 DDAERP C[N@@H+](CC(=O)N1CCc2sccc2C1)CC1CC[NH2+]CC1 ZINC000094024370 193339834 /nfs/dbraw/zinc/33/98/34/193339834.db2.gz XZXWMTYKJOVOCM-UHFFFAOYSA-N 2 0 307.463 1.564 10 0 DDAERP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094384005 193367526 /nfs/dbraw/zinc/36/75/26/193367526.db2.gz LKPYARTZIIDRBL-OAHLLOKOSA-N 2 0 313.511 1.268 10 0 DDAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC([NH+](C)C)CC1 ZINC000106457768 194217779 /nfs/dbraw/zinc/21/77/79/194217779.db2.gz PLRNWELSBXUSIN-KRWDZBQOSA-N 2 0 303.450 1.712 10 0 DDAERP COCC[NH2+]Cc1sc(N(C)C2CC[NH+](C)CC2)nc1C ZINC000054994901 183956919 /nfs/dbraw/zinc/95/69/19/183956919.db2.gz BJXZXFKBSSPXAQ-UHFFFAOYSA-N 2 0 312.483 1.718 10 0 DDAERP CCOC(=O)[C@](C)(CCCC[N@H+](C)CCC[NH+](C)C)NC ZINC000111145597 194395046 /nfs/dbraw/zinc/39/50/46/194395046.db2.gz DFLNAGPQTGZBLW-INIZCTEOSA-N 2 0 301.475 1.581 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000177396935 285271309 /nfs/dbraw/zinc/27/13/09/285271309.db2.gz SNDPUXVAPOPIAV-INIZCTEOSA-N 2 0 310.486 1.844 10 0 DDAERP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2C[C@H]2CCOC2)N1CC[NH+]1CCCC1 ZINC000248071504 257109411 /nfs/dbraw/zinc/10/94/11/257109411.db2.gz YHJWVJBUGLKXFQ-BRWVUGGUSA-N 2 0 321.465 1.184 10 0 DDAERP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859074 407644635 /nfs/dbraw/zinc/64/46/35/407644635.db2.gz BYLIHXDPXGTPGZ-RCCFBDPRSA-N 2 0 309.498 1.998 10 0 DDAERP c1ncc(C[N@@H+](CC2CCOCC2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261721868 407592447 /nfs/dbraw/zinc/59/24/47/407592447.db2.gz NMOPAFSVEKBFDJ-QGZVFWFLSA-N 2 0 304.438 1.847 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3cccnc3n2)CC1 ZINC000171588674 407711574 /nfs/dbraw/zinc/71/15/74/407711574.db2.gz LWEGEBPPUDGZPT-AWEZNQCLSA-N 2 0 317.437 1.254 10 0 DDAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000263216170 408061523 /nfs/dbraw/zinc/06/15/23/408061523.db2.gz KXLKLULUZMARRZ-LZWOXQAQSA-N 2 0 305.422 1.190 10 0 DDAERP CC[NH+](CC)CCOc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263309160 408101621 /nfs/dbraw/zinc/10/16/21/408101621.db2.gz OYSANGVHHZIXHV-UHFFFAOYSA-N 2 0 305.422 1.243 10 0 DDAERP CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151100336 408256159 /nfs/dbraw/zinc/25/61/59/408256159.db2.gz MZLLQZPXFAASTC-CABCVRRESA-N 2 0 307.438 1.991 10 0 DDAERP C[N@H+](CCNC(=O)N1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000247225534 408432352 /nfs/dbraw/zinc/43/23/52/408432352.db2.gz CJSXCYNDLKOAAR-KRWDZBQOSA-N 2 0 316.449 1.608 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000247269779 408442875 /nfs/dbraw/zinc/44/28/75/408442875.db2.gz CABWLJXTJFZPSP-CVEARBPZSA-N 2 0 312.502 1.944 10 0 DDAERP C[NH+](C)CC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000247563930 408492569 /nfs/dbraw/zinc/49/25/69/408492569.db2.gz VHOKOZLIPQMLRA-GJZGRUSLSA-N 2 0 310.486 1.842 10 0 DDAERP C[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000390776035 418755791 /nfs/dbraw/zinc/75/57/91/418755791.db2.gz NBNPPEAUWHCSOT-HYVNUMGLSA-N 2 0 303.450 1.998 10 0 DDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000638837242 423150453 /nfs/dbraw/zinc/15/04/53/423150453.db2.gz YIUOTHUZBGHLQK-UAGQMJEPSA-N 2 0 301.434 1.480 10 0 DDAERP [NH3+]C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000237798530 295260925 /nfs/dbraw/zinc/26/09/25/295260925.db2.gz MQOXLBKBIBSTLG-KRWDZBQOSA-N 2 0 301.434 1.816 10 0 DDAERP [NH3+]C1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCOCC1 ZINC000261646797 303355772 /nfs/dbraw/zinc/35/57/72/303355772.db2.gz AEDGJUKKQCEGSE-ZDUSSCGKSA-N 2 0 323.462 1.509 10 0 DDAERP CCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309773556 484380152 /nfs/dbraw/zinc/38/01/52/484380152.db2.gz IHRPPAAIFTYJJH-NCXUSEDFSA-N 2 0 318.461 1.884 10 0 DDAERP Cc1cc(N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc[nH+]1 ZINC000261822206 698439351 /nfs/dbraw/zinc/43/93/51/698439351.db2.gz AUKUQMSPDQSCON-GDBMZVCRSA-N 2 0 302.422 1.475 10 0 DDAERP CC[NH+](CC)CCS[C@H]1CC2(CC[C@H]1[NH2+]C)OCCO2 ZINC000088736441 185263778 /nfs/dbraw/zinc/26/37/78/185263778.db2.gz VNXFFKLPSJUQLH-KGLIPLIRSA-N 2 0 302.484 1.945 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000170862090 282240912 /nfs/dbraw/zinc/24/09/12/282240912.db2.gz KVBJJXLIMVKLPB-JKSUJKDBSA-N 2 0 304.438 1.635 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000092629803 185330509 /nfs/dbraw/zinc/33/05/09/185330509.db2.gz KUOGODJEKVZAGG-AAEUAGOBSA-N 2 0 307.360 1.471 10 0 DDAERP Cc1c(C[NH3+])cccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432127 193054564 /nfs/dbraw/zinc/05/45/64/193054564.db2.gz SUEABAOQVRHCOD-AWEZNQCLSA-N 2 0 311.451 1.168 10 0 DDAERP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])(SC)CC1 ZINC000091474135 193061095 /nfs/dbraw/zinc/06/10/95/193061095.db2.gz ZOLMXCNGNJLWTN-LBPRGKRZSA-N 2 0 301.500 1.836 10 0 DDAERP CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093596083 193270652 /nfs/dbraw/zinc/27/06/52/193270652.db2.gz ANCZVOKSAATGEQ-YPMHNXCESA-N 2 0 309.376 1.894 10 0 DDAERP NC(=O)[C@@]1([NH3+])CCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093596139 193271565 /nfs/dbraw/zinc/27/15/65/193271565.db2.gz JQJRWDRPYOAMTK-ZWNOBZJWSA-N 2 0 307.360 1.634 10 0 DDAERP Cc1csc2nc(C[N@H+](C)CC3CC[NH2+]CC3)cc(=O)n12 ZINC000094024698 193340155 /nfs/dbraw/zinc/34/01/55/193340155.db2.gz KQQPSTAOGSNMRN-UHFFFAOYSA-N 2 0 306.435 1.496 10 0 DDAERP CCn1cc(C[N@@H+]2CCC[C@H](N(C)CC[NH+](C)C)C2)c(C)n1 ZINC000019224402 182108102 /nfs/dbraw/zinc/10/81/02/182108102.db2.gz ZFOAYXIPFVXGOI-KRWDZBQOSA-N 2 0 307.486 1.669 10 0 DDAERP C[NH+]1CCC(CCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000105245517 194088282 /nfs/dbraw/zinc/08/82/82/194088282.db2.gz PGORYIGRFHPPEI-INIZCTEOSA-N 2 0 308.470 1.598 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn3ccccc3n2)CC1 ZINC000105862306 194149938 /nfs/dbraw/zinc/14/99/38/194149938.db2.gz ILEADNVDCJYKPK-HNNXBMFYSA-N 2 0 316.449 1.859 10 0 DDAERP CCCc1nc(N(C)CC[NH+](C)C)sc1C[NH2+]CCOC ZINC000111151800 194397047 /nfs/dbraw/zinc/39/70/47/194397047.db2.gz JGETYLWQBUMJSC-UHFFFAOYSA-N 2 0 314.499 1.829 10 0 DDAERP [NH3+]Cc1cccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000062968014 184263801 /nfs/dbraw/zinc/26/38/01/184263801.db2.gz HKPZIBMGYJFRRC-AWEZNQCLSA-N 2 0 309.435 1.004 10 0 DDAERP CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000063121371 184271801 /nfs/dbraw/zinc/27/18/01/184271801.db2.gz YRQFSYWOBZEWQQ-UHFFFAOYSA-N 2 0 311.451 1.108 10 0 DDAERP Cc1cc(CN2C[C@@H]3OC[C@H](C[NH+]4CCCC4)[C@H]3C2)n(C)n1 ZINC000503717849 257209086 /nfs/dbraw/zinc/20/90/86/257209086.db2.gz CJYMHFNECKSPEJ-UAGQMJEPSA-N 2 0 304.438 1.271 10 0 DDAERP CCCOC(=O)N(CCC[NH+](C)C)C(=O)NCCC[NH+](C)C ZINC000071973935 184916062 /nfs/dbraw/zinc/91/60/62/184916062.db2.gz ZGHNLPAPQJAKNF-UHFFFAOYSA-N 2 0 316.446 1.448 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000123772508 407338486 /nfs/dbraw/zinc/33/84/86/407338486.db2.gz PNHKJGVNSUPCLY-ILXRZTDVSA-N 2 0 312.502 1.991 10 0 DDAERP CC1CC[NH+](CCCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113583459 407516051 /nfs/dbraw/zinc/51/60/51/407516051.db2.gz MXRDMKKCKFJSLR-DLBZAZTESA-N 2 0 322.497 1.987 10 0 DDAERP c1ccc(CN2CCO[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261582229 407544994 /nfs/dbraw/zinc/54/49/94/407544994.db2.gz GQEJIQQRTHVEHB-ZWKOTPCHSA-N 2 0 303.450 1.619 10 0 DDAERP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262069035 407731737 /nfs/dbraw/zinc/73/17/37/407731737.db2.gz SGFCHPNYSDUPOB-GOEBONIOSA-N 2 0 311.470 1.369 10 0 DDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@@H]12 ZINC000262584415 407874000 /nfs/dbraw/zinc/87/40/00/407874000.db2.gz ZMLUWQPYDGDBPH-ZLKJLUDKSA-N 2 0 318.808 1.517 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cn2ccccc2n1 ZINC000174981941 408020056 /nfs/dbraw/zinc/02/00/56/408020056.db2.gz BIOUPKRZXZYHGE-HZPDHXFCSA-N 2 0 312.417 1.962 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000246376802 408238237 /nfs/dbraw/zinc/23/82/37/408238237.db2.gz JNFCFMKPJGTFSZ-CVEARBPZSA-N 2 0 308.470 1.454 10 0 DDAERP C[NH+](C)CCCCCCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171904790 162245640 /nfs/dbraw/zinc/24/56/40/162245640.db2.gz PITXJNFJJXLDTP-INIZCTEOSA-N 2 0 310.486 1.988 10 0 DDAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247504346 408483498 /nfs/dbraw/zinc/48/34/98/408483498.db2.gz OGSRFKMXGVCTGA-SJORKVTESA-N 2 0 322.497 1.988 10 0 DDAERP C[C@H]1OCCC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000191670778 408468245 /nfs/dbraw/zinc/46/82/45/408468245.db2.gz PZKQWZDBJNCWFL-HZPDHXFCSA-N 2 0 313.486 1.534 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000194157907 408768597 /nfs/dbraw/zinc/76/85/97/408768597.db2.gz WOFJPSXRAMWQHA-MRXNPFEDSA-N 2 0 308.470 1.644 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000194187224 408771311 /nfs/dbraw/zinc/77/13/11/408771311.db2.gz ILOIABIJKFGRIL-MRXNPFEDSA-N 2 0 312.502 1.946 10 0 DDAERP C[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000390776036 418755821 /nfs/dbraw/zinc/75/58/21/418755821.db2.gz NBNPPEAUWHCSOT-OIISXLGYSA-N 2 0 303.450 1.998 10 0 DDAERP COC[C@@]1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649332211 423760102 /nfs/dbraw/zinc/76/01/02/423760102.db2.gz GXQRJZIOWDQZEL-CRAIPNDOSA-N 2 0 319.449 1.392 10 0 DDAERP CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CCC([NH3+])CC2)C1 ZINC000665283313 424774472 /nfs/dbraw/zinc/77/44/72/424774472.db2.gz LIYSHZLWTDOERS-CTWPCTMYSA-N 2 0 316.493 1.662 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000271448759 274355207 /nfs/dbraw/zinc/35/52/07/274355207.db2.gz HVRPTNJBOUTOSM-QRQLOZEOSA-N 2 0 317.477 1.817 10 0 DDAERP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261837381 279262928 /nfs/dbraw/zinc/26/29/28/279262928.db2.gz UQUDFOUKZOMAMB-UKRRQHHQSA-N 2 0 319.453 1.853 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119114834 281090722 /nfs/dbraw/zinc/09/07/22/281090722.db2.gz ZQMQPTYKNWMGAX-ZGRYLRDCSA-N 2 0 322.497 1.985 10 0 DDAERP O=C1NCCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716670494 699283399 /nfs/dbraw/zinc/28/33/99/699283399.db2.gz NHIAFWQYIZIGSM-XLAORIBOSA-N 2 0 313.445 1.908 10 0 DDAERP CC[NH+](CC)CCN[C@@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000087912630 185237402 /nfs/dbraw/zinc/23/74/02/185237402.db2.gz BKUPXQSIRNAYHC-ZDUSSCGKSA-N 2 0 313.829 2.000 10 0 DDAERP CC(C)[NH2+]CCCS(=O)(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088164944 185241056 /nfs/dbraw/zinc/24/10/56/185241056.db2.gz MTGAOPCIKAXADP-GOOCMWNKSA-N 2 0 317.499 1.309 10 0 DDAERP C[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@H](C(F)(F)F)C1)C(N)=O ZINC000088435279 185250513 /nfs/dbraw/zinc/25/05/13/185250513.db2.gz YBVSBKIVSHSWQQ-AAEUAGOBSA-N 2 0 309.376 1.894 10 0 DDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000262659065 282293534 /nfs/dbraw/zinc/29/35/34/282293534.db2.gz FJUYKSZGKVTWQL-FZKCQIBNSA-N 2 0 311.470 1.367 10 0 DDAERP CC[NH2+][C@H](C)c1csc(N2CCN(CC[NH+](C)C)CC2)n1 ZINC000080830528 192194120 /nfs/dbraw/zinc/19/41/20/192194120.db2.gz CPCYWECNYFCTNH-CYBMUJFWSA-N 2 0 311.499 1.497 10 0 DDAERP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)NS(C)(=O)=O ZINC000093491606 193260077 /nfs/dbraw/zinc/26/00/77/193260077.db2.gz MPJHAFQACLBMJW-HZSPNIEDSA-N 2 0 317.499 1.215 10 0 DDAERP NC(=O)[C@]1([NH3+])CCC[C@H]1CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000093596121 193271809 /nfs/dbraw/zinc/27/18/09/193271809.db2.gz OWQXAVGMIINEOA-GVXVVHGQSA-N 2 0 307.360 1.634 10 0 DDAERP CN(C[C@@H]1CC[N@H+](C)C1)c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334292 193360337 /nfs/dbraw/zinc/36/03/37/193360337.db2.gz BDABFSCKWLLPIO-SNVBAGLBSA-N 2 0 302.344 1.947 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CNC(=S)N(CC[NH+](C)C)CC(C)C ZINC000043531537 183370389 /nfs/dbraw/zinc/37/03/89/183370389.db2.gz OAMLZHUGTOLKRX-OAHLLOKOSA-N 2 0 314.543 1.865 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH3+])s2)C1 ZINC000110389652 194327497 /nfs/dbraw/zinc/32/74/97/194327497.db2.gz OEIPJSMRMDHDGB-LLVKDONJSA-N 2 0 317.480 1.312 10 0 DDAERP C[C@H]([NH3+])c1cccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061652881 184181242 /nfs/dbraw/zinc/18/12/42/184181242.db2.gz FVWPEDXVWGNLOP-GXTWGEPZSA-N 2 0 311.451 1.421 10 0 DDAERP O=C1[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2CN1CC[NH+]1CCCC1 ZINC000247851071 257116518 /nfs/dbraw/zinc/11/65/18/257116518.db2.gz GZAZWYWEQLMDJF-QZTJIDSGSA-N 2 0 313.445 1.673 10 0 DDAERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000123492446 407330066 /nfs/dbraw/zinc/33/00/66/407330066.db2.gz DLROCMSVKJAXNG-INIZCTEOSA-N 2 0 311.470 1.024 10 0 DDAERP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261695529 407583683 /nfs/dbraw/zinc/58/36/83/407583683.db2.gz DKLFCMKBPWVEAV-UHFFFAOYSA-N 2 0 319.449 1.651 10 0 DDAERP C[C@@H]1CCC[C@@](CNC(=O)N2CC[C@H]([NH+](C)C)C2)([NH+](C)C)C1 ZINC000170833139 407522737 /nfs/dbraw/zinc/52/27/37/407522737.db2.gz UXFHRPQDLPXSDI-HLLBOEOZSA-N 2 0 310.486 1.842 10 0 DDAERP CCO[C@H]1C[C@H]([NH2+]CCC[N@H+](C)CCOC)C12CCOCC2 ZINC000186242035 407616021 /nfs/dbraw/zinc/61/60/21/407616021.db2.gz YVZPQCXBZWCHMY-HOTGVXAUSA-N 2 0 314.470 1.519 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)C1CCCCC1 ZINC000261896442 407658969 /nfs/dbraw/zinc/65/89/69/407658969.db2.gz WANJQEDKMNRDOW-JKSUJKDBSA-N 2 0 311.470 1.367 10 0 DDAERP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CCOCC1 ZINC000261908879 407667357 /nfs/dbraw/zinc/66/73/57/407667357.db2.gz IQZGXZKPDLLVJN-ZNMIVQPWSA-N 2 0 314.495 1.645 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262266589 407779152 /nfs/dbraw/zinc/77/91/52/407779152.db2.gz JXHQJMRGJQKLBC-PBHICJAKSA-N 2 0 319.449 1.651 10 0 DDAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000263306900 408101336 /nfs/dbraw/zinc/10/13/36/408101336.db2.gz YABQKKDWRGYBBP-KXBFYZLASA-N 2 0 322.412 1.695 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246292471 408208860 /nfs/dbraw/zinc/20/88/60/408208860.db2.gz KXZAMPPZNWOAMI-ARFHVFGLSA-N 2 0 312.502 1.944 10 0 DDAERP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171902931 162246521 /nfs/dbraw/zinc/24/65/21/162246521.db2.gz DMWFSZPIDWXWCR-MRXNPFEDSA-N 2 0 306.454 1.350 10 0 DDAERP CSCCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000173681739 162357334 /nfs/dbraw/zinc/35/73/34/162357334.db2.gz ONHNQEMALSYLKI-MRXNPFEDSA-N 2 0 315.527 1.466 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000247440275 408469932 /nfs/dbraw/zinc/46/99/32/408469932.db2.gz RYFUEWKUAXYIKV-KQTLUZQSSA-N 2 0 308.470 1.640 10 0 DDAERP C[C@@H]([NH3+])[C@H]1CN([C@H]2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)CCO1 ZINC000253370631 408813479 /nfs/dbraw/zinc/81/34/79/408813479.db2.gz UBYXGWGQSXDALW-ZAWLATJESA-N 2 0 317.477 1.945 10 0 DDAERP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)CC(C)C ZINC000262001810 163746239 /nfs/dbraw/zinc/74/62/39/163746239.db2.gz NMTAGNLKGOAQFW-JKSUJKDBSA-N 2 0 313.486 1.613 10 0 DDAERP COC[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649278915 423715518 /nfs/dbraw/zinc/71/55/18/423715518.db2.gz NBOPPILJQWSHQC-SJLPKXTDSA-N 2 0 317.433 1.146 10 0 DDAERP COC[C@]1(C(=O)NCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649305858 423739315 /nfs/dbraw/zinc/73/93/15/423739315.db2.gz INXANEKDPDSMSS-KRWDZBQOSA-N 2 0 305.422 1.003 10 0 DDAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261780150 275748375 /nfs/dbraw/zinc/74/83/75/275748375.db2.gz HIHFDWQOZZGJAH-OAHLLOKOSA-N 2 0 305.422 1.434 10 0 DDAERP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171899932 277384098 /nfs/dbraw/zinc/38/40/98/277384098.db2.gz GMDXNTBMTBCJGB-INIZCTEOSA-N 2 0 308.470 1.596 10 0 DDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000261763586 295272231 /nfs/dbraw/zinc/27/22/31/295272231.db2.gz JWIIJOGJEVBSIG-MWQQHZPXSA-N 2 0 319.424 1.762 10 0 DDAERP CC[NH2+][C@](C)(CCC[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435448 185250572 /nfs/dbraw/zinc/25/05/72/185250572.db2.gz KXFAAZVVFASRRL-CYBMUJFWSA-N 2 0 309.376 1.894 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)o1 ZINC000088541995 185256136 /nfs/dbraw/zinc/25/61/36/185256136.db2.gz NAAAZGSUKWLSCA-UHFFFAOYSA-N 2 0 317.455 1.255 10 0 DDAERP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)Cc1ccccc1C[NH3+] ZINC000092626672 185330002 /nfs/dbraw/zinc/33/00/02/185330002.db2.gz XTWSSGPFMKOCEA-OAHLLOKOSA-N 2 0 311.451 1.001 10 0 DDAERP Clc1cccc(N2CC[NH+](CC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000091313605 193039309 /nfs/dbraw/zinc/03/93/09/193039309.db2.gz OLOSBEHETLQJOY-MRXNPFEDSA-N 2 0 309.841 1.841 10 0 DDAERP CC[C@@H]([NH3+])c1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000041681723 183215930 /nfs/dbraw/zinc/21/59/30/183215930.db2.gz QGLFCFBCNCHCGD-OAHLLOKOSA-N 2 0 313.467 1.717 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000041682054 183217047 /nfs/dbraw/zinc/21/70/47/183217047.db2.gz ZYOPZNKHSSLNHM-ZDUSSCGKSA-N 2 0 313.467 1.196 10 0 DDAERP C[NH2+][C@H](C)c1cccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000043412210 183360819 /nfs/dbraw/zinc/36/08/19/183360819.db2.gz NQXYZUDZPAPXFE-GFCCVEGCSA-N 2 0 313.467 1.586 10 0 DDAERP CC1CC[NH+](CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000105127351 194075440 /nfs/dbraw/zinc/07/54/40/194075440.db2.gz BWLSBASASRFOBW-MRXNPFEDSA-N 2 0 308.470 1.598 10 0 DDAERP CCC[C@H](C(N)=S)[NH+]1CCN(CCC[NH+]2CCCC2)CC1 ZINC000109470043 194266669 /nfs/dbraw/zinc/26/66/69/194266669.db2.gz UEXFLTDHFRVOHJ-OAHLLOKOSA-N 2 0 312.527 1.545 10 0 DDAERP CC(C)[NH2+]CCCS(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110389815 194327513 /nfs/dbraw/zinc/32/75/13/194327513.db2.gz BBFOAMRMRZVWIK-HNNXBMFYSA-N 2 0 317.499 1.265 10 0 DDAERP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000123199468 407322663 /nfs/dbraw/zinc/32/26/63/407322663.db2.gz RWNGSMQFAMEFGI-OAGGEKHMSA-N 2 0 310.486 1.746 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000170863025 407535883 /nfs/dbraw/zinc/53/58/83/407535883.db2.gz UBQOPKGUNPHLKI-JKSUJKDBSA-N 2 0 322.428 1.774 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000262054039 407725427 /nfs/dbraw/zinc/72/54/27/407725427.db2.gz ZZPOWNSZCUESTC-BRSBDYLESA-N 2 0 309.498 1.854 10 0 DDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000179854771 407836303 /nfs/dbraw/zinc/83/63/03/407836303.db2.gz YUKRILYDCITQEV-BPUTZDHNSA-N 2 0 311.470 1.055 10 0 DDAERP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245395123 407957119 /nfs/dbraw/zinc/95/71/19/407957119.db2.gz HAZJIWOHUKCFRG-HUUCEWRRSA-N 2 0 300.491 1.992 10 0 DDAERP Cc1nccn1C[C@H]1CCCN1C(=O)NCCn1ccnc1 ZINC000175584022 408167501 /nfs/dbraw/zinc/16/75/01/408167501.db2.gz WFEVCLNSJADEMJ-CQSZACIVSA-N 2 0 302.382 1.262 10 0 DDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171907360 162248396 /nfs/dbraw/zinc/24/83/96/162248396.db2.gz HMDAQJNJKMULJX-JKSUJKDBSA-N 2 0 308.470 1.596 10 0 DDAERP CC(=O)N[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191450818 163186979 /nfs/dbraw/zinc/18/69/79/163186979.db2.gz SPRWGLQFDPQONQ-QGZVFWFLSA-N 2 0 310.486 1.003 10 0 DDAERP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000390526380 307293827 /nfs/dbraw/zinc/29/38/27/307293827.db2.gz COHHMRZVABSEMU-IBGZPJMESA-N 3 0 316.493 1.536 10 0 DDAERP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262135500 484264061 /nfs/dbraw/zinc/26/40/61/484264061.db2.gz OQDWADUKVQQCJN-CKEIUWERSA-N 2 0 319.449 1.697 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000381096730 490777676 /nfs/dbraw/zinc/77/76/76/490777676.db2.gz YIJYYCLQCDAJSK-FUHWJXTLSA-N 2 0 305.466 1.553 10 0 DDAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1CC([NH3+])C1 ZINC000708588235 699250257 /nfs/dbraw/zinc/25/02/57/699250257.db2.gz AULHDUYJTYVXEO-MHABSNSOSA-N 2 0 301.434 1.608 10 0 DDAERP [NH3+]CCC[NH2+]C[C@@H]1C[C@H]2[C@@H]([C@@H]3CC[C@H]2C3)[C@@H]1C[NH2+]CCC[NH3+] ZINC000096662717 185385320 /nfs/dbraw/zinc/38/53/20/185385320.db2.gz CNGMXDQCLASLHN-FQESAXDCSA-N 4 0 308.514 1.162 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)NCC[NH+](C(C)C)C(C)C)o1 ZINC000088541951 185255966 /nfs/dbraw/zinc/25/59/66/185255966.db2.gz BBOYGZKNGSOBQY-UHFFFAOYSA-N 2 0 317.455 1.396 10 0 DDAERP CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1CN(CC[NH3+])CC[NH2+]1 ZINC000616634275 362765126 /nfs/dbraw/zinc/76/51/26/362765126.db2.gz PHFZGWHXLRZFCD-HNNXBMFYSA-N 2 0 320.437 1.939 10 0 DDAERP C[NH+](C)Cc1ccc2c(c1)[C@H](C[NH3+])N(C1CCC(O)CC1)C2 ZINC000071683824 191007119 /nfs/dbraw/zinc/00/71/19/191007119.db2.gz PSPJBCSGLKHRED-HTWSVDAQSA-N 2 0 303.450 1.867 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171897475 198003635 /nfs/dbraw/zinc/00/36/35/198003635.db2.gz PWOKUKGBKMNSNI-SJORKVTESA-N 2 0 316.449 1.779 10 0 DDAERP C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180492003 199166003 /nfs/dbraw/zinc/16/60/03/199166003.db2.gz TZCHMRFFBRDQSZ-MAUKXSAKSA-N 2 0 321.465 1.608 10 0 DDAERP CCC[N@H+]([C@@H]1CCC[C@@H]1S(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000091851606 193117712 /nfs/dbraw/zinc/11/77/12/193117712.db2.gz JATFZXPTGJFCEM-CVSAEHQPSA-N 2 0 302.484 1.934 10 0 DDAERP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)NS(C)(=O)=O ZINC000093491608 193260279 /nfs/dbraw/zinc/26/02/79/193260279.db2.gz MPJHAFQACLBMJW-MELADBBJSA-N 2 0 317.499 1.215 10 0 DDAERP C[NH2+][C@H](C)C1CC[NH+]([C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094634003 193385659 /nfs/dbraw/zinc/38/56/59/193385659.db2.gz QZZKYAIUQLHYPC-SNPRPXQTSA-N 2 0 302.484 1.662 10 0 DDAERP CC(C)CN(CC[NH+](C)C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000042781310 183308634 /nfs/dbraw/zinc/30/86/34/183308634.db2.gz GCMHSQBVQOPSLO-UHFFFAOYSA-N 2 0 319.515 1.226 10 0 DDAERP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000043412204 183360718 /nfs/dbraw/zinc/36/07/18/183360718.db2.gz NRHNZMGJRYLVQL-LBPRGKRZSA-N 2 0 313.467 1.586 10 0 DDAERP CCC[NH+]1CCC(NS(=O)(=O)c2ccccc2C[NH3+])CC1 ZINC000049558123 183741705 /nfs/dbraw/zinc/74/17/05/183741705.db2.gz QVIBKOJHEJHXCO-UHFFFAOYSA-N 2 0 311.451 1.298 10 0 DDAERP CC[NH2+][C@H](C)CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000061272768 184167243 /nfs/dbraw/zinc/16/72/43/184167243.db2.gz YUOJXFFPCIQIGM-OAHLLOKOSA-N 3 0 300.491 1.107 10 0 DDAERP CC[C@@H]([NH3+])[C@@H](c1cccs1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642429 184180431 /nfs/dbraw/zinc/18/04/31/184180431.db2.gz CLEZIJBKLVPKJT-ZBFHGGJFSA-N 2 0 310.511 1.706 10 0 DDAERP C[N@H+]1[C@@H]2CC[NH+](C3CCOCC3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC000248029440 257110167 /nfs/dbraw/zinc/11/01/67/257110167.db2.gz KSIWDESANQPGGO-BHYGNILZSA-N 2 0 304.438 1.457 10 0 DDAERP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000236863857 286061489 /nfs/dbraw/zinc/06/14/89/286061489.db2.gz FJUYKSZGKVTWQL-JJXSEGSLSA-N 2 0 311.470 1.367 10 0 DDAERP COc1ccc([C@@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000263335062 286357326 /nfs/dbraw/zinc/35/73/26/286357326.db2.gz VZVSENZSTCUYCV-QGZVFWFLSA-N 2 0 317.433 1.558 10 0 DDAERP O=C(CC[N@@H+]1CCCC[C@H]1c1nccs1)N1CC[NH2+]CC1 ZINC000262038273 407720110 /nfs/dbraw/zinc/72/01/10/407720110.db2.gz HLSZAOPWSIKWGA-ZDUSSCGKSA-N 2 0 308.451 1.492 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262210540 407765775 /nfs/dbraw/zinc/76/57/75/407765775.db2.gz DXFZWFQOFOUGSW-BBRMVZONSA-N 2 0 305.422 1.831 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000173963422 407908468 /nfs/dbraw/zinc/90/84/68/407908468.db2.gz STDNYWBNFQFLSY-ZMSDIMECSA-N 2 0 320.481 1.739 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000245659674 408039615 /nfs/dbraw/zinc/03/96/15/408039615.db2.gz CZGCHIMLUDHCJG-ZACQAIPSSA-N 2 0 322.497 1.987 10 0 DDAERP CC1CC[NH+]([C@@H](CNC(=O)C2C[NH2+]C2)c2ccccc2)CC1 ZINC000263282621 408090995 /nfs/dbraw/zinc/09/09/95/408090995.db2.gz JZLWCASJJGALTI-KRWDZBQOSA-N 2 0 301.434 1.795 10 0 DDAERP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263206538 408055884 /nfs/dbraw/zinc/05/58/84/408055884.db2.gz JTWPETGEIRFHKM-QKCSRTOESA-N 2 0 302.340 1.806 10 0 DDAERP O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175762238 408198477 /nfs/dbraw/zinc/19/84/77/408198477.db2.gz BAVFTCVSWWUVDX-OALUTQOASA-N 2 0 318.461 1.982 10 0 DDAERP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000262537043 163845065 /nfs/dbraw/zinc/84/50/65/163845065.db2.gz MROFSGOJDHFHGY-LBPRGKRZSA-N 2 0 305.426 1.334 10 0 DDAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000389834037 418750868 /nfs/dbraw/zinc/75/08/68/418750868.db2.gz CGYOHVNLVDPWDQ-SRABZTEZSA-N 2 0 301.434 1.479 10 0 DDAERP Cn1ccnc1C[N@H+](CC[C@H]1CCOC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261811356 698439100 /nfs/dbraw/zinc/43/91/00/698439100.db2.gz HRUWVWIIDUEQBT-HOTGVXAUSA-N 2 0 318.465 1.791 10 0 DDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000262741809 698479643 /nfs/dbraw/zinc/47/96/43/698479643.db2.gz DTUWAOQGSZGSHE-TVQRCGJNSA-N 2 0 302.382 1.242 10 0 DDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cn(C)nc3C)C2)[C@H]1C(C)C ZINC000888097742 709212869 /nfs/dbraw/zinc/21/28/69/709212869.db2.gz NSTSURPEHZFDBH-BRSBDYLESA-N 2 0 320.481 1.688 10 0 DDAERP C[NH2+][C@](C)(CCCC[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435549 185250603 /nfs/dbraw/zinc/25/06/03/185250603.db2.gz KIRPCLONXKARAY-CYBMUJFWSA-N 2 0 309.376 1.894 10 0 DDAERP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000248638791 539272406 /nfs/dbraw/zinc/27/24/06/539272406.db2.gz YTMHMIKHYGAUIX-SYMSYNOKSA-N 2 0 300.443 1.317 10 0 DDAERP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000170834750 306683019 /nfs/dbraw/zinc/68/30/19/306683019.db2.gz AZXNLFBHRDVZDL-DLBZAZTESA-N 2 0 318.465 1.943 10 0 DDAERP C[NH+](C)C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091138018 193003904 /nfs/dbraw/zinc/00/39/04/193003904.db2.gz IAQDZWGGUOTZLJ-LSDHHAIUSA-N 2 0 307.463 1.501 10 0 DDAERP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])(SC)CC1 ZINC000091471519 193060903 /nfs/dbraw/zinc/06/09/03/193060903.db2.gz VBPSWWHLAXNATF-CYBMUJFWSA-N 2 0 301.500 1.838 10 0 DDAERP CCCCCNC(=O)[C@H](C)[NH+]1CCC(C[NH3+])(SC)CC1 ZINC000091471521 193060908 /nfs/dbraw/zinc/06/09/08/193060908.db2.gz VBPSWWHLAXNATF-ZDUSSCGKSA-N 2 0 301.500 1.838 10 0 DDAERP C[C@H]1C[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[NH2+]1 ZINC000262423426 203291392 /nfs/dbraw/zinc/29/13/92/203291392.db2.gz QTFKKNZVSWAHPG-ZFWWWQNUSA-N 2 0 320.437 1.026 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@H]1c1cccc(Br)c1 ZINC000093374721 193240991 /nfs/dbraw/zinc/24/09/91/193240991.db2.gz PYFWXUGKQAWNOM-LBPRGKRZSA-N 2 0 311.227 1.682 10 0 DDAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)CC1 ZINC000093520762 193262746 /nfs/dbraw/zinc/26/27/46/193262746.db2.gz DMNDFYLLGSJMSO-CYBMUJFWSA-N 2 0 304.500 1.910 10 0 DDAERP C[NH2+][C@@]1(CO)CCC[C@H]1CC[N@H+](CCCOC)CCOC ZINC000093617545 193275261 /nfs/dbraw/zinc/27/52/61/193275261.db2.gz WLSALFBZJQUZKX-JKSUJKDBSA-N 2 0 302.459 1.112 10 0 DDAERP CCC[NH+]1CCC([NH2+]C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093696638 193291729 /nfs/dbraw/zinc/29/17/29/193291729.db2.gz NUYVEGQJFVBRDP-CQSZACIVSA-N 2 0 317.499 1.122 10 0 DDAERP CC(C)([C@H]([NH3+])C[C@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCC1 ZINC000093700721 193294651 /nfs/dbraw/zinc/29/46/51/193294651.db2.gz DEUNCBYGWDBVBK-ZIAGYGMSSA-N 2 0 317.499 1.250 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000094645189 193390088 /nfs/dbraw/zinc/39/00/88/193390088.db2.gz SNDRXNAFIZCGPC-QKPAOTATSA-N 2 0 314.495 1.806 10 0 DDAERP NC(=[NH2+])NCc1ccc(/C=C\c2ccc(CNC(N)=[NH2+])cc2)cc1 ZINC000028650113 182533287 /nfs/dbraw/zinc/53/32/87/182533287.db2.gz BWMVKCCVRSMUHH-UPHRSURJSA-N 2 0 322.416 1.823 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C(N)=O)c2ccccc2)CC1 ZINC000105862442 194149799 /nfs/dbraw/zinc/14/97/99/194149799.db2.gz FQARZZRFLWBRHC-YOEHRIQHSA-N 2 0 319.449 1.238 10 0 DDAERP C[NH+](C)CCN1CCN([C@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000061642398 184180601 /nfs/dbraw/zinc/18/06/01/184180601.db2.gz KGHJAENPGTXDGQ-MRXNPFEDSA-N 2 0 310.873 1.519 10 0 DDAERP O=C(C[NH2+]C1CC1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000568354242 304287146 /nfs/dbraw/zinc/28/71/46/304287146.db2.gz DXUDVNDBXWLSLE-CYBMUJFWSA-N 2 0 320.462 1.366 10 0 DDAERP CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCC2 ZINC000262218098 286246375 /nfs/dbraw/zinc/24/63/75/286246375.db2.gz UHXSDXUAJBRLOV-HZPDHXFCSA-N 2 0 323.481 1.478 10 0 DDAERP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000170855562 407531181 /nfs/dbraw/zinc/53/11/81/407531181.db2.gz QEVDNJCWDTVNNH-IAGOWNOFSA-N 2 0 301.434 1.814 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1cccs1 ZINC000170862490 407533825 /nfs/dbraw/zinc/53/38/25/407533825.db2.gz PYXUYKLSXYWWRK-CHWSQXEVSA-N 2 0 310.467 1.696 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCn1ccnc1 ZINC000178930021 407660554 /nfs/dbraw/zinc/66/05/54/407660554.db2.gz PUNGRLNKIDZIJW-OAHLLOKOSA-N 2 0 307.442 1.693 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@H]2CC)C1 ZINC000246476784 408266697 /nfs/dbraw/zinc/26/66/97/408266697.db2.gz VOYZMEJATMSQQK-BRWVUGGUSA-N 2 0 322.497 1.987 10 0 DDAERP O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175762213 408198197 /nfs/dbraw/zinc/19/81/97/408198197.db2.gz BAVFTCVSWWUVDX-MOPGFXCFSA-N 2 0 318.461 1.982 10 0 DDAERP CSCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000171631019 162231162 /nfs/dbraw/zinc/23/11/62/162231162.db2.gz LQUSLALWRVZYKX-HNNXBMFYSA-N 2 0 301.500 1.076 10 0 DDAERP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[Si](C)(C)C)CC2)C1 ZINC000171746244 162239772 /nfs/dbraw/zinc/23/97/72/162239772.db2.gz PIBTYOYTWNEMTF-INIZCTEOSA-N 2 0 313.562 1.591 10 0 DDAERP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246987611 408381757 /nfs/dbraw/zinc/38/17/57/408381757.db2.gz AUNBRDCGIUKTKT-LSDHHAIUSA-N 2 0 313.486 1.172 10 0 DDAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000247505475 408484224 /nfs/dbraw/zinc/48/42/24/408484224.db2.gz VJLOKSKFFDCBMB-NCOADZHNSA-N 2 0 322.497 1.985 10 0 DDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000192735940 408641007 /nfs/dbraw/zinc/64/10/07/408641007.db2.gz QUWKWPARGXUFIQ-KRWDZBQOSA-N 2 0 320.485 1.331 10 0 DDAERP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000163886112 408793354 /nfs/dbraw/zinc/79/33/54/408793354.db2.gz YCIUJOLTPGNTRV-KBPBESRZSA-N 2 0 319.453 1.996 10 0 DDAERP C[NH+](C)CC1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000185165674 408773300 /nfs/dbraw/zinc/77/33/00/408773300.db2.gz MYFGZVSKLQINQN-OAHLLOKOSA-N 2 0 308.470 1.598 10 0 DDAERP C[N@@H+]1CCN(c2ncnc3c2CC[NH2+]C3)C[C@H]1c1ccccc1 ZINC000244795659 222213431 /nfs/dbraw/zinc/21/34/31/222213431.db2.gz RLEZHRPHVVTDLT-KRWDZBQOSA-N 2 0 309.417 1.615 10 0 DDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000312008711 418591982 /nfs/dbraw/zinc/59/19/82/418591982.db2.gz IIMPYBXROSBYMN-IAGOWNOFSA-N 2 0 319.449 1.377 10 0 DDAERP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000645786908 423187623 /nfs/dbraw/zinc/18/76/23/423187623.db2.gz JEBXMDKHDCQCST-YESZJQIVSA-N 2 0 319.424 1.715 10 0 DDAERP CC[NH+](CC)CCSCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263178834 279113399 /nfs/dbraw/zinc/11/33/99/279113399.db2.gz GLBHIBMCPBZOST-LBPRGKRZSA-N 2 0 313.471 1.221 10 0 DDAERP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)N1CCOCC1 ZINC000129615671 281351168 /nfs/dbraw/zinc/35/11/68/281351168.db2.gz OQADCFUXFKTOSJ-CQSZACIVSA-N 2 0 305.422 1.199 10 0 DDAERP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)([NH+](C)C)C1 ZINC000171903771 298238851 /nfs/dbraw/zinc/23/88/51/298238851.db2.gz BIEIEJBYJYQVOW-JFIYKMOQSA-N 2 0 322.497 1.987 10 0 DDAERP Cc1ccc([C@H](CNC(=O)C2([NH3+])CCOCC2)[NH+]2CCCC2)o1 ZINC000261809666 698438884 /nfs/dbraw/zinc/43/88/84/698438884.db2.gz JJQMOPKWEGKMMH-AWEZNQCLSA-N 2 0 321.421 1.349 10 0 DDAERP CC1CC[NH+](CCCCNC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000262121038 698455331 /nfs/dbraw/zinc/45/53/31/698455331.db2.gz WGFFQLFQYNPXOJ-MRXNPFEDSA-N 2 0 311.470 1.369 10 0 DDAERP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C[NH2+]C)o2)C1 ZINC000088550746 185257369 /nfs/dbraw/zinc/25/73/69/185257369.db2.gz ZDXNMPHHQKNJOA-LBPRGKRZSA-N 2 0 315.439 1.104 10 0 DDAERP CC(C)[NH+]1CCN([C@@H]2C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000536959447 354692787 /nfs/dbraw/zinc/69/27/87/354692787.db2.gz KJKDVIBNHDWEAB-CABCVRRESA-N 2 0 311.470 1.332 10 0 DDAERP CCC[NH2+]C1CCC([N@H+](C)CC(=O)NCC(F)(F)F)CC1 ZINC000091870188 193121033 /nfs/dbraw/zinc/12/10/33/193121033.db2.gz SZUKOHZGNJURMU-UHFFFAOYSA-N 2 0 309.376 1.908 10 0 DDAERP C[NH2+][C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cnn(C)c1 ZINC000262419848 203289568 /nfs/dbraw/zinc/28/95/68/203289568.db2.gz RPFVSKCHJUVBFQ-CABCVRRESA-N 2 0 307.442 1.013 10 0 DDAERP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000093523227 193262742 /nfs/dbraw/zinc/26/27/42/193262742.db2.gz PNVWRUGGVMZTTN-UHFFFAOYSA-N 2 0 311.451 1.463 10 0 DDAERP CCC[N@H+](CCCC[C@](C)([NH3+])C(=O)OCC)CCN(C)C ZINC000041675136 183215261 /nfs/dbraw/zinc/21/52/61/183215261.db2.gz ITUABUNQUQKWFC-INIZCTEOSA-N 2 0 301.475 1.711 10 0 DDAERP C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000043412206 183361170 /nfs/dbraw/zinc/36/11/70/183361170.db2.gz NRHNZMGJRYLVQL-GFCCVEGCSA-N 2 0 313.467 1.586 10 0 DDAERP CC[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642318 184180440 /nfs/dbraw/zinc/18/04/40/184180440.db2.gz RVQSQQVMOIDKHC-HZPDHXFCSA-N 2 0 310.511 1.706 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3c2OCO3)CC1 ZINC000121097763 195293487 /nfs/dbraw/zinc/29/34/87/195293487.db2.gz WNOBIFPULHJBKT-AWEZNQCLSA-N 2 0 320.433 1.940 10 0 DDAERP CN(CC1CC[NH+](C)CC1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106917622 407367436 /nfs/dbraw/zinc/36/74/36/407367436.db2.gz FMVJYKMCPNCUDH-SFHVURJKSA-N 2 0 317.477 1.960 10 0 DDAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000111816754 407416991 /nfs/dbraw/zinc/41/69/91/407416991.db2.gz PAJUKQIRHMFJSS-LSDHHAIUSA-N 2 0 314.474 1.127 10 0 DDAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261603832 407547997 /nfs/dbraw/zinc/54/79/97/407547997.db2.gz AIAFHTIZRWUJBB-HNNXBMFYSA-N 2 0 311.470 1.321 10 0 DDAERP c1c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)nc2ccccn12 ZINC000261910031 407667111 /nfs/dbraw/zinc/66/71/11/407667111.db2.gz IVJXJCIOLRFJGR-BRWVUGGUSA-N 2 0 314.433 1.624 10 0 DDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262022391 407715388 /nfs/dbraw/zinc/71/53/88/407715388.db2.gz OWQDAAZBSCVWMG-KNCOVGOOSA-N 2 0 311.470 1.223 10 0 DDAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261911218 407665232 /nfs/dbraw/zinc/66/52/32/407665232.db2.gz JAGOYGIXBMJWNN-RZFLPCETSA-N 2 0 309.498 1.996 10 0 DDAERP COC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000262180089 407760168 /nfs/dbraw/zinc/76/01/68/407760168.db2.gz BMRCWCCEWFPCJK-KRWDZBQOSA-N 2 0 319.449 1.508 10 0 DDAERP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237187896 407805058 /nfs/dbraw/zinc/80/50/58/407805058.db2.gz TVGFEEMZYYCKGT-GOEBONIOSA-N 2 0 319.449 1.761 10 0 DDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000245395124 407956957 /nfs/dbraw/zinc/95/69/57/407956957.db2.gz HAZJIWOHUKCFRG-LSDHHAIUSA-N 2 0 300.491 1.992 10 0 DDAERP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000190137273 408173795 /nfs/dbraw/zinc/17/37/95/408173795.db2.gz OGXKCMGALDPOFE-MRXNPFEDSA-N 2 0 310.486 1.988 10 0 DDAERP C[NH+](C)Cc1cccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000156562866 408261876 /nfs/dbraw/zinc/26/18/76/408261876.db2.gz KEFUSSDTYDIEPR-INIZCTEOSA-N 2 0 305.422 1.151 10 0 DDAERP CC(C)[N@H+]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000177319079 408580440 /nfs/dbraw/zinc/58/04/40/408580440.db2.gz LNOKIVMUHVCEDA-HOTGVXAUSA-N 2 0 310.486 1.890 10 0 DDAERP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263229801 163934989 /nfs/dbraw/zinc/93/49/89/163934989.db2.gz NFQKWLQCUACENJ-UNEWFSDZSA-N 2 0 319.449 1.697 10 0 DDAERP CC(C)(C)OC(=O)Nc1ccc([C@H]2C[NH2+]CCN2CC[NH3+])cc1 ZINC000616602772 422515643 /nfs/dbraw/zinc/51/56/43/422515643.db2.gz BMSYELHTOACFEM-OAHLLOKOSA-N 2 0 320.437 1.939 10 0 DDAERP C[C@H]([NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000665283250 424774310 /nfs/dbraw/zinc/77/43/10/424774310.db2.gz JZFBWQQSJRZNFU-UHOSZYNNSA-N 2 0 316.493 1.390 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171042985 279125447 /nfs/dbraw/zinc/12/54/47/279125447.db2.gz LYYOAOXMYINDHP-HZPDHXFCSA-N 2 0 310.486 1.842 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CC(C)C ZINC000128293752 281306260 /nfs/dbraw/zinc/30/62/60/281306260.db2.gz SGCLXXQPKMEMKJ-HZPDHXFCSA-N 2 0 310.486 1.890 10 0 DDAERP COCCN1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000168033018 298217959 /nfs/dbraw/zinc/21/79/59/298217959.db2.gz RSWJEAGFAFKMOV-YOEHRIQHSA-N 2 0 317.433 1.053 10 0 DDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000247470885 300319261 /nfs/dbraw/zinc/31/92/61/300319261.db2.gz RQMFXRXIPSKQQO-HOCLYGCPSA-N 2 0 308.470 1.596 10 0 DDAERP O[C@@]1(CN[C@@H]2CCC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000422975471 534421176 /nfs/dbraw/zinc/42/11/76/534421176.db2.gz GVAKHYMHXOCEAV-QZTJIDSGSA-N 2 0 303.450 1.355 10 0 DDAERP C[NH+](C)C(C)(C)COc1nc(NN)[nH+]cc1Br ZINC000087892083 185234974 /nfs/dbraw/zinc/23/49/74/185234974.db2.gz CVZKMOQIGWULJH-UHFFFAOYSA-N 2 0 304.192 1.244 10 0 DDAERP CC[N@@H+]1CC[C@H](CNc2nc(NN)[nH+]cc2Br)C1 ZINC000087854744 185233528 /nfs/dbraw/zinc/23/35/28/185233528.db2.gz UORFQFQLBNCGPF-MRVPVSSYSA-N 2 0 315.219 1.278 10 0 DDAERP C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(C[NH2+]C2CC2)o1 ZINC000088543191 185256102 /nfs/dbraw/zinc/25/61/02/185256102.db2.gz BARNQPZIQIHBST-NSHDSACASA-N 2 0 315.439 1.150 10 0 DDAERP C[NH+](C)CCN1CC[NH+](C[C@H]2Cc3ccccc3S2)CC1 ZINC000092663020 185332469 /nfs/dbraw/zinc/33/24/69/185332469.db2.gz XHXPUPMRERLAIN-MRXNPFEDSA-N 2 0 305.491 1.883 10 0 DDAERP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000092626614 185329669 /nfs/dbraw/zinc/32/96/69/185329669.db2.gz CGIWGGWOHBSYGN-HNNXBMFYSA-N 2 0 311.451 1.001 10 0 DDAERP CN(C(=O)C1([NH3+])CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000390810994 539511000 /nfs/dbraw/zinc/51/10/00/539511000.db2.gz USCLDQLVMFGGAO-MRXNPFEDSA-N 2 0 317.433 1.227 10 0 DDAERP C[N@@H+]1CCC[C@](C[NH3+])(N2CCN(c3nccs3)CC2)CC1 ZINC000086819249 192601665 /nfs/dbraw/zinc/60/16/65/192601665.db2.gz QIAGVAKLAYBYDH-HNNXBMFYSA-N 2 0 309.483 1.078 10 0 DDAERP C[NH2+]Cc1c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc2sccn12 ZINC000092002214 193139413 /nfs/dbraw/zinc/13/94/13/193139413.db2.gz HGWWTYWUBRKARK-NEPJUHHUSA-N 2 0 305.451 1.788 10 0 DDAERP CC[NH2+]CC1CC[NH+]([C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094644243 193389707 /nfs/dbraw/zinc/38/97/07/193389707.db2.gz LIEMRTQPFOCWCX-HUUCEWRRSA-N 2 0 302.484 1.664 10 0 DDAERP [NH3+]C1CCC([NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000310017387 248838079 /nfs/dbraw/zinc/83/80/79/248838079.db2.gz OVSMFRHWTABSAK-UHFFFAOYSA-N 2 0 303.406 1.867 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+](C)C1CCCC1 ZINC000177490398 285235416 /nfs/dbraw/zinc/23/54/16/285235416.db2.gz YAKZVVDFZFQUPJ-MRXNPFEDSA-N 2 0 310.486 1.987 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000170832463 407520784 /nfs/dbraw/zinc/52/07/84/407520784.db2.gz QKEWURBKNRSIHM-HOTGVXAUSA-N 2 0 322.428 1.774 10 0 DDAERP CNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261890290 407656649 /nfs/dbraw/zinc/65/66/49/407656649.db2.gz GKODMTUGBXNOTQ-BRWVUGGUSA-N 2 0 317.433 1.293 10 0 DDAERP CC(C)c1nc(CN(C)[C@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000261962623 407691645 /nfs/dbraw/zinc/69/16/45/407691645.db2.gz PKORBGQYZPUUSS-GJZGRUSLSA-N 2 0 321.469 1.699 10 0 DDAERP [NH3+]C1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CCOCC1 ZINC000262030694 407717703 /nfs/dbraw/zinc/71/77/03/407717703.db2.gz JUTQLRVVKHNBRB-UHFFFAOYSA-N 2 0 310.423 1.057 10 0 DDAERP CC(C)N1CC[C@@H]([N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)C1=O ZINC000175191394 408074824 /nfs/dbraw/zinc/07/48/24/408074824.db2.gz XFOVWNJCAZNSBS-GDBMZVCRSA-N 2 0 311.470 1.020 10 0 DDAERP COc1cccc([C@@H](CNC(=O)C2C[NH2+]C2)[NH+]2CCCC2)c1 ZINC000263335652 408111129 /nfs/dbraw/zinc/11/11/29/408111129.db2.gz WEIMWBGTVKYPRM-MRXNPFEDSA-N 2 0 303.406 1.168 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000246189449 408169182 /nfs/dbraw/zinc/16/91/82/408169182.db2.gz MJJLYYQDSHIUFK-SJORKVTESA-N 2 0 322.497 1.987 10 0 DDAERP c1cnnc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000246278148 408200834 /nfs/dbraw/zinc/20/08/34/408200834.db2.gz BGZLWJFMASFQOQ-HRCADAONSA-N 2 0 301.438 1.662 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000176170289 408300345 /nfs/dbraw/zinc/30/03/45/408300345.db2.gz OCQIRLQLDHVUEE-INIZCTEOSA-N 2 0 310.486 1.988 10 0 DDAERP C[C@@H]1CCCN(c2cc(N3CCO[C@H](C[NH+](C)C)C3)ncn2)C1 ZINC000170999898 162201807 /nfs/dbraw/zinc/20/18/07/162201807.db2.gz YGNODQGVYVNSIL-HUUCEWRRSA-N 2 0 319.453 1.480 10 0 DDAERP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171906032 162245653 /nfs/dbraw/zinc/24/56/53/162245653.db2.gz KDQFAPWHGPJVSA-MRXNPFEDSA-N 2 0 308.470 1.741 10 0 DDAERP C(CCN1CC[N@@H+]2CCC[C@@H]2C1)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000172656220 162291910 /nfs/dbraw/zinc/29/19/10/162291910.db2.gz ILZOATBZKXFVPR-QZTJIDSGSA-N 2 0 306.498 1.327 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000247511998 408482942 /nfs/dbraw/zinc/48/29/42/408482942.db2.gz PWOKUKGBKMNSNI-IRXDYDNUSA-N 2 0 316.449 1.779 10 0 DDAERP O[C@H](C[NH2+]CCCc1ccc2c(c1)CCO2)C[NH+]1CCCCC1 ZINC000193276158 408707941 /nfs/dbraw/zinc/70/79/41/408707941.db2.gz FWGCFNSFMBDLBY-GOSISDBHSA-N 2 0 318.461 1.991 10 0 DDAERP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309571649 418590149 /nfs/dbraw/zinc/59/01/49/418590149.db2.gz GPYHHOLXVJQWBS-ULQDDVLXSA-N 2 0 301.434 1.752 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000105862510 274267718 /nfs/dbraw/zinc/26/77/18/274267718.db2.gz VXLVFUWLXZMODB-VQIMIIECSA-N 2 0 320.477 1.615 10 0 DDAERP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000246855442 297095864 /nfs/dbraw/zinc/09/58/64/297095864.db2.gz DIECJDIZAONFQZ-NCXUSEDFSA-N 2 0 320.525 1.714 10 0 DDAERP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400479286 302369815 /nfs/dbraw/zinc/36/98/15/302369815.db2.gz VUFDNEPJEVQYGD-QXAKKESOSA-N 2 0 317.477 1.865 10 0 DDAERP O[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390851195 483981241 /nfs/dbraw/zinc/98/12/41/483981241.db2.gz IIKZHCAAUDAQLL-OOHRUWKFSA-N 2 0 302.418 1.531 10 0 DDAERP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1)C(C)C ZINC000262202568 484264990 /nfs/dbraw/zinc/26/49/90/484264990.db2.gz IFZRMKRXOXUVJT-IRXDYDNUSA-N 2 0 319.449 1.227 10 0 DDAERP C[C@@]1(C(=O)N2CCN(Cc3cccs3)CC2)CCCC[NH2+]1 ZINC000136195415 696853171 /nfs/dbraw/zinc/85/31/71/696853171.db2.gz GLZIARAUUNOHKW-INIZCTEOSA-N 2 0 307.463 1.925 10 0 DDAERP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]CC3=CCCOC3)C2)[C@H]1C(C)C ZINC000888097822 709212611 /nfs/dbraw/zinc/21/26/11/709212611.db2.gz QAGRBXKKHKPNSA-BRSBDYLESA-N 2 0 308.466 1.793 10 0 DDAERP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC000248645230 282095669 /nfs/dbraw/zinc/09/56/69/282095669.db2.gz GBELWMHRGKISGN-KGLIPLIRSA-N 2 0 322.478 1.436 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccccc1C[NH3+] ZINC000092626699 185329983 /nfs/dbraw/zinc/32/99/83/185329983.db2.gz IMQLXXYJMWHYPU-AWEZNQCLSA-N 2 0 311.451 1.250 10 0 DDAERP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000092633781 185330336 /nfs/dbraw/zinc/33/03/36/185330336.db2.gz NDQRZPGNYVMYDY-OCCSQVGLSA-N 2 0 311.451 1.421 10 0 DDAERP C[NH2+]Cc1cccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000092679657 185333578 /nfs/dbraw/zinc/33/35/78/185333578.db2.gz YHWDDHVIUAGPJU-AWEZNQCLSA-N 2 0 311.451 1.121 10 0 DDAERP Cc1ccc2c(c1)[C@H](C[NH3+])N(CCCC[NH+]1CCN(C)CC1)C2 ZINC000071683012 191006740 /nfs/dbraw/zinc/00/67/40/191006740.db2.gz MNWDVVBZJQLKBS-IBGZPJMESA-N 2 0 316.493 1.838 10 0 DDAERP CO[C@@H]1C[NH2+][C@@H](c2nc(CCC[NH+]3CCC(C)CC3)no2)C1 ZINC000328629981 354552036 /nfs/dbraw/zinc/55/20/36/354552036.db2.gz IWQRDXOAEUJIJX-UONOGXRCSA-N 2 0 308.426 1.784 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3nccn32)CC1 ZINC000180093911 199116792 /nfs/dbraw/zinc/11/67/92/199116792.db2.gz MEQDGSNISVNTMM-HNNXBMFYSA-N 2 0 316.449 1.859 10 0 DDAERP [NH3+][C@H]1CC[C@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000237891926 202380354 /nfs/dbraw/zinc/38/03/54/202380354.db2.gz MMYXCELUZVWDKL-HOTGVXAUSA-N 2 0 323.481 1.513 10 0 DDAERP CCC[NH2+][C@]1(CO)CCC[C@@H]([NH+](CCOC)CCOC)C1 ZINC000093783325 193307894 /nfs/dbraw/zinc/30/78/94/193307894.db2.gz HFPCORNFHJCEEW-HZPDHXFCSA-N 2 0 302.459 1.255 10 0 DDAERP [NH3+]CCCOC1CC[NH+]([C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094384853 193368099 /nfs/dbraw/zinc/36/80/99/193368099.db2.gz HRMXMKSEEREQMF-ZBFHGGJFSA-N 2 0 314.495 1.871 10 0 DDAERP C(c1[nH]nc2c1CCC2)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000020119615 182189386 /nfs/dbraw/zinc/18/93/86/182189386.db2.gz SKIVYQWIUHIXOW-UHFFFAOYSA-N 2 0 304.438 1.443 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C[NH2+]C)cc1 ZINC000041682070 183217129 /nfs/dbraw/zinc/21/71/29/183217129.db2.gz XPZWNEYHERERMU-UHFFFAOYSA-N 2 0 313.467 1.368 10 0 DDAERP C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCN(CCO)CC1 ZINC000043252746 183346909 /nfs/dbraw/zinc/34/69/09/183346909.db2.gz IZERDAMDKMZTAD-GXFFZTMASA-N 2 0 303.859 1.400 10 0 DDAERP CCC[NH2+][C@@](C)(CCCC[N@H+](CC)CCOCC)C(N)=O ZINC000111122198 194393315 /nfs/dbraw/zinc/39/33/15/194393315.db2.gz JYVDOXWLOTWUMT-INIZCTEOSA-N 2 0 301.475 1.759 10 0 DDAERP CCc1nc(N2CCN(CC[NH+](C)C)CC2)sc1C[NH2+]C ZINC000061655621 184181428 /nfs/dbraw/zinc/18/14/28/184181428.db2.gz SZHBIVVYBADZGO-UHFFFAOYSA-N 2 0 311.499 1.109 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000245927552 285265976 /nfs/dbraw/zinc/26/59/76/285265976.db2.gz HVMFJKAPXRHUPR-HRCADAONSA-N 2 0 308.470 1.596 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000178732225 407570325 /nfs/dbraw/zinc/57/03/25/407570325.db2.gz HTCZBGVGHHFKFO-IAGOWNOFSA-N 2 0 322.497 1.844 10 0 DDAERP [NH3+]C[C@@H]1C[N@H+](Cc2cnc3cnccn23)C[C@H]1c1ccccc1 ZINC000261601113 407548883 /nfs/dbraw/zinc/54/88/83/407548883.db2.gz AAXXJRXWMHZOBR-WBVHZDCISA-N 2 0 307.401 1.904 10 0 DDAERP COc1ccc([C@H](C)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262063774 407729818 /nfs/dbraw/zinc/72/98/18/407729818.db2.gz AOWLUYLOTVALOX-WBVHZDCISA-N 2 0 303.450 1.778 10 0 DDAERP C[NH+](C)[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000262319713 407797467 /nfs/dbraw/zinc/79/74/67/407797467.db2.gz QVJVWZQETPAZKI-HNNXBMFYSA-N 2 0 305.422 1.161 10 0 DDAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@](C)(O)c1ccccc1 ZINC000119289294 408033072 /nfs/dbraw/zinc/03/30/72/408033072.db2.gz VETTZAAWRPUETD-GOSISDBHSA-N 2 0 305.466 1.463 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000176374437 408351736 /nfs/dbraw/zinc/35/17/36/408351736.db2.gz TWFIUXVNLVXRCN-AWEZNQCLSA-N 2 0 322.457 1.393 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)C1 ZINC000247335142 408452249 /nfs/dbraw/zinc/45/22/49/408452249.db2.gz NELNKNDFVCXFHC-ZACQAIPSSA-N 2 0 324.513 1.992 10 0 DDAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000177839399 408726331 /nfs/dbraw/zinc/72/63/31/408726331.db2.gz PSGLIMHEUBSNLC-ZWKOTPCHSA-N 2 0 306.450 1.838 10 0 DDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000192742182 163235818 /nfs/dbraw/zinc/23/58/18/163235818.db2.gz PEIBSWVYNIWNIW-KRWDZBQOSA-N 2 0 319.497 1.626 10 0 DDAERP CC[NH+](CC)CCOc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000263229445 163935026 /nfs/dbraw/zinc/93/50/26/163935026.db2.gz AQEBPERWHFTJRY-UHFFFAOYSA-N 2 0 305.422 1.243 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000245659669 287220507 /nfs/dbraw/zinc/22/05/07/287220507.db2.gz CZGCHIMLUDHCJG-GVDBMIGSSA-N 2 0 322.497 1.987 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)C1 ZINC000638079929 422642073 /nfs/dbraw/zinc/64/20/73/422642073.db2.gz JVUMKKDAVPZIOW-BHYGNILZSA-N 2 0 319.449 1.520 10 0 DDAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261898001 276148890 /nfs/dbraw/zinc/14/88/90/276148890.db2.gz HIRITJWGSZBRNU-RCCFBDPRSA-N 2 0 309.498 1.855 10 0 DDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000247196548 276363314 /nfs/dbraw/zinc/36/33/14/276363314.db2.gz LLEULJFVTDRIJZ-BZUAXINKSA-N 2 0 308.470 1.739 10 0 DDAERP C[C@@H](CNC(=O)C1([NH3+])CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000261670859 278269542 /nfs/dbraw/zinc/26/95/42/278269542.db2.gz BVYKZSUJKSRFJR-AWEZNQCLSA-N 2 0 317.433 1.057 10 0 DDAERP CC1(C)CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[C@@H]1[NH3+] ZINC000261851775 278323486 /nfs/dbraw/zinc/32/34/86/278323486.db2.gz MMZZNXZWKOQYSQ-INIZCTEOSA-N 2 0 301.434 1.574 10 0 DDAERP C[C@H](C(N)=O)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862787 289393023 /nfs/dbraw/zinc/39/30/23/289393023.db2.gz KCSSXSBDFACZTI-PBHICJAKSA-N 2 0 319.449 1.238 10 0 DDAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1C[NH2+]C1 ZINC000263330360 290392897 /nfs/dbraw/zinc/39/28/97/290392897.db2.gz UUHVVALFPKROPH-AWEZNQCLSA-N 2 0 301.434 1.897 10 0 DDAERP CC[NH+]1CCN([C@@H](CN2CC[NH2+]CC2)c2ccc(F)cc2)CC1 ZINC000038275057 337381907 /nfs/dbraw/zinc/38/19/07/337381907.db2.gz CSVFMVXPRUEGJT-SFHVURJKSA-N 2 0 320.456 1.410 10 0 DDAERP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261739170 484255840 /nfs/dbraw/zinc/25/58/40/484255840.db2.gz LQSSPKWSDLEOFY-CZUORRHYSA-N 2 0 305.422 1.941 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000248845964 698381735 /nfs/dbraw/zinc/38/17/35/698381735.db2.gz NDKYQKQEOKZLSS-GDBMZVCRSA-N 2 0 324.465 1.497 10 0 DDAERP COCc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)o1 ZINC000888097609 709212569 /nfs/dbraw/zinc/21/25/69/709212569.db2.gz KWEYVNPOCKPKLU-TVFCKZIOSA-N 2 0 322.449 1.995 10 0 DDAERP C[C@@H](CNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1)[NH+](C)C ZINC000088542699 185256044 /nfs/dbraw/zinc/25/60/44/185256044.db2.gz ZQAYOOYJTQLLJY-NSHDSACASA-N 2 0 317.455 1.396 10 0 DDAERP C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C)[C@H]2CCCO2)COC1)[C@@H]1CCCO1 ZINC000248595922 539272289 /nfs/dbraw/zinc/27/22/89/539272289.db2.gz MKMWQWIEBUKLIU-SYMSYNOKSA-N 2 0 312.454 1.317 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCC[NH2+]C(C)C ZINC000092634038 185330235 /nfs/dbraw/zinc/33/02/35/185330235.db2.gz QGSSYDYLNCHZNV-CQSZACIVSA-N 2 0 305.488 1.120 10 0 DDAERP [NH3+][C@@H]1CCCN(c2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)C1 ZINC000072462651 191173369 /nfs/dbraw/zinc/17/33/69/191173369.db2.gz XYICFMURSPNBMI-CQSZACIVSA-N 2 0 324.432 1.154 10 0 DDAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000237083871 202148823 /nfs/dbraw/zinc/14/88/23/202148823.db2.gz JWLYLWKAIMHWAN-SWLSCSKDSA-N 2 0 308.426 1.012 10 0 DDAERP C[NH2+]Cc1cccc(CS(=O)(=O)N(C)CCC[NH+](C)C)c1 ZINC000089037495 192713122 /nfs/dbraw/zinc/71/31/22/192713122.db2.gz KTHWMNRUXSZRAS-UHFFFAOYSA-N 2 0 313.467 1.119 10 0 DDAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000261718901 283513954 /nfs/dbraw/zinc/51/39/54/283513954.db2.gz JVQVSVUOPSGKOC-NVXWUHKLSA-N 2 0 323.481 1.465 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C)o1 ZINC000091431041 193055483 /nfs/dbraw/zinc/05/54/83/193055483.db2.gz ZQXYGCAQRIVFKN-GFCCVEGCSA-N 2 0 315.439 1.022 10 0 DDAERP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000093463392 193255553 /nfs/dbraw/zinc/25/55/53/193255553.db2.gz JLVPTCGEVBXPSP-DYEKYZERSA-N 2 0 311.451 1.515 10 0 DDAERP C[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@H+](CCCOC)CCOC ZINC000093617543 193275308 /nfs/dbraw/zinc/27/53/08/193275308.db2.gz WLSALFBZJQUZKX-HZPDHXFCSA-N 2 0 302.459 1.112 10 0 DDAERP O=C(C[N@H+](CC1CC[NH2+]CC1)C1CC1)NCc1cccs1 ZINC000094026411 193339980 /nfs/dbraw/zinc/33/99/80/193339980.db2.gz CBWMMQNLWMQUTI-UHFFFAOYSA-N 2 0 307.463 1.828 10 0 DDAERP CS(=O)(=O)[C@H]1CCC[C@H]([NH+]2CCC(C[NH2+]C3CC3)CC2)C1 ZINC000094644254 193389665 /nfs/dbraw/zinc/38/96/65/193389665.db2.gz CNFAWMKCAPLORU-HOTGVXAUSA-N 2 0 314.495 1.806 10 0 DDAERP C[C@H]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000333543446 249018217 /nfs/dbraw/zinc/01/82/17/249018217.db2.gz JOEAFIGMTYCBFS-BBRMVZONSA-N 2 0 308.470 1.630 10 0 DDAERP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333746562 249090602 /nfs/dbraw/zinc/09/06/02/249090602.db2.gz YKDDGDYZHUTGEH-HNKHHVNMSA-N 2 0 302.422 1.263 10 0 DDAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061642337 184180217 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CCC[NH2+]CCCS(=O)(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000089034686 192708863 /nfs/dbraw/zinc/70/88/63/192708863.db2.gz MYTPUSWXRSSOBM-HNNXBMFYSA-N 2 0 317.499 1.266 10 0 DDAERP Cc1ccc(C[NH3+])cc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091391787 193050966 /nfs/dbraw/zinc/05/09/66/193050966.db2.gz KWOMIJXGIKGPGZ-AWEZNQCLSA-N 2 0 311.451 1.168 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@H](C)C(=O)NCCC(C)C)CC1 ZINC000091473685 193061756 /nfs/dbraw/zinc/06/17/56/193061756.db2.gz KEBFYHOKPGOYSK-CYBMUJFWSA-N 2 0 301.500 1.694 10 0 DDAERP [NH3+]C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc2ccccc2c1 ZINC000261611529 203079108 /nfs/dbraw/zinc/07/91/08/203079108.db2.gz BJKSHDPNXLTJGZ-ZACQAIPSSA-N 2 0 313.401 1.462 10 0 DDAERP Cc1csc(NC(=O)C[N@H+](CC2CC[NH2+]CC2)C2CC2)n1 ZINC000094042570 193340661 /nfs/dbraw/zinc/34/06/61/193340661.db2.gz UMMULOFYSTZETD-UHFFFAOYSA-N 2 0 308.451 1.854 10 0 DDAERP CC[C@H]([NH3+])c1cccc(S(=O)(=O)NCCCC[NH+](C)C)c1 ZINC000041681722 183215890 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DDAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](CC)C1CC1 ZINC000174577601 407966520 /nfs/dbraw/zinc/96/65/20/407966520.db2.gz RXTMQJRIHDGBFV-GDBMZVCRSA-N 2 0 308.470 1.739 10 0 DDAERP C[C@H]1CCCN(c2cc(N3CCO[C@H](C[NH+](C)C)C3)ncn2)C1 ZINC000170999899 162202135 /nfs/dbraw/zinc/20/21/35/162202135.db2.gz YGNODQGVYVNSIL-LSDHHAIUSA-N 2 0 319.453 1.480 10 0 DDAERP C[NH+](C)CCn1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000173920927 162377351 /nfs/dbraw/zinc/37/73/51/162377351.db2.gz UAOIMQSJVMEJLT-CQSZACIVSA-N 2 0 320.441 1.147 10 0 DDAERP CN(C[C@@H]1CC[N@H+](C)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634648811 422533147 /nfs/dbraw/zinc/53/31/47/422533147.db2.gz ZLGOOXONHCEBOY-MOPGFXCFSA-N 2 0 317.477 1.507 10 0 DDAERP COCc1noc([C@H](C)N2CCC[C@@H]2Cn2ccnc2C)n1 ZINC000181956800 263371825 /nfs/dbraw/zinc/37/18/25/263371825.db2.gz OSASXUANUTYMPF-WCQYABFASA-N 2 0 305.382 1.947 10 0 DDAERP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC2CC[NH2+]CC2)C1 ZINC000665285168 424774280 /nfs/dbraw/zinc/77/42/80/424774280.db2.gz FOOBDNPSRZSQRB-SFHVURJKSA-N 2 0 302.466 1.144 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000182441251 279318952 /nfs/dbraw/zinc/31/89/52/279318952.db2.gz HVMFJKAPXRHUPR-JYJNAYRXSA-N 2 0 308.470 1.596 10 0 DDAERP CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CC[N@@H+]1C[C@H](C)O ZINC000246507471 280385772 /nfs/dbraw/zinc/38/57/72/280385772.db2.gz QFQFPAKJEWILRN-XJKSGUPXSA-N 2 0 305.422 1.063 10 0 DDAERP COC[C@]1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000261551146 293272065 /nfs/dbraw/zinc/27/20/65/293272065.db2.gz QESUCFUKCULGQS-YJBOKZPZSA-N 2 0 319.449 1.249 10 0 DDAERP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC[NH2+]C1 ZINC000400479291 302369948 /nfs/dbraw/zinc/36/99/48/302369948.db2.gz VUFDNEPJEVQYGD-UHOSZYNNSA-N 2 0 317.477 1.865 10 0 DDAERP C[C@@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)N1CCc2ccccc2C1 ZINC000248900608 698383613 /nfs/dbraw/zinc/38/36/13/698383613.db2.gz YXTOAUFBSFABCA-ZQIUZPCESA-N 2 0 301.434 1.690 10 0 DDAERP COc1cccc([C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)[NH+](C)C)c1 ZINC000261815192 698439140 /nfs/dbraw/zinc/43/91/40/698439140.db2.gz XFLRAXMIGQOSJB-WQVCFCJDSA-N 2 0 305.422 1.270 10 0 DDAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000262741806 698479431 /nfs/dbraw/zinc/47/94/31/698479431.db2.gz DTUWAOQGSZGSHE-NOZJJQNGSA-N 2 0 302.382 1.242 10 0 DDAERP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COCc3ccccc3)C[C@@H]2C1 ZINC000309939265 698668682 /nfs/dbraw/zinc/66/86/82/698668682.db2.gz ZBNSFHNKFPNWPH-SQNIBIBYSA-N 2 0 304.434 1.448 10 0 DDAERP NC(=O)C1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716656131 699283309 /nfs/dbraw/zinc/28/33/09/699283309.db2.gz QWLYASTUHDJTPA-PUYXYEEKSA-N 2 0 313.445 1.893 10 0 DDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000113457653 282120963 /nfs/dbraw/zinc/12/09/63/282120963.db2.gz LSKAUAXFNOFIMJ-DLBZAZTESA-N 2 0 303.450 1.569 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)o1 ZINC000088544531 185257101 /nfs/dbraw/zinc/25/71/01/185257101.db2.gz MTHJLFXDHXKLPP-LBPRGKRZSA-N 2 0 315.439 1.104 10 0 DDAERP CCC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)o1 ZINC000088543188 185256527 /nfs/dbraw/zinc/25/65/27/185256527.db2.gz OLANCWUVOAPXFR-GFCCVEGCSA-N 2 0 317.455 1.398 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC000179706023 186207921 /nfs/dbraw/zinc/20/79/21/186207921.db2.gz UNLWNYQVBXRNLH-HNNXBMFYSA-N 2 0 303.450 1.965 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000156764654 354221396 /nfs/dbraw/zinc/22/13/96/354221396.db2.gz CABWLJXTJFZPSP-HZPDHXFCSA-N 2 0 312.502 1.944 10 0 DDAERP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000236923216 202073958 /nfs/dbraw/zinc/07/39/58/202073958.db2.gz QMWUFWBNGPBNSL-QWHCGFSZSA-N 2 0 305.426 1.606 10 0 DDAERP Clc1cccc(N2CC[NH+](CC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000091313607 193039427 /nfs/dbraw/zinc/03/94/27/193039427.db2.gz OLOSBEHETLQJOY-INIZCTEOSA-N 2 0 309.841 1.841 10 0 DDAERP Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)sc1C[NH3+] ZINC000091429258 193055111 /nfs/dbraw/zinc/05/51/11/193055111.db2.gz XDAGRWYVOGZANE-NSHDSACASA-N 2 0 317.480 1.230 10 0 DDAERP CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000093464817 193256199 /nfs/dbraw/zinc/25/61/99/193256199.db2.gz COZKIQJHKRSGFU-ZFWWWQNUSA-N 2 0 317.499 1.311 10 0 DDAERP C[NH2+][C@H]1[C@@H](C[NH+](CCOC)CCOC)C(C)(C)OC1(C)C ZINC000094428931 193368660 /nfs/dbraw/zinc/36/86/60/193368660.db2.gz KERVRHSDJVKURV-KGLIPLIRSA-N 2 0 302.459 1.373 10 0 DDAERP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000120358844 195150657 /nfs/dbraw/zinc/15/06/57/195150657.db2.gz ZCHSIUHYGQSZGU-ARFHVFGLSA-N 2 0 310.486 1.889 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103307185 407336472 /nfs/dbraw/zinc/33/64/72/407336472.db2.gz CJRNZDQVCBHGOM-INIZCTEOSA-N 2 0 312.502 1.994 10 0 DDAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261778094 407614352 /nfs/dbraw/zinc/61/43/52/407614352.db2.gz FGVRJVQZZSEDTJ-ZWKOTPCHSA-N 3 0 302.466 1.835 10 0 DDAERP CC(C)n1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cn1 ZINC000179517030 407798640 /nfs/dbraw/zinc/79/86/40/407798640.db2.gz DHBFRMFAPKSDIA-HNNXBMFYSA-N 2 0 308.470 1.989 10 0 DDAERP COc1cccc(CNC(=O)CN(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000262501538 407850483 /nfs/dbraw/zinc/85/04/83/407850483.db2.gz MCPCDOWDUKLBJE-OAHLLOKOSA-N 2 0 305.422 1.385 10 0 DDAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000263097193 408023850 /nfs/dbraw/zinc/02/38/50/408023850.db2.gz YYXWEKVNRKUHTE-VHDGCEQUSA-N 2 0 323.387 1.935 10 0 DDAERP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246419726 408253264 /nfs/dbraw/zinc/25/32/64/408253264.db2.gz LXXFUNNQIGTDBZ-ZBFHGGJFSA-N 2 0 306.454 1.350 10 0 DDAERP C[C@@H](CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCCCC1 ZINC000182653628 408215611 /nfs/dbraw/zinc/21/56/11/408215611.db2.gz QYOASFMBPWEAIB-JKSUJKDBSA-N 2 0 308.470 1.741 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000246803414 408346021 /nfs/dbraw/zinc/34/60/21/408346021.db2.gz DCHPZJAXPKNRPG-CVEARBPZSA-N 2 0 310.486 1.746 10 0 DDAERP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000171588730 162227885 /nfs/dbraw/zinc/22/78/85/162227885.db2.gz UDZLYQONVJZSER-RRFJBIMHSA-N 2 0 313.486 1.314 10 0 DDAERP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000247219821 408429105 /nfs/dbraw/zinc/42/91/05/408429105.db2.gz YJEWLLNJUANVBF-XHSDSOJGSA-N 2 0 308.470 1.739 10 0 DDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247503726 408484265 /nfs/dbraw/zinc/48/42/65/408484265.db2.gz VGZOQQJXEBDGDD-WBVHZDCISA-N 2 0 322.497 1.987 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CC2CCCC2)CC1 ZINC000248861909 408648573 /nfs/dbraw/zinc/64/85/73/408648573.db2.gz BEGKDAXUHLFSCB-YJBOKZPZSA-N 2 0 312.498 1.952 10 0 DDAERP O[C@@H](C[NH2+]CCCc1ccc2c(c1)CCO2)C[NH+]1CCCCC1 ZINC000193276140 408709389 /nfs/dbraw/zinc/70/93/89/408709389.db2.gz FWGCFNSFMBDLBY-SFHVURJKSA-N 2 0 318.461 1.991 10 0 DDAERP CCOCCC[N@@H+]1CC[C@@H](NCc2nnnn2C(C)C)[C@H](C)C1 ZINC000187014437 163001931 /nfs/dbraw/zinc/00/19/31/163001931.db2.gz UPPMVNVYAKZIPM-HUUCEWRRSA-N 2 0 324.473 1.481 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000189985716 222063657 /nfs/dbraw/zinc/06/36/57/222063657.db2.gz BWOGPSVOIHEIAO-CABCVRRESA-N 2 0 310.486 1.841 10 0 DDAERP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649299352 423733139 /nfs/dbraw/zinc/73/31/39/423733139.db2.gz MCJYVWHLSIKIHM-IRXDYDNUSA-N 2 0 317.433 1.003 10 0 DDAERP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@H]12 ZINC000248584449 484234177 /nfs/dbraw/zinc/23/41/77/484234177.db2.gz FYBYXMZWXIKDJP-HYVNUMGLSA-N 2 0 313.445 1.504 10 0 DDAERP COc1ccc([C@@H](CNC(=O)CSCC[NH3+])[NH+](C)C)cc1 ZINC000096754761 185386456 /nfs/dbraw/zinc/38/64/56/185386456.db2.gz ZTWSGPRDCDAYRT-CQSZACIVSA-N 2 0 311.451 1.106 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)c1nc2sccn2c1CC[NH3+] ZINC000092678832 185333386 /nfs/dbraw/zinc/33/33/86/185333386.db2.gz QDBWVFHIRKXWDF-GFCCVEGCSA-N 2 0 307.467 1.818 10 0 DDAERP C[NH+](C)Cc1cccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000172047136 198030034 /nfs/dbraw/zinc/03/00/34/198030034.db2.gz QFXARRWMVIUJOL-MRXNPFEDSA-N 2 0 320.437 1.543 10 0 DDAERP OCCc1cccc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c1F ZINC000115648361 353986986 /nfs/dbraw/zinc/98/69/86/353986986.db2.gz KMRREWVYTIZCKV-UHFFFAOYSA-N 2 0 308.397 1.315 10 0 DDAERP C[NH+](C)[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000161619042 354243716 /nfs/dbraw/zinc/24/37/16/354243716.db2.gz CNNUMLIBHBJAJO-INIZCTEOSA-N 2 0 310.486 1.988 10 0 DDAERP CC[NH2+]Cc1ccc(C)c(S(=O)(=O)N(C)CC[NH+](C)C)c1 ZINC000089037298 192711958 /nfs/dbraw/zinc/71/19/58/192711958.db2.gz JPLAGNVODXNJEY-UHFFFAOYSA-N 2 0 313.467 1.287 10 0 DDAERP CCCCOC[C@@H](O)C[NH+]1CCN(c2cc(OC)ccn2)CC1 ZINC000193378043 201040382 /nfs/dbraw/zinc/04/03/82/201040382.db2.gz CFBYVLOJFZQCAT-HNNXBMFYSA-N 2 0 323.437 1.390 10 0 DDAERP CC[NH+](CC)CC[C@@H]([NH3+])C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093700740 193294823 /nfs/dbraw/zinc/29/48/23/193294823.db2.gz IGXXQMGBCQJXOB-UONOGXRCSA-N 2 0 305.488 1.107 10 0 DDAERP COCC[NH+](CCOC)[C@@H]1CCC[C@](CO)([NH2+]C2CC2)C1 ZINC000093783309 193307859 /nfs/dbraw/zinc/30/78/59/193307859.db2.gz QGYMZHJFIHBUBC-CVEARBPZSA-N 2 0 300.443 1.007 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000094364761 193365669 /nfs/dbraw/zinc/36/56/69/193365669.db2.gz GOXCUKPCZGTTEP-UONOGXRCSA-N 2 0 300.468 1.481 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccccc2)CC1 ZINC000105862189 194148565 /nfs/dbraw/zinc/14/85/65/194148565.db2.gz LHNAKHSFKVDJEQ-HNNXBMFYSA-N 2 0 319.449 1.650 10 0 DDAERP CC[C@@H]([NH3+])[C@H](c1ccsc1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642320 184180467 /nfs/dbraw/zinc/18/04/67/184180467.db2.gz RVQSQQVMOIDKHC-CVEARBPZSA-N 2 0 310.511 1.706 10 0 DDAERP C[NH2+]Cc1c(N(C)CC2CC[NH+](C)CC2)nc2sccn12 ZINC000063121266 184271782 /nfs/dbraw/zinc/27/17/82/184271782.db2.gz SGLFMUPCFGBRTM-UHFFFAOYSA-N 2 0 307.467 1.893 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000119730320 195026485 /nfs/dbraw/zinc/02/64/85/195026485.db2.gz VUSXWLGFMBVRLW-OAHLLOKOSA-N 2 0 310.486 1.987 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000105167580 407352914 /nfs/dbraw/zinc/35/29/14/407352914.db2.gz MARIJKSFXHDGFP-DLBZAZTESA-N 2 0 322.497 1.988 10 0 DDAERP C[C@@H](CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000106916858 407367014 /nfs/dbraw/zinc/36/70/14/407367014.db2.gz ZAVQBYZNGJTKTB-WMLDXEAASA-N 2 0 303.450 1.758 10 0 DDAERP CCOCCN1CCN(C(=O)C[N@H+](CC)C2CC2)C[C@@H]1CC ZINC000152720020 407675497 /nfs/dbraw/zinc/67/54/97/407675497.db2.gz CTEFIHCDXZMJED-HNNXBMFYSA-N 2 0 311.470 1.430 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000271448755 407689583 /nfs/dbraw/zinc/68/95/83/407689583.db2.gz HVRPTNJBOUTOSM-BHIYHBOVSA-N 2 0 317.477 1.817 10 0 DDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262091737 407738062 /nfs/dbraw/zinc/73/80/62/407738062.db2.gz UMGSDDVPNATWNV-DZGCQCFKSA-N 2 0 311.470 1.367 10 0 DDAERP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]([NH3+])COC ZINC000262370892 407814381 /nfs/dbraw/zinc/81/43/81/407814381.db2.gz WTAOYVZVKJVTHY-AWEZNQCLSA-N 2 0 313.467 1.392 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](CC)C1CC1 ZINC000174577617 407967918 /nfs/dbraw/zinc/96/79/18/407967918.db2.gz RXTMQJRIHDGBFV-GOEBONIOSA-N 2 0 308.470 1.739 10 0 DDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1CC ZINC000174630014 407970383 /nfs/dbraw/zinc/97/03/83/407970383.db2.gz SKELMFRWQGYWPU-ARFHVFGLSA-N 2 0 310.486 1.985 10 0 DDAERP C[C@@H]([NH2+]C1(CNC(=O)C2C[NH2+]C2)CCCC1)c1ccccc1 ZINC000263274150 408084209 /nfs/dbraw/zinc/08/42/09/408084209.db2.gz IQUMWTOSOFZSFG-CQSZACIVSA-N 2 0 301.434 1.986 10 0 DDAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000263270683 408085264 /nfs/dbraw/zinc/08/52/64/408085264.db2.gz SDOLIRQLIJMZRY-RHSMWYFYSA-N 2 0 323.868 1.474 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175330446 408106626 /nfs/dbraw/zinc/10/66/26/408106626.db2.gz CWYBYUVRMLGPDG-QGZVFWFLSA-N 2 0 324.513 1.392 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000247376794 408458865 /nfs/dbraw/zinc/45/88/65/408458865.db2.gz PNHKJGVNSUPCLY-QLFBSQMISA-N 2 0 312.502 1.991 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000247494157 408480554 /nfs/dbraw/zinc/48/05/54/408480554.db2.gz MJCPLBRZDDMRRF-BZUAXINKSA-N 2 0 308.470 1.596 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000247475257 408478199 /nfs/dbraw/zinc/47/81/99/408478199.db2.gz VPSPFWUCLYOXTP-GDBMZVCRSA-N 2 0 310.486 1.889 10 0 DDAERP CCC[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[NH+](C)C ZINC000162048951 408665466 /nfs/dbraw/zinc/66/54/66/408665466.db2.gz IMORNOWGHNUSBY-SJORKVTESA-N 2 0 324.513 1.345 10 0 DDAERP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)Cc1ccco1 ZINC000178327724 408804609 /nfs/dbraw/zinc/80/46/09/408804609.db2.gz VEWGLZXFQRUJOJ-OAHLLOKOSA-N 2 0 316.405 1.908 10 0 DDAERP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cncnc2)CCCN1C ZINC000284893659 409367430 /nfs/dbraw/zinc/36/74/30/409367430.db2.gz RIVAJFKTEQIONG-DOTOQJQBSA-N 2 0 314.437 1.725 10 0 DDAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000638835622 423149960 /nfs/dbraw/zinc/14/99/60/423149960.db2.gz NASLVVLDNBLIHQ-JOCBIADPSA-N 2 0 315.461 1.726 10 0 DDAERP CC[N@@H+]1CC[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634716956 422579743 /nfs/dbraw/zinc/57/97/43/422579743.db2.gz CAAYEICAOCOUSD-ZWKOTPCHSA-N 2 0 303.450 1.307 10 0 DDAERP CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000247169784 277384574 /nfs/dbraw/zinc/38/45/74/277384574.db2.gz KPTFYVDIWJFMCC-RDJZCZTQSA-N 2 0 322.497 1.985 10 0 DDAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000261936257 290390996 /nfs/dbraw/zinc/39/09/96/290390996.db2.gz WVVDGQDKFSQGDR-JKSUJKDBSA-N 2 0 323.481 1.607 10 0 DDAERP c1cnnc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1 ZINC000089732252 526558385 /nfs/dbraw/zinc/55/83/85/526558385.db2.gz BGZLWJFMASFQOQ-OWCLPIDISA-N 2 0 301.438 1.662 10 0 DDAERP C[NH2+][C@@H](C)CNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000261693121 698432964 /nfs/dbraw/zinc/43/29/64/698432964.db2.gz IPTWPSZTKFDAPF-INIZCTEOSA-N 2 0 318.465 1.231 10 0 DDAERP COC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719961875 699303272 /nfs/dbraw/zinc/30/32/72/699303272.db2.gz KPGUNXYHLJHFMJ-IAGOWNOFSA-N 2 0 319.449 1.473 10 0 DDAERP C[NH2+][C@@](C)(CCCC[NH+]1CCC(C(F)(F)F)CC1)C(N)=O ZINC000088435550 185250348 /nfs/dbraw/zinc/25/03/48/185250348.db2.gz KIRPCLONXKARAY-ZDUSSCGKSA-N 2 0 309.376 1.894 10 0 DDAERP CC(C)(C)OC(=O)Nc1cccc([C@@H]2C[NH2+]CCN2CC[NH3+])c1 ZINC000616635687 362764950 /nfs/dbraw/zinc/76/49/50/362764950.db2.gz KBBLUEAKMXYGRS-HNNXBMFYSA-N 2 0 320.437 1.939 10 0 DDAERP [NH3+]CCN(CC[NH3+])Cc1ccc(I)cc1 ZINC000083849762 192387078 /nfs/dbraw/zinc/38/70/78/192387078.db2.gz STOHUEPINABTGB-UHFFFAOYSA-N 2 0 319.190 1.011 10 0 DDAERP CC[NH+]1CCN(CCCN2Cc3ccc(C)cc3[C@H]2C[NH3+])CC1 ZINC000071683015 191007667 /nfs/dbraw/zinc/00/76/67/191007667.db2.gz BIIHGZOWLOZWJH-LJQANCHMSA-N 2 0 316.493 1.838 10 0 DDAERP COc1cc2c(c(OC)c1OC)CN(CCC[NH+](C)C)[C@H]2C[NH3+] ZINC000071684660 191008639 /nfs/dbraw/zinc/00/86/39/191008639.db2.gz KAFJPGAENPOCKP-AWEZNQCLSA-N 2 0 323.437 1.480 10 0 DDAERP C[NH+](C)[C@@H]1CCCN(c2cc(N[C@@H]3CCCOC3)ncn2)C1 ZINC000328621464 354548459 /nfs/dbraw/zinc/54/84/59/354548459.db2.gz AMVDCEHZCDCEIH-ZIAGYGMSSA-N 2 0 305.426 1.598 10 0 DDAERP CC(C)[NH2+]CCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092023980 193143604 /nfs/dbraw/zinc/14/36/04/193143604.db2.gz SCKCMKFULQRHKJ-CABCVRRESA-N 2 0 317.499 1.263 10 0 DDAERP C[NH2+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698408 193292442 /nfs/dbraw/zinc/29/24/42/193292442.db2.gz QUBFUMMMINBCGH-LSDHHAIUSA-N 2 0 317.499 1.122 10 0 DDAERP COCC[NH+](CCOC)[C@@H]1CCC[C@](CO)([NH2+]C(C)C)C1 ZINC000093783330 193307701 /nfs/dbraw/zinc/30/77/01/193307701.db2.gz XCGBHVVCNKEQFV-CVEARBPZSA-N 2 0 302.459 1.253 10 0 DDAERP CC[NH2+]CC1CC[NH+]([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000094644244 193389510 /nfs/dbraw/zinc/38/95/10/193389510.db2.gz LIEMRTQPFOCWCX-LSDHHAIUSA-N 2 0 302.484 1.664 10 0 DDAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCCCOC ZINC000020365670 182211699 /nfs/dbraw/zinc/21/16/99/182211699.db2.gz ZDHCVSOOKRSVOE-CABCVRRESA-N 2 0 301.475 1.628 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000041681888 183217208 /nfs/dbraw/zinc/21/72/08/183217208.db2.gz ZAMYDQXXLMYIMU-CQSZACIVSA-N 2 0 305.488 1.168 10 0 DDAERP C[NH2+]Cc1c(N2CCC(C[NH+](C)C)CC2)nc2sccn12 ZINC000042395613 183263655 /nfs/dbraw/zinc/26/36/55/183263655.db2.gz FCNGRLFAMHEDQY-UHFFFAOYSA-N 2 0 307.467 1.893 10 0 DDAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000111132586 194394703 /nfs/dbraw/zinc/39/47/03/194394703.db2.gz MLWRRRFVJOTOOI-CYBMUJFWSA-N 2 0 313.829 1.604 10 0 DDAERP CCN(CCC[NH2+][C@H](C)C1CC[NH+](CC)CC1)S(C)(=O)=O ZINC000038035526 284915053 /nfs/dbraw/zinc/91/50/53/284915053.db2.gz RFSVDXJDGBFWCR-CQSZACIVSA-N 2 0 319.515 1.368 10 0 DDAERP C[NH2+]Cc1cc(Br)cnc1N1CC[C@@H]([NH+](C)C)C1 ZINC000062971252 184263598 /nfs/dbraw/zinc/26/35/98/184263598.db2.gz NWESUDFXQWBJQB-GFCCVEGCSA-N 2 0 313.243 1.704 10 0 DDAERP Cc1[nH+]c(CN2C[C@@H]([NH3+])C[C@H]2C(=O)NC(C)C)c2ccccn12 ZINC000067675404 184477534 /nfs/dbraw/zinc/47/75/34/184477534.db2.gz DHOKMSLZOLBNKC-BBRMVZONSA-N 2 0 315.421 1.069 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000177397239 285271267 /nfs/dbraw/zinc/27/12/67/285271267.db2.gz PXEMMKQYAYEJJN-HOTGVXAUSA-N 2 0 310.486 1.844 10 0 DDAERP NC(=O)c1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261661038 407570981 /nfs/dbraw/zinc/57/09/81/407570981.db2.gz GVXSWHHGPRPGQG-MSOLQXFVSA-N 2 0 309.413 1.960 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000105127115 407352457 /nfs/dbraw/zinc/35/24/57/407352457.db2.gz IPNKXAOUJLPGIO-IXDOHACOSA-N 2 0 322.497 1.987 10 0 DDAERP [NH3+][C@@H](C(=O)NCCCCC[NH+]1CCCCC1)C1CCOCC1 ZINC000261869849 407650694 /nfs/dbraw/zinc/65/06/94/407650694.db2.gz SVKJMSGGFXYYHF-MRXNPFEDSA-N 2 0 311.470 1.513 10 0 DDAERP COc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261888031 407655814 /nfs/dbraw/zinc/65/58/14/407655814.db2.gz GCXKUSPRGNHYJE-ZACQAIPSSA-N 2 0 304.434 1.984 10 0 DDAERP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)c1ccccc1 ZINC000261890248 407656863 /nfs/dbraw/zinc/65/68/63/407656863.db2.gz GJHDKTYXDKNIHT-ZACQAIPSSA-N 2 0 317.433 1.163 10 0 DDAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000262195269 407762164 /nfs/dbraw/zinc/76/21/64/407762164.db2.gz ZXOTWMCQOVKGOC-INIZCTEOSA-N 2 0 311.470 1.321 10 0 DDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1CC ZINC000174630026 407971135 /nfs/dbraw/zinc/97/11/35/407971135.db2.gz SKELMFRWQGYWPU-HRCADAONSA-N 2 0 310.486 1.985 10 0 DDAERP COCCN1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C[C@@H]1C ZINC000168029883 162177321 /nfs/dbraw/zinc/17/73/21/162177321.db2.gz LAYSUXMAHWQCBD-CABCVRRESA-N 2 0 311.470 1.191 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000247560466 408492960 /nfs/dbraw/zinc/49/29/60/408492960.db2.gz ZZXMKBPFCSTWKN-ARFHVFGLSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000389853906 418750508 /nfs/dbraw/zinc/75/05/08/418750508.db2.gz ZMSDYZKUKORDAI-UWWQBHOKSA-N 2 0 301.434 1.765 10 0 DDAERP C[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C[NH+]1CCCCC1 ZINC000247508248 279333461 /nfs/dbraw/zinc/33/34/61/279333461.db2.gz VPCXBJCJMKFGOH-ZACQAIPSSA-N 2 0 322.497 1.987 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000113586141 288301426 /nfs/dbraw/zinc/30/14/26/288301426.db2.gz ZYWUQOQPSLPDCQ-CZUORRHYSA-N 2 0 306.454 1.491 10 0 DDAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000333295412 295306416 /nfs/dbraw/zinc/30/64/16/295306416.db2.gz PHMUFFTVVAAKAI-NFAWXSAZSA-N 2 0 312.421 1.899 10 0 DDAERP C[C@H]([NH2+]CCCn1cc(Br)cn1)[C@@H]1CC[NH2+]C1 ZINC000400730855 302370581 /nfs/dbraw/zinc/37/05/81/302370581.db2.gz IVNVRQWRVRPDDK-WDEREUQCSA-N 2 0 301.232 1.623 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCO[C@H]2CCCCO2)CC1 ZINC000248572357 282091726 /nfs/dbraw/zinc/09/17/26/282091726.db2.gz MKWVHEWOLXKDOA-RDJZCZTQSA-N 2 0 314.470 1.554 10 0 DDAERP NNc1nc(NCCC[NH+]2CCCC2)c(Br)c[nH+]1 ZINC000087870308 185234183 /nfs/dbraw/zinc/23/41/83/185234183.db2.gz LHVILVGZHJTKNO-UHFFFAOYSA-N 2 0 315.219 1.423 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)NCCCC[NH+](C)C)o1 ZINC000088543057 185256248 /nfs/dbraw/zinc/25/62/48/185256248.db2.gz WKRUKLNZJKBAPS-UHFFFAOYSA-N 2 0 303.428 1.009 10 0 DDAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCC(C)(C)[NH3+] ZINC000070087814 190857982 /nfs/dbraw/zinc/85/79/82/190857982.db2.gz DQJHOTXFKOYQDL-UHFFFAOYSA-N 3 0 300.491 1.236 10 0 DDAERP C[NH2+]Cc1sccc1S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091431029 193055466 /nfs/dbraw/zinc/05/54/66/193055466.db2.gz WDYKDFXKXFJNSI-LLVKDONJSA-N 2 0 317.480 1.182 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cs1 ZINC000091428667 193055494 /nfs/dbraw/zinc/05/54/94/193055494.db2.gz ASOIAOKNNCQOIO-LLVKDONJSA-N 2 0 317.480 1.182 10 0 DDAERP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])(SC)CC1 ZINC000091470778 193060681 /nfs/dbraw/zinc/06/06/81/193060681.db2.gz BDNLKXVGFUMZRN-OLZOCXBDSA-N 2 0 301.500 1.836 10 0 DDAERP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])(SC)CC1 ZINC000091470780 193060811 /nfs/dbraw/zinc/06/08/11/193060811.db2.gz BDNLKXVGFUMZRN-STQMWFEESA-N 2 0 301.500 1.836 10 0 DDAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)OCC(F)(F)F ZINC000106003006 194178001 /nfs/dbraw/zinc/17/80/01/194178001.db2.gz IYNDOFUUGUQIOL-UHFFFAOYSA-N 2 0 313.364 1.891 10 0 DDAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(=O)[O-] ZINC000111145388 194395174 /nfs/dbraw/zinc/39/51/74/194395174.db2.gz LWJROJBLQOGLOP-INIZCTEOSA-N 2 0 301.475 1.883 10 0 DDAERP C[NH+](C)CCO[C@@H]1C[N@H+](Cc2ccncc2)[C@H]2CCCO[C@@H]12 ZINC000247990035 257111668 /nfs/dbraw/zinc/11/16/68/257111668.db2.gz LEIIOBVFEWFWDY-GVDBMIGSSA-N 2 0 305.422 1.392 10 0 DDAERP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261878792 407653711 /nfs/dbraw/zinc/65/37/11/407653711.db2.gz FBQPOQFNIGANEH-ARFHVFGLSA-N 2 0 303.406 1.032 10 0 DDAERP COC(=O)COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000261977992 407699485 /nfs/dbraw/zinc/69/94/85/407699485.db2.gz QYZKSNYDUWRSSZ-OAHLLOKOSA-N 2 0 306.406 1.670 10 0 DDAERP COC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000262287240 407784483 /nfs/dbraw/zinc/78/44/83/407784483.db2.gz MMSQYMZHTHJVHZ-HOTGVXAUSA-N 2 0 305.422 1.222 10 0 DDAERP CC[C@@H]1CN(c2cc(NCC3CC3)ncn2)CC[N@@H+]1CCOC ZINC000119535307 408090478 /nfs/dbraw/zinc/09/04/78/408090478.db2.gz TVSLMQLSKMGPIF-OAHLLOKOSA-N 2 0 319.453 1.846 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000246390332 408241519 /nfs/dbraw/zinc/24/15/19/408241519.db2.gz IPNKXAOUJLPGIO-BRWVUGGUSA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000246726636 408325731 /nfs/dbraw/zinc/32/57/31/408325731.db2.gz ZCAUVITWWGJUBN-CVEARBPZSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171900916 162247059 /nfs/dbraw/zinc/24/70/59/162247059.db2.gz QQQPQLLHQWAGPY-IXDOHACOSA-N 2 0 322.497 1.844 10 0 DDAERP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000176742600 408429921 /nfs/dbraw/zinc/42/99/21/408429921.db2.gz JNFCFMKPJGTFSZ-HZPDHXFCSA-N 2 0 308.470 1.454 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000176416001 162536325 /nfs/dbraw/zinc/53/63/25/162536325.db2.gz CGWWCGKQLSBXMM-ZBFHGGJFSA-N 2 0 310.486 1.887 10 0 DDAERP Cc1cc(NC(=O)CN2CCC[C@H]2Cn2ccnc2C)no1 ZINC000178327613 408805852 /nfs/dbraw/zinc/80/58/52/408805852.db2.gz BBVJAGQZCPFCCR-ZDUSSCGKSA-N 2 0 303.366 1.591 10 0 DDAERP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000393636274 418759360 /nfs/dbraw/zinc/75/93/60/418759360.db2.gz VGPOOHVSJMXJBS-IXDOHACOSA-N 2 0 301.434 1.752 10 0 DDAERP CCN(CC)C(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247378243 279077254 /nfs/dbraw/zinc/07/72/54/279077254.db2.gz VPUQEQSMCOWRHI-GJZGRUSLSA-N 2 0 313.486 1.268 10 0 DDAERP CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245481965 279342119 /nfs/dbraw/zinc/34/21/19/279342119.db2.gz YYSQJMQUAOKLTN-GJZGRUSLSA-N 2 0 313.486 1.266 10 0 DDAERP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000261862362 295314537 /nfs/dbraw/zinc/31/45/37/295314537.db2.gz WYZCQTPBCVLIHB-HRCADAONSA-N 2 0 309.454 1.075 10 0 DDAERP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261893236 698443645 /nfs/dbraw/zinc/44/36/45/698443645.db2.gz ZXHJMCADMRSYBG-UAGQMJEPSA-N 2 0 303.450 1.918 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000262174832 698458390 /nfs/dbraw/zinc/45/83/90/698458390.db2.gz BBARHAWFMXOOJO-INIZCTEOSA-N 2 0 320.437 1.129 10 0 DDAERP C[NH2+][C@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702120876 699228657 /nfs/dbraw/zinc/22/86/57/699228657.db2.gz OXKUVQIIXKIDLH-UWWQBHOKSA-N 2 0 301.434 1.575 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713223829 699265104 /nfs/dbraw/zinc/26/51/04/699265104.db2.gz BMEBCGZWRSIBBE-DNMXQMFDSA-N 2 0 301.434 1.751 10 0 DDAERP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]nc3C)C2)[C@H]1C(C)C ZINC000888097739 709212588 /nfs/dbraw/zinc/21/25/88/709212588.db2.gz NQTPUTZNZFGZNF-VQHPVUNQSA-N 2 0 306.454 1.678 10 0 DDAERP CC[NH+](CC)CCNc1nc(NN)[nH+]cc1Br ZINC000087904504 185237340 /nfs/dbraw/zinc/23/73/40/185237340.db2.gz KFMXWBANWKYPJO-UHFFFAOYSA-N 2 0 303.208 1.278 10 0 DDAERP C[NH+](C)CCCNS(=O)(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000088542127 185256092 /nfs/dbraw/zinc/25/60/92/185256092.db2.gz SMNPEMXDYUTYMF-UHFFFAOYSA-N 2 0 317.455 1.398 10 0 DDAERP CCC[NH2+]Cc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000088542698 185256549 /nfs/dbraw/zinc/25/65/49/185256549.db2.gz FMQPPGSFVOPCDN-NSHDSACASA-N 2 0 303.428 1.008 10 0 DDAERP CC[NH+](CC)CCS[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000088736436 185263616 /nfs/dbraw/zinc/26/36/16/185263616.db2.gz VNXFFKLPSJUQLH-UONOGXRCSA-N 2 0 302.484 1.945 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000092680048 185333381 /nfs/dbraw/zinc/33/33/81/185333381.db2.gz DVGIJTVYKYUFOD-KBPBESRZSA-N 2 0 305.488 1.119 10 0 DDAERP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000172629378 198128274 /nfs/dbraw/zinc/12/82/74/198128274.db2.gz YFXXXDBIOZDROR-ROUUACIJSA-N 2 0 306.450 1.838 10 0 DDAERP CC(C)CN(CC[NH+](C)C)S(=O)(=O)[C@@H](C)C[NH2+]C(C)C ZINC000089008583 192695358 /nfs/dbraw/zinc/69/53/58/192695358.db2.gz MSUWMPJFIHWZDS-AWEZNQCLSA-N 2 0 307.504 1.222 10 0 DDAERP CCS(=O)(=O)N1CCC([NH2+][C@@H](C)C[C@H]2CCCC[NH2+]2)CC1 ZINC000093473991 193257555 /nfs/dbraw/zinc/25/75/55/193257555.db2.gz RVKSFADAWWRHTQ-DZGCQCFKSA-N 2 0 317.499 1.311 10 0 DDAERP CCN(CCC[NH2+][C@@H](C)C[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000093486384 193258702 /nfs/dbraw/zinc/25/87/02/193258702.db2.gz LASBUTYFAKFRDB-KBPBESRZSA-N 2 0 305.488 1.168 10 0 DDAERP C[NH2+]CCC1CC[NH+]([C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000094638745 193388424 /nfs/dbraw/zinc/38/84/24/193388424.db2.gz YXPULHJEEBLENO-CABCVRRESA-N 2 0 302.484 1.664 10 0 DDAERP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000333746559 249090000 /nfs/dbraw/zinc/09/00/00/249090000.db2.gz YKDDGDYZHUTGEH-ARLBYUKCSA-N 2 0 302.422 1.263 10 0 DDAERP CC[NH2+]Cc1cc(Br)cnc1N(C)CC[NH+](C)C ZINC000111149008 194395945 /nfs/dbraw/zinc/39/59/45/194395945.db2.gz LEVCUUIHAXUTDS-UHFFFAOYSA-N 2 0 315.259 1.951 10 0 DDAERP C[NH+](C)C[C@H]1CCCN1c1ncc(Br)cc1C[NH3+] ZINC000061654343 184181249 /nfs/dbraw/zinc/18/12/49/184181249.db2.gz LSHOEQZXFFZQKQ-GFCCVEGCSA-N 2 0 313.243 1.833 10 0 DDAERP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000158080514 197241586 /nfs/dbraw/zinc/24/15/86/197241586.db2.gz YFXXXDBIOZDROR-ZWKOTPCHSA-N 2 0 306.450 1.838 10 0 DDAERP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)O1 ZINC000248002969 257112153 /nfs/dbraw/zinc/11/21/53/257112153.db2.gz NYLOFVVGSYTSCO-KFWWJZLASA-N 2 0 323.462 1.158 10 0 DDAERP CC(C)[N@@H+]1C[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000123199656 407322688 /nfs/dbraw/zinc/32/26/88/407322688.db2.gz RWNGSMQFAMEFGI-PMPSAXMXSA-N 2 0 310.486 1.746 10 0 DDAERP CCC[NH+]1CCC(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113609071 407519176 /nfs/dbraw/zinc/51/91/76/407519176.db2.gz VGZOQQJXEBDGDD-RDJZCZTQSA-N 2 0 322.497 1.987 10 0 DDAERP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000261859069 407643286 /nfs/dbraw/zinc/64/32/86/407643286.db2.gz BYLIHXDPXGTPGZ-KSZLIROESA-N 2 0 309.498 1.998 10 0 DDAERP CC(C)c1nc(CN(C)[C@H]2CCN(C[C@]3(C)CC[NH2+]C3)C2)no1 ZINC000261722125 407593618 /nfs/dbraw/zinc/59/36/18/407593618.db2.gz GAFUVXKFAFCRCH-WMLDXEAASA-N 2 0 321.469 1.699 10 0 DDAERP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262022389 407715368 /nfs/dbraw/zinc/71/53/68/407715368.db2.gz OWQDAAZBSCVWMG-FQLMCAECSA-N 2 0 311.470 1.223 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000262376700 407816323 /nfs/dbraw/zinc/81/63/23/407816323.db2.gz XIVXSJGBNVWGCZ-QGZVFWFLSA-N 2 0 319.449 1.873 10 0 DDAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262395684 407823261 /nfs/dbraw/zinc/82/32/61/407823261.db2.gz YEWWSKZAEIDBKH-AWEZNQCLSA-N 2 0 311.470 1.369 10 0 DDAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@H]12 ZINC000262584414 407873958 /nfs/dbraw/zinc/87/39/58/407873958.db2.gz ZMLUWQPYDGDBPH-LEWSCRJBSA-N 2 0 318.808 1.517 10 0 DDAERP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000180458837 407889823 /nfs/dbraw/zinc/88/98/23/407889823.db2.gz ZRKBELJGDLUCCI-INIZCTEOSA-N 2 0 303.454 1.908 10 0 DDAERP CCN1CC[NH+](CCCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000262662163 407894541 /nfs/dbraw/zinc/89/45/41/407894541.db2.gz YTYUNWUSQDEKRE-JKSUJKDBSA-N 2 0 310.486 1.038 10 0 DDAERP CCC[C@@H]([NH3+])C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000262713461 407907657 /nfs/dbraw/zinc/90/76/57/407907657.db2.gz SQLYXUFMPHKMHF-MRXNPFEDSA-N 2 0 313.486 1.711 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCO[C@@H]2CCCCO2)CC1 ZINC000181689716 408026642 /nfs/dbraw/zinc/02/66/42/408026642.db2.gz MKWVHEWOLXKDOA-NVXWUHKLSA-N 2 0 314.470 1.554 10 0 DDAERP C[C@@H]1C[C@H](NC[C@H]2C[NH2+]C[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000263126799 408031523 /nfs/dbraw/zinc/03/15/23/408031523.db2.gz BJDRZEURLFVOEM-DDBAPUKQSA-N 2 0 303.450 1.209 10 0 DDAERP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263229799 408068224 /nfs/dbraw/zinc/06/82/24/408068224.db2.gz NFQKWLQCUACENJ-KMFMINBZSA-N 2 0 319.449 1.697 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000245846885 408080246 /nfs/dbraw/zinc/08/02/46/408080246.db2.gz FRWORPKDNRIEQU-DOTOQJQBSA-N 2 0 318.465 1.852 10 0 DDAERP CC[C@H]1CN(Cc2nccc(OC)c2OC)CC[N@@H+]1C[C@@H](C)O ZINC000190523407 408269660 /nfs/dbraw/zinc/26/96/60/408269660.db2.gz OSUOTQIKAPQQSQ-KGLIPLIRSA-N 2 0 323.437 1.376 10 0 DDAERP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000246759173 408334521 /nfs/dbraw/zinc/33/45/21/408334521.db2.gz BSWIOMZVOPTQJZ-OAGGEKHMSA-N 2 0 310.486 1.841 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000247494169 408482111 /nfs/dbraw/zinc/48/21/11/408482111.db2.gz MJCPLBRZDDMRRF-OAGGEKHMSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247555430 408492256 /nfs/dbraw/zinc/49/22/56/408492256.db2.gz QQQPQLLHQWAGPY-BBWFWOEESA-N 2 0 322.497 1.844 10 0 DDAERP C[C@H](CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCCCC1 ZINC000248496864 408578424 /nfs/dbraw/zinc/57/84/24/408578424.db2.gz QYOASFMBPWEAIB-CVEARBPZSA-N 2 0 308.470 1.741 10 0 DDAERP C[NH+](C)CC1(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000185165695 408773316 /nfs/dbraw/zinc/77/33/16/408773316.db2.gz MYFGZVSKLQINQN-HNNXBMFYSA-N 2 0 308.470 1.598 10 0 DDAERP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261870354 287014319 /nfs/dbraw/zinc/01/43/19/287014319.db2.gz DDDSBGVFXFARPC-XMTFNYHQSA-N 2 0 309.498 1.998 10 0 DDAERP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000638513717 422937915 /nfs/dbraw/zinc/93/79/15/422937915.db2.gz NDNIXFRYYSZAQW-SJORKVTESA-N 2 0 319.449 1.329 10 0 DDAERP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000665283714 424774425 /nfs/dbraw/zinc/77/44/25/424774425.db2.gz SUDRHOQKISPOIA-RBUKOAKNSA-N 2 0 316.493 1.534 10 0 DDAERP C[NH+](C)CC1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000119112145 281090579 /nfs/dbraw/zinc/09/05/79/281090579.db2.gz FYLXMVYYJXHKQU-OFLPRAFFSA-N 2 0 322.497 1.987 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000248737742 281196833 /nfs/dbraw/zinc/19/68/33/281196833.db2.gz OVTVOBZHFAJYGJ-RDJZCZTQSA-N 2 0 305.466 1.946 10 0 DDAERP c1ccc(C[N@@H+]2CCCO[C@H](CNC3CC[NH2+]CC3)C2)cc1 ZINC000390687426 307293755 /nfs/dbraw/zinc/29/37/55/307293755.db2.gz YVLQVNFRFUJWLP-GOSISDBHSA-N 2 0 303.450 1.619 10 0 DDAERP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000261745906 484255709 /nfs/dbraw/zinc/25/57/09/484255709.db2.gz MYZNYBBSGPOYLA-CEXWTWQISA-N 2 0 323.440 1.757 10 0 DDAERP COCC[N@H+](C)CCNC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079293748 185163767 /nfs/dbraw/zinc/16/37/67/185163767.db2.gz VXPZNDHDKUMAGW-AWEZNQCLSA-N 2 0 301.475 1.472 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000249759022 282194011 /nfs/dbraw/zinc/19/40/11/282194011.db2.gz KHIVWJMLUXKDMR-HOTGVXAUSA-N 2 0 310.486 1.892 10 0 DDAERP C[N@H+](CCC(F)(F)F)C[C@@H](O)COc1ccc(C[NH3+])cc1 ZINC000088417552 185249263 /nfs/dbraw/zinc/24/92/63/185249263.db2.gz VODKERRCIOVZQV-GFCCVEGCSA-N 2 0 306.328 1.769 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000088544530 185257008 /nfs/dbraw/zinc/25/70/08/185257008.db2.gz MTHJLFXDHXKLPP-GFCCVEGCSA-N 2 0 315.439 1.104 10 0 DDAERP C[NH+](C)CCNC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000219255485 354313506 /nfs/dbraw/zinc/31/35/06/354313506.db2.gz VYSUHAMRGIAHHH-UHFFFAOYSA-N 2 0 304.438 1.250 10 0 DDAERP O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000379455027 354625756 /nfs/dbraw/zinc/62/57/56/354625756.db2.gz MSXBYWWFCILLLF-SJORKVTESA-N 2 0 301.434 1.767 10 0 DDAERP CC(C)(C)CS(=O)(=O)N1CCC[N@H+](CCCC[NH3+])CC1 ZINC000080185589 192010507 /nfs/dbraw/zinc/01/05/07/192010507.db2.gz HCDYFZLXPOWEBL-UHFFFAOYSA-N 2 0 305.488 1.109 10 0 DDAERP C[NH+](C)C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091138013 193003545 /nfs/dbraw/zinc/00/35/45/193003545.db2.gz IAQDZWGGUOTZLJ-CABCVRRESA-N 2 0 307.463 1.501 10 0 DDAERP C[NH2+]Cc1csc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091430466 193055066 /nfs/dbraw/zinc/05/50/66/193055066.db2.gz ZIPODSQVJKKVHT-LBPRGKRZSA-N 2 0 317.480 1.182 10 0 DDAERP Cc1cc([C@H](C[NH3+])NCC[NH+](C)C)ccc1Br ZINC000091471283 193060792 /nfs/dbraw/zinc/06/07/92/193060792.db2.gz KXTQWQRDRYIRIP-ZDUSSCGKSA-N 2 0 300.244 1.909 10 0 DDAERP CC(C)[N@H+](C)CCCC[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696762 193292238 /nfs/dbraw/zinc/29/22/38/193292238.db2.gz OYHNTFCDROWXDM-OAHLLOKOSA-N 2 0 319.515 1.368 10 0 DDAERP CS(=O)(=O)[C@@H]1CCC[C@H]([NH+]2CCC(C[NH2+]C3CC3)CC2)C1 ZINC000094644253 193390067 /nfs/dbraw/zinc/39/00/67/193390067.db2.gz CNFAWMKCAPLORU-JKSUJKDBSA-N 2 0 314.495 1.806 10 0 DDAERP CCCN(CC[NH+](C)C)S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000041682101 183217097 /nfs/dbraw/zinc/21/70/97/183217097.db2.gz AZIGZWVGGFFCQM-UHFFFAOYSA-N 2 0 313.467 1.150 10 0 DDAERP CCCCOCCOC[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC000044518116 183417762 /nfs/dbraw/zinc/41/77/62/183417762.db2.gz KIBIGUYQLXGLCT-INIZCTEOSA-N 2 0 302.459 1.112 10 0 DDAERP O=S(=O)(C[C@@H]1CCC[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000049644346 183751149 /nfs/dbraw/zinc/75/11/49/183751149.db2.gz IGMRFRQLCXLKNC-AWEZNQCLSA-N 2 0 315.483 1.019 10 0 DDAERP CC[C@@H]([NH3+])[C@H](c1cccs1)N1CCN(CC[NH+](C)C)CC1 ZINC000061642431 184180314 /nfs/dbraw/zinc/18/03/14/184180314.db2.gz CLEZIJBKLVPKJT-GDBMZVCRSA-N 2 0 310.511 1.706 10 0 DDAERP C[NH+](C)CCN1CCN([C@@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000061642340 184180417 /nfs/dbraw/zinc/18/04/17/184180417.db2.gz YNWWIGVWCATINK-LBPRGKRZSA-N 2 0 316.902 1.581 10 0 DDAERP COC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000262169118 407756844 /nfs/dbraw/zinc/75/68/44/407756844.db2.gz APBFVPPSXPWTPX-INIZCTEOSA-N 2 0 305.422 1.975 10 0 DDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262091740 407738602 /nfs/dbraw/zinc/73/86/02/407738602.db2.gz UMGSDDVPNATWNV-UKRRQHHQSA-N 2 0 311.470 1.367 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000262295597 407788780 /nfs/dbraw/zinc/78/87/80/407788780.db2.gz NISNHZZRJLXLKH-WMLDXEAASA-N 2 0 319.449 1.651 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn3ccccc23)CC1 ZINC000179517321 407799279 /nfs/dbraw/zinc/79/92/79/407799279.db2.gz PNAJDPVFLFMKEE-HNNXBMFYSA-N 2 0 316.449 1.859 10 0 DDAERP C[NH+](C)CCOc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000262333888 407804223 /nfs/dbraw/zinc/80/42/23/407804223.db2.gz SSBAXDJTVMUNCM-UHFFFAOYSA-N 2 0 307.394 1.073 10 0 DDAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000246113642 408143725 /nfs/dbraw/zinc/14/37/25/408143725.db2.gz HYEAUWJYGYXLBN-SJORKVTESA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[Si](C)(C)C)CC2)C1 ZINC000171746242 162239611 /nfs/dbraw/zinc/23/96/11/162239611.db2.gz PIBTYOYTWNEMTF-MRXNPFEDSA-N 2 0 313.562 1.591 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000247087882 408405274 /nfs/dbraw/zinc/40/52/74/408405274.db2.gz JKQDIWQDUUBFCL-IJEWVQPXSA-N 2 0 308.470 1.499 10 0 DDAERP CC1CC[NH+](CCCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247237815 408436412 /nfs/dbraw/zinc/43/64/12/408436412.db2.gz MXRDMKKCKFJSLR-SJORKVTESA-N 2 0 322.497 1.987 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC[C@@H](C)C1 ZINC000247494178 408481683 /nfs/dbraw/zinc/48/16/83/408481683.db2.gz MJCPLBRZDDMRRF-PMPSAXMXSA-N 2 0 308.470 1.596 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247472996 408474323 /nfs/dbraw/zinc/47/43/23/408474323.db2.gz HMDAQJNJKMULJX-CVEARBPZSA-N 2 0 308.470 1.596 10 0 DDAERP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000183714077 162863736 /nfs/dbraw/zinc/86/37/36/162863736.db2.gz ZUEFNKWCAFXHCX-ZIAGYGMSSA-N 2 0 300.443 1.543 10 0 DDAERP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000263247941 163937827 /nfs/dbraw/zinc/93/78/27/163937827.db2.gz IGVGBJIXAJBWPT-CHWSQXEVSA-N 2 0 318.421 1.643 10 0 DDAERP Cn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000657427476 424342543 /nfs/dbraw/zinc/34/25/43/424342543.db2.gz OFWRNDVZRFMDPG-DOTOQJQBSA-N 2 0 304.438 1.739 10 0 DDAERP C[C@@H]1C[C@H](C)N(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000333226376 297366099 /nfs/dbraw/zinc/36/60/99/297366099.db2.gz BAVCULGMYMNYPY-DRMAHVMPSA-N 2 0 315.461 1.750 10 0 DDAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400403741 302369321 /nfs/dbraw/zinc/36/93/21/302369321.db2.gz QZQZNKUIWJHMEC-FUHWJXTLSA-N 3 0 317.477 1.601 10 0 DDAERP C[C@@H]([NH3+])CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000261749526 698436116 /nfs/dbraw/zinc/43/61/16/698436116.db2.gz HEAPAOCWOSYYBY-GFCCVEGCSA-N 2 0 318.421 1.060 10 0 DDAERP COCC[N@@H+]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000181688665 539238044 /nfs/dbraw/zinc/23/80/44/539238044.db2.gz YHOJMJNJMUWJRQ-INIZCTEOSA-N 2 0 323.456 1.910 10 0 DDAERP CC[C@H](C[NH3+])S(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000088472910 185252393 /nfs/dbraw/zinc/25/23/93/185252393.db2.gz FJEPSECPSODXHB-CQSZACIVSA-N 2 0 303.472 1.004 10 0 DDAERP Cc1c(C[NH3+])cccc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092679541 185333622 /nfs/dbraw/zinc/33/36/22/185333622.db2.gz UZVRRZRDBYZRIB-CQSZACIVSA-N 2 0 311.451 1.168 10 0 DDAERP C[C@H]([NH3+])CCC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000193324661 354291288 /nfs/dbraw/zinc/29/12/88/354291288.db2.gz OZEWRPKVNTUTPE-HOCLYGCPSA-N 2 0 304.438 1.680 10 0 DDAERP CCC[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[NH+](C)C ZINC000179548531 199053661 /nfs/dbraw/zinc/05/36/61/199053661.db2.gz YFDWTQRNBCQFSN-QGZVFWFLSA-N 2 0 318.465 1.893 10 0 DDAERP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C[NH3+])cc2)C1 ZINC000091394991 193050815 /nfs/dbraw/zinc/05/08/15/193050815.db2.gz LXYUNHJHLKWJNU-OAHLLOKOSA-N 2 0 311.451 1.001 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091431225 193055131 /nfs/dbraw/zinc/05/51/31/193055131.db2.gz QAXXOFXPCBBEEY-CQSZACIVSA-N 2 0 311.451 1.121 10 0 DDAERP C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C(N)=[NH2+])CC[N@@H+]1C ZINC000094336750 193360845 /nfs/dbraw/zinc/36/08/45/193360845.db2.gz QGDZLYLPWCLRHZ-MRVPVSSYSA-N 2 0 301.316 1.525 10 0 DDAERP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000041682052 183217023 /nfs/dbraw/zinc/21/70/23/183217023.db2.gz ZYOPZNKHSSLNHM-CYBMUJFWSA-N 2 0 313.467 1.196 10 0 DDAERP C[NH+](C)CC1CCN(S(=O)(=O)c2ccccc2C[NH3+])CC1 ZINC000042396498 183263042 /nfs/dbraw/zinc/26/30/42/183263042.db2.gz XGEWRUPXKNWWIE-UHFFFAOYSA-N 2 0 311.451 1.108 10 0 DDAERP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)CCC2CC[NH2+]CC2)C1 ZINC000110318252 194321463 /nfs/dbraw/zinc/32/14/63/194321463.db2.gz JWTZMIIUDMBBOO-HNNXBMFYSA-N 2 0 317.499 1.122 10 0 DDAERP C[N@@H+]1CCN(c2ncc(Br)cc2C[NH3+])CC1(C)C ZINC000110750586 194356969 /nfs/dbraw/zinc/35/69/69/194356969.db2.gz FLPKQMSGLXPEPB-UHFFFAOYSA-N 2 0 313.243 1.833 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1 ZINC000062072974 184204514 /nfs/dbraw/zinc/20/45/14/184204514.db2.gz HTZSGCXLEUDQFQ-UHFFFAOYSA-N 2 0 311.451 1.170 10 0 DDAERP C[C@@]1(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)CC[NH2+]C1 ZINC000062895432 184258871 /nfs/dbraw/zinc/25/88/71/184258871.db2.gz QJICIHPQMXHYJT-MRXNPFEDSA-N 2 0 307.463 1.782 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000262289933 407785867 /nfs/dbraw/zinc/78/58/67/407785867.db2.gz MXJXWZFUUKFBLV-OAHLLOKOSA-N 2 0 321.421 1.382 10 0 DDAERP COC[C@@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000262307998 407790268 /nfs/dbraw/zinc/79/02/68/407790268.db2.gz ORNRCDUYHSIORN-GOEBONIOSA-N 2 0 319.449 1.740 10 0 DDAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000181046768 407948346 /nfs/dbraw/zinc/94/83/46/407948346.db2.gz FRWORPKDNRIEQU-WBVHZDCISA-N 2 0 318.465 1.852 10 0 DDAERP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000174354719 407937849 /nfs/dbraw/zinc/93/78/49/407937849.db2.gz XNYKLWSOTRKZMS-INIZCTEOSA-N 2 0 310.486 1.985 10 0 DDAERP C[N@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000263197869 408053424 /nfs/dbraw/zinc/05/34/24/408053424.db2.gz IRNCEPCVZIKWSL-DLBZAZTESA-N 2 0 305.466 1.315 10 0 DDAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000263306895 408101241 /nfs/dbraw/zinc/10/12/41/408101241.db2.gz YABQKKDWRGYBBP-DNVCBOLYSA-N 2 0 322.412 1.695 10 0 DDAERP COc1ccccc1[C@H](CNC(=O)C1C[NH2+]C1)[NH+]1CCCCC1 ZINC000263335678 408110942 /nfs/dbraw/zinc/11/09/42/408110942.db2.gz WFMOXJDWYYYONK-INIZCTEOSA-N 2 0 317.433 1.558 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000246779300 408339090 /nfs/dbraw/zinc/33/90/90/408339090.db2.gz BEEGUYBNJGKXRT-BBWFWOEESA-N 2 0 322.497 1.985 10 0 DDAERP CN(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000168729106 162180733 /nfs/dbraw/zinc/18/07/33/162180733.db2.gz AHYVFQQLHPYXCU-STQMWFEESA-N 2 0 318.421 1.643 10 0 DDAERP CC[NH+]1CCC(CCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000173508238 162343361 /nfs/dbraw/zinc/34/33/61/162343361.db2.gz FNPDKESZVRPFOC-DOTOQJQBSA-N 2 0 322.497 1.987 10 0 DDAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000192735954 408641564 /nfs/dbraw/zinc/64/15/64/408641564.db2.gz QUWKWPARGXUFIQ-QGZVFWFLSA-N 2 0 320.485 1.331 10 0 DDAERP CN(C)c1noc(CN2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000185264624 408788702 /nfs/dbraw/zinc/78/87/02/408788702.db2.gz RYIBFAMBKKATPO-LBPRGKRZSA-N 2 0 302.382 1.465 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000194145808 408765044 /nfs/dbraw/zinc/76/50/44/408765044.db2.gz MRVQRUSFOIMHSP-XHSDSOJGSA-N 2 0 310.486 1.890 10 0 DDAERP CN(C(=O)[C@]1(C)CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381885091 418729880 /nfs/dbraw/zinc/72/98/80/418729880.db2.gz PWQASMYVCJAKNA-WMZOPIPTSA-N 2 0 301.434 1.861 10 0 DDAERP C[NH+](C)C[C@@H](O)C[C@]1(C[NH3+])CCCN(C(=O)OC(C)(C)C)C1 ZINC000310032848 337868204 /nfs/dbraw/zinc/86/82/04/337868204.db2.gz YQLIOGJPEXPIHO-BBRMVZONSA-N 2 0 315.458 1.275 10 0 DDAERP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1)C(C)C ZINC000262202565 484264655 /nfs/dbraw/zinc/26/46/55/484264655.db2.gz IFZRMKRXOXUVJT-DLBZAZTESA-N 2 0 319.449 1.227 10 0 DDAERP C[N+](C)(C)CCCO/N=C/C=C/C=N/OCCC[N+](C)(C)C ZINC000038802281 717126168 /nfs/dbraw/zinc/12/61/68/717126168.db2.gz CEDRKXFWILOKHX-MPACLXOPSA-N 2 0 314.474 1.740 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C[NH+](C)C)C(C)C)o1 ZINC000088543079 185256544 /nfs/dbraw/zinc/25/65/44/185256544.db2.gz AHLMXQUJKICTTR-CYBMUJFWSA-N 2 0 317.455 1.254 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccs1 ZINC000171896367 282241138 /nfs/dbraw/zinc/24/11/38/282241138.db2.gz FATKTGBPGJMYMV-ZIAGYGMSSA-N 2 0 322.478 1.840 10 0 DDAERP C[NH2+]Cc1ccccc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092678780 185333592 /nfs/dbraw/zinc/33/35/92/185333592.db2.gz JNOMSKOCUDAKMS-CQSZACIVSA-N 2 0 311.451 1.121 10 0 DDAERP CSC1(C[NH3+])CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000091474582 193061271 /nfs/dbraw/zinc/06/12/71/193061271.db2.gz MCCZHDHIFYMXHA-CQSZACIVSA-N 2 0 301.500 1.252 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@@H]1c1cccc(Br)c1 ZINC000093374722 193240464 /nfs/dbraw/zinc/24/04/64/193240464.db2.gz PYFWXUGKQAWNOM-GFCCVEGCSA-N 2 0 311.227 1.682 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105148688 194079360 /nfs/dbraw/zinc/07/93/60/194079360.db2.gz IHWSLHKRUJZCOP-JKSUJKDBSA-N 2 0 310.486 1.842 10 0 DDAERP COCC[N@@H+]1CCO[C@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000503718361 257208855 /nfs/dbraw/zinc/20/88/55/257208855.db2.gz RZIWOBNTOHIAOJ-RDJZCZTQSA-N 2 0 308.397 1.605 10 0 DDAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1O ZINC000121108161 195294356 /nfs/dbraw/zinc/29/43/56/195294356.db2.gz ADVILKQQHJJCHX-CQSZACIVSA-N 2 0 322.449 1.925 10 0 DDAERP C[N@H+](CCCO)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915678 407357212 /nfs/dbraw/zinc/35/72/12/407357212.db2.gz KPWUOSKBWVQZIQ-SFHVURJKSA-N 2 0 306.450 1.746 10 0 DDAERP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000113457660 407505476 /nfs/dbraw/zinc/50/54/76/407505476.db2.gz LSKAUAXFNOFIMJ-IRXDYDNUSA-N 2 0 303.450 1.569 10 0 DDAERP CCN(C(C)=O)c1nc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000261616123 407553803 /nfs/dbraw/zinc/55/38/03/407553803.db2.gz FTLRDHDJHMTYMN-YUTCNCBUSA-N 2 0 308.451 1.685 10 0 DDAERP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000178849646 407624872 /nfs/dbraw/zinc/62/48/72/407624872.db2.gz TUNLFRXJCXWHNC-LSDHHAIUSA-N 2 0 311.470 1.510 10 0 DDAERP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261914388 407669537 /nfs/dbraw/zinc/66/95/37/407669537.db2.gz JMHMSXOQTZWNKH-QRVBRYPASA-N 2 0 317.477 1.995 10 0 DDAERP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262063763 407729846 /nfs/dbraw/zinc/72/98/46/407729846.db2.gz AOWLUYLOTVALOX-NVXWUHKLSA-N 2 0 303.450 1.778 10 0 DDAERP Cc1cc(NC[C@H](O)CN2CCOCC2)c2cccc(F)c2n1 ZINC000153023166 407737681 /nfs/dbraw/zinc/73/76/81/407737681.db2.gz JWAYCHDTOHWNPA-ZDUSSCGKSA-N 2 0 319.380 1.787 10 0 DDAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000173845152 407902483 /nfs/dbraw/zinc/90/24/83/407902483.db2.gz MJJLYYQDSHIUFK-DLBZAZTESA-N 2 0 322.497 1.987 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@H]2CCC[NH+]2CC)C1 ZINC000245431297 407978532 /nfs/dbraw/zinc/97/85/32/407978532.db2.gz MWGSZVTWIPIPLH-HZPDHXFCSA-N 2 0 310.486 1.844 10 0 DDAERP C[C@@H]1C[C@H](NC[C@H]2C[NH2+]C[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000263126802 408032138 /nfs/dbraw/zinc/03/21/38/408032138.db2.gz BJDRZEURLFVOEM-VDHUWJSZSA-N 2 0 303.450 1.209 10 0 DDAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2C[NH2+]C2)cc1 ZINC000263242955 408072984 /nfs/dbraw/zinc/07/29/84/408072984.db2.gz CMFABFZEASCWRM-CQSZACIVSA-N 2 0 301.434 1.897 10 0 DDAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](CC)C2)C1 ZINC000246399039 408245598 /nfs/dbraw/zinc/24/55/98/408245598.db2.gz RKBNNMDINPDIIV-HOTGVXAUSA-N 2 0 310.486 1.844 10 0 DDAERP C[NH+](C)CCn1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000173920942 162378315 /nfs/dbraw/zinc/37/83/15/162378315.db2.gz UAOIMQSJVMEJLT-AWEZNQCLSA-N 2 0 320.441 1.147 10 0 DDAERP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246977134 408378968 /nfs/dbraw/zinc/37/89/68/408378968.db2.gz QXHNSKJUIAMLCO-MSOLQXFVSA-N 2 0 317.477 1.960 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000247269786 408441807 /nfs/dbraw/zinc/44/18/07/408441807.db2.gz CABWLJXTJFZPSP-HOTGVXAUSA-N 2 0 312.502 1.944 10 0 DDAERP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1CN(C)CCO1 ZINC000190165066 163130453 /nfs/dbraw/zinc/13/04/53/163130453.db2.gz LBXDEDDEYUUOJM-HNNXBMFYSA-N 2 0 314.474 1.080 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261881119 287085617 /nfs/dbraw/zinc/08/56/17/287085617.db2.gz ZBLRVPIGQBGJSC-VNQPRFMTSA-N 2 0 311.470 1.055 10 0 DDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000247278261 279299407 /nfs/dbraw/zinc/29/94/07/279299407.db2.gz KETJWCOQHHFIHC-XHSDSOJGSA-N 2 0 310.486 1.841 10 0 DDAERP [NH3+]C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@H]1c1ccccc1 ZINC000262230995 303411204 /nfs/dbraw/zinc/41/12/04/303411204.db2.gz NWUCBVKXTRTCCR-CVEARBPZSA-N 2 0 301.434 1.706 10 0 DDAERP COc1ccc(C2CCC([NH2+]C[C@H]3C[NH2+]C[C@H]3O)CC2)cc1 ZINC000262158552 484264105 /nfs/dbraw/zinc/26/41/05/484264105.db2.gz SGKKHRPGQJPYFJ-ZUTYODEGSA-N 2 0 304.434 1.891 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CC(F)(F)F)CC1 ZINC000249501083 282161089 /nfs/dbraw/zinc/16/10/89/282161089.db2.gz XFSQWPJMXUGBDO-AAEUAGOBSA-N 2 0 312.376 1.324 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000170862087 282241246 /nfs/dbraw/zinc/24/12/46/282241246.db2.gz KVBJJXLIMVKLPB-HZPDHXFCSA-N 2 0 304.438 1.635 10 0 DDAERP C[NH+](C)Cc1ccc2c(c1)[C@@H](C[NH3+])N(C1CC[NH+](C)CC1)C2 ZINC000071683823 191007624 /nfs/dbraw/zinc/00/76/24/191007624.db2.gz SDGDJYMHXVQGCJ-GOSISDBHSA-N 3 0 302.466 1.658 10 0 DDAERP CCC[NH2+]C[C@H](C)S(=O)(=O)N(CC[NH+](C)C)CC(C)C ZINC000089008616 192695139 /nfs/dbraw/zinc/69/51/39/192695139.db2.gz HVMFMAQISXGARC-AWEZNQCLSA-N 2 0 307.504 1.224 10 0 DDAERP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)C1 ZINC000091545491 193071433 /nfs/dbraw/zinc/07/14/33/193071433.db2.gz ZUDSNQMXUVIDPA-KBPBESRZSA-N 2 0 307.463 1.910 10 0 DDAERP C[NH2+]C1CCC([N@H+](C)Cc2cc(=O)n3ncsc3n2)CC1 ZINC000091873015 193121335 /nfs/dbraw/zinc/12/13/35/193121335.db2.gz TWLRVAVADXDJEC-UHFFFAOYSA-N 2 0 307.423 1.113 10 0 DDAERP C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000093698429 193292951 /nfs/dbraw/zinc/29/29/51/193292951.db2.gz UJIKUGNBPIWLSB-RRFJBIMHSA-N 2 0 317.499 1.107 10 0 DDAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000262195272 284581704 /nfs/dbraw/zinc/58/17/04/284581704.db2.gz ZXOTWMCQOVKGOC-MRXNPFEDSA-N 2 0 311.470 1.321 10 0 DDAERP C[C@H]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000333543462 249018878 /nfs/dbraw/zinc/01/88/78/249018878.db2.gz JOEAFIGMTYCBFS-XJKSGUPXSA-N 2 0 308.470 1.630 10 0 DDAERP CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1 ZINC000111141169 194394365 /nfs/dbraw/zinc/39/43/65/194394365.db2.gz UEFSEBSGYXMSQD-CYBMUJFWSA-N 2 0 313.467 1.539 10 0 DDAERP CCc1ccc([C@H](C[NH3+])N2CCN(CC[NH+](C)C)CC2)s1 ZINC000061643132 184180391 /nfs/dbraw/zinc/18/03/91/184180391.db2.gz WGZASLQSSXCBAE-HNNXBMFYSA-N 2 0 310.511 1.490 10 0 DDAERP CC[C@](C)(O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000123527788 407331254 /nfs/dbraw/zinc/33/12/54/407331254.db2.gz VSOZGFKQPSVWKJ-IBGZPJMESA-N 2 0 319.493 1.897 10 0 DDAERP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170829678 407520141 /nfs/dbraw/zinc/52/01/41/407520141.db2.gz PBSZYSJLLAIRKW-OAGGEKHMSA-N 2 0 310.486 1.700 10 0 DDAERP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000170832468 407521148 /nfs/dbraw/zinc/52/11/48/407521148.db2.gz QKEWURBKNRSIHM-JKSUJKDBSA-N 2 0 322.428 1.774 10 0 DDAERP [NH3+]C1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000261765899 407607676 /nfs/dbraw/zinc/60/76/76/407607676.db2.gz GHARLPIHFJNJBL-MRXNPFEDSA-N 2 0 317.433 1.275 10 0 DDAERP O=C(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)NC1CCCCC1 ZINC000261873256 407649601 /nfs/dbraw/zinc/64/96/01/407649601.db2.gz DJKAMDHXRQZLCD-GVDBMIGSSA-N 2 0 323.481 1.572 10 0 DDAERP COC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000262285945 407784196 /nfs/dbraw/zinc/78/41/96/407784196.db2.gz MICNWPUMRLAPSI-MRXNPFEDSA-N 2 0 305.422 1.627 10 0 DDAERP [NH3+][C@@H]1CCC[C@H](C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000246202019 408176841 /nfs/dbraw/zinc/17/68/41/408176841.db2.gz FBMPFVKXPHVOTI-DOTOQJQBSA-N 2 0 301.434 1.678 10 0 DDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246389357 408241460 /nfs/dbraw/zinc/24/14/60/408241460.db2.gz IHWSLHKRUJZCOP-HOTGVXAUSA-N 2 0 310.486 1.842 10 0 DDAERP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)C1 ZINC000246779322 408337983 /nfs/dbraw/zinc/33/79/83/408337983.db2.gz BEEGUYBNJGKXRT-GVDBMIGSSA-N 2 0 322.497 1.985 10 0 DDAERP C[C@H]1CN(Cc2ccccc2)CCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC000168676696 162181302 /nfs/dbraw/zinc/18/13/02/162181302.db2.gz NOUOBLDWXVMUPH-RDJZCZTQSA-N 2 0 301.434 1.861 10 0 DDAERP CC(C)[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638511890 422937210 /nfs/dbraw/zinc/93/72/10/422937210.db2.gz CHEPYMIVDGTPJE-ROUUACIJSA-N 2 0 315.461 1.965 10 0 DDAERP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175191634 279335467 /nfs/dbraw/zinc/33/54/67/279335467.db2.gz YYSQJMQUAOKLTN-HUUCEWRRSA-N 2 0 313.486 1.266 10 0 DDAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711382135 699257100 /nfs/dbraw/zinc/25/71/00/699257100.db2.gz DATZQWHCMJIANF-HOCLYGCPSA-N 2 0 303.450 1.869 10 0 DDAERP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H]3CCCC[C@@H]3O)C2)ccn1 ZINC000886062966 708690691 /nfs/dbraw/zinc/69/06/91/708690691.db2.gz DKSXBECBQVHFMI-KURKYZTESA-N 2 0 319.449 1.900 10 0 DDAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000079253774 185162534 /nfs/dbraw/zinc/16/25/34/185162534.db2.gz FXHFKLWHUWQDDU-CABCVRRESA-N 2 0 300.491 1.992 10 0 DDAERP CC[NH2+]Cc1ccc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)o1 ZINC000088543190 185256206 /nfs/dbraw/zinc/25/62/06/185256206.db2.gz FKKOGVNBQMCOIL-LLVKDONJSA-N 2 0 303.428 1.008 10 0 DDAERP CC[NH+](CC)CCSCc1nc2c(cnn2C)c(NN)[nH+]1 ZINC000088734567 185263713 /nfs/dbraw/zinc/26/37/13/185263713.db2.gz FESSETGOTXDEST-UHFFFAOYSA-N 2 0 309.443 1.224 10 0 DDAERP Cc1ccc(C[NH3+])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092626645 185329674 /nfs/dbraw/zinc/32/96/74/185329674.db2.gz OESDNFWZDIFVHJ-AWEZNQCLSA-N 2 0 311.451 1.168 10 0 DDAERP CC[C@@H](O)C[NH+]1CCN(Cc2cn3cc(C)ccc3n2)CC1 ZINC000174087766 198290390 /nfs/dbraw/zinc/29/03/90/198290390.db2.gz QCQGXIMPZCVSBA-MRXNPFEDSA-N 2 0 302.422 1.531 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N(C)CCC[NH+](C)C)ccc1C ZINC000089037404 192713350 /nfs/dbraw/zinc/71/33/50/192713350.db2.gz ZVZGFVJPBCHSJN-UHFFFAOYSA-N 2 0 313.467 1.287 10 0 DDAERP CCC[NH2+][C@]1(CO)CCC[C@H]([NH+](CCOC)CCOC)C1 ZINC000093783323 193306950 /nfs/dbraw/zinc/30/69/50/193306950.db2.gz HFPCORNFHJCEEW-JKSUJKDBSA-N 2 0 302.459 1.255 10 0 DDAERP CSC1(C[NH3+])CC[NH+]([C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000094364762 193365877 /nfs/dbraw/zinc/36/58/77/193365877.db2.gz GOXCUKPCZGTTEP-KGLIPLIRSA-N 2 0 300.468 1.481 10 0 DDAERP C[C@@H]1[C@H](N2CCOCC2)CCN1c1cc(NC2CC2)ncn1 ZINC000334058818 249199101 /nfs/dbraw/zinc/19/91/01/249199101.db2.gz XKQINGGNMTWVJC-TZMCWYRMSA-N 2 0 303.410 1.350 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000041681981 183216982 /nfs/dbraw/zinc/21/69/82/183216982.db2.gz ALCJHNYAXPRTCU-JTQLQIEISA-N 2 0 305.469 1.215 10 0 DDAERP CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000041681745 183217186 /nfs/dbraw/zinc/21/71/86/183217186.db2.gz VPMVIJCOLKHHRC-STQMWFEESA-N 2 0 313.467 1.715 10 0 DDAERP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000105198495 194084171 /nfs/dbraw/zinc/08/41/71/194084171.db2.gz PXWIMTQLIUTLQW-DLBZAZTESA-N 2 0 322.497 1.987 10 0 DDAERP C[NH+](C)CCN1CCN([C@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000061642357 184180126 /nfs/dbraw/zinc/18/01/26/184180126.db2.gz IQUFNOQFLDEEOX-MRXNPFEDSA-N 2 0 310.873 1.519 10 0 DDAERP COc1ccc(O)cc1C[NH+]1CCC2(CC1)C[N@H+](C)CCN2C ZINC000067641394 407278077 /nfs/dbraw/zinc/27/80/77/407278077.db2.gz LZCYKLMOGFPFIW-UHFFFAOYSA-N 2 0 319.449 1.613 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)CC[C@H]2CC[NH2+]C2)C[C@H]1CC ZINC000261894798 407660264 /nfs/dbraw/zinc/66/02/64/407660264.db2.gz UHPRENUGMBWDFJ-JKSUJKDBSA-N 2 0 311.470 1.335 10 0 DDAERP COCCN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000261929643 407674475 /nfs/dbraw/zinc/67/44/75/407674475.db2.gz LKLAMDFBCBGLHV-ARFHVFGLSA-N 2 0 304.438 1.333 10 0 DDAERP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171904383 407790459 /nfs/dbraw/zinc/79/04/59/407790459.db2.gz UPNSEGHHPYUVAM-YYIAUSFCSA-N 2 0 322.497 1.842 10 0 DDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCN2CCC(C)CC2)CC1 ZINC000153809915 407908043 /nfs/dbraw/zinc/90/80/43/407908043.db2.gz AOTAWBVIKOXDKI-QGZVFWFLSA-N 2 0 311.514 1.743 10 0 DDAERP C[C@@H]1CCC[C@](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)([NH+](C)C)C1 ZINC000246034932 408125036 /nfs/dbraw/zinc/12/50/36/408125036.db2.gz UXFHRPQDLPXSDI-INMHGKMJSA-N 2 0 310.486 1.842 10 0 DDAERP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)C1 ZINC000263313916 408103531 /nfs/dbraw/zinc/10/35/31/408103531.db2.gz PWHVHBHAGLYJHA-AWEZNQCLSA-N 2 0 301.434 1.754 10 0 DDAERP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3C[NH2+]C3)cc2)C1 ZINC000263313917 408104759 /nfs/dbraw/zinc/10/47/59/408104759.db2.gz PWHVHBHAGLYJHA-CQSZACIVSA-N 2 0 301.434 1.754 10 0 DDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246376086 408237452 /nfs/dbraw/zinc/23/74/52/408237452.db2.gz GYNQMKWACYYZLS-CVEARBPZSA-N 2 0 308.470 1.741 10 0 DDAERP O[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000151260348 408286712 /nfs/dbraw/zinc/28/67/12/408286712.db2.gz JOVLYOPYXVALFO-AWEZNQCLSA-N 2 0 323.403 1.450 10 0 DDAERP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247009294 408388055 /nfs/dbraw/zinc/38/80/55/408388055.db2.gz FTEHACYMDSBIFA-BZUAXINKSA-N 2 0 308.470 1.739 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247489846 408480383 /nfs/dbraw/zinc/48/03/83/408480383.db2.gz UDMAVDQDCZVINH-ZBFHGGJFSA-N 2 0 308.470 1.737 10 0 DDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000176975892 408489875 /nfs/dbraw/zinc/48/98/75/408489875.db2.gz GDHNYDKVMNLJGO-HNNXBMFYSA-N 2 0 313.405 1.824 10 0 DDAERP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)C1(C)C ZINC000249098173 408686843 /nfs/dbraw/zinc/68/68/43/408686843.db2.gz JATJXXYSYVQCRT-CPUCHLNUSA-N 2 0 311.470 1.462 10 0 DDAERP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000312008709 418591027 /nfs/dbraw/zinc/59/10/27/418591027.db2.gz IIMPYBXROSBYMN-DLBZAZTESA-N 2 0 319.449 1.377 10 0 DDAERP C(CN1CC[NH+](CCC2CC[NH2+]CC2)CC1)C1CC[NH2+]CC1 ZINC000584647059 422301300 /nfs/dbraw/zinc/30/13/00/422301300.db2.gz AUKDXQRYGNSJGT-UHFFFAOYSA-N 3 0 308.514 1.383 10 0 DDAERP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000247558071 282059862 /nfs/dbraw/zinc/05/98/62/282059862.db2.gz RFCAKBHTFWJZHQ-CVEARBPZSA-N 2 0 308.470 1.596 10 0 DDAERP CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1CC ZINC000261712711 484254377 /nfs/dbraw/zinc/25/43/77/484254377.db2.gz JIIAWZQBBHVOMZ-ARFHVFGLSA-N 2 0 311.470 1.463 10 0 DDAERP O[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716621708 699283102 /nfs/dbraw/zinc/28/31/02/699283102.db2.gz SMTNLNNYIAKVQQ-VPAKFMSCSA-N 2 0 316.445 1.779 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000249086250 282131674 /nfs/dbraw/zinc/13/16/74/282131674.db2.gz BWOGPSVOIHEIAO-HUUCEWRRSA-N 2 0 310.486 1.841 10 0 DDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079253778 185162595 /nfs/dbraw/zinc/16/25/95/185162595.db2.gz FXHFKLWHUWQDDU-LSDHHAIUSA-N 2 0 300.491 1.992 10 0 DDAERP [NH3+]Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000186480497 199962928 /nfs/dbraw/zinc/96/29/28/199962928.db2.gz GJWSKWAZMNBYAY-INIZCTEOSA-N 2 0 305.422 1.112 10 0 DDAERP C[NH2+]Cc1cc(S(=O)(=O)N2CCC[C@H]([NH+](C)C)C2)cs1 ZINC000091428664 193054604 /nfs/dbraw/zinc/05/46/04/193054604.db2.gz ASOIAOKNNCQOIO-NSHDSACASA-N 2 0 317.480 1.182 10 0 DDAERP C[NH+](C)CCN1C(=[NH2+])NC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000093374510 193241183 /nfs/dbraw/zinc/24/11/83/193241183.db2.gz ARYORYPCHZNOQW-LBPRGKRZSA-N 2 0 300.328 1.938 10 0 DDAERP C[NH2+]C1CCC([N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000093695741 193290313 /nfs/dbraw/zinc/29/03/13/193290313.db2.gz HFXYCGUDYNQQPL-NFOMZHRRSA-N 2 0 317.499 1.120 10 0 DDAERP CC(C)[N@H+](CC1CC[NH2+]CC1)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000094012322 193338340 /nfs/dbraw/zinc/33/83/40/193338340.db2.gz PBJWUYXESXDKPE-GJZGRUSLSA-N 2 0 302.484 1.662 10 0 DDAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NCCCOC ZINC000020365671 182211937 /nfs/dbraw/zinc/21/19/37/182211937.db2.gz ZDHCVSOOKRSVOE-GJZGRUSLSA-N 2 0 301.475 1.628 10 0 DDAERP Clc1nc2ccccc2cc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000020968616 182256530 /nfs/dbraw/zinc/25/65/30/182256530.db2.gz NLOFNVGUZLXXGK-UHFFFAOYSA-N 2 0 304.825 1.883 10 0 DDAERP C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CCN(CCO)CC1 ZINC000043252748 183346853 /nfs/dbraw/zinc/34/68/53/183346853.db2.gz IZERDAMDKMZTAD-ZWNOBZJWSA-N 2 0 303.859 1.400 10 0 DDAERP CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCN(CCO)CC1 ZINC000043252740 183347260 /nfs/dbraw/zinc/34/72/60/183347260.db2.gz QWQORGXUZAJWAA-RISCZKNCSA-N 2 0 317.886 1.790 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000105174436 194082326 /nfs/dbraw/zinc/08/23/26/194082326.db2.gz PGMXSACJUJADNQ-HOTGVXAUSA-N 2 0 310.486 1.890 10 0 DDAERP CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1 ZINC000111141168 194394626 /nfs/dbraw/zinc/39/46/26/194394626.db2.gz UEFSEBSGYXMSQD-ZDUSSCGKSA-N 2 0 313.467 1.539 10 0 DDAERP C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111141185 194394006 /nfs/dbraw/zinc/39/40/06/194394006.db2.gz OBMMBHAKOZYJEC-ZDUSSCGKSA-N 2 0 313.467 1.539 10 0 DDAERP CC[N@H+](C)Cc1cccc(CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261871234 207366735 /nfs/dbraw/zinc/36/67/35/207366735.db2.gz OENUVBRBLHTKPR-UHFFFAOYSA-N 2 0 305.422 1.262 10 0 DDAERP C[C@@H]1CCC[C@@](CNC(=O)C2(C[NH3+])CCOCC2)([NH+](C)C)C1 ZINC000262309619 296453887 /nfs/dbraw/zinc/45/38/87/296453887.db2.gz PNZUZTBAANKQKY-RHSMWYFYSA-N 2 0 311.470 1.369 10 0 DDAERP CC[NH+](CC)CCN(Cc1noc(CN)n1)Cc1ccccc1 ZINC000261618160 407555239 /nfs/dbraw/zinc/55/52/39/407555239.db2.gz CQLZROAPZJQFKP-UHFFFAOYSA-N 2 0 317.437 1.872 10 0 DDAERP C[C@@H](CNC(=O)C1([NH3+])CCOCC1)N1CCc2sccc2C1 ZINC000261670927 407574021 /nfs/dbraw/zinc/57/40/21/407574021.db2.gz BXAIUFSEZUBQNS-LBPRGKRZSA-N 2 0 323.462 1.119 10 0 DDAERP CC(C)[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000113579198 407515526 /nfs/dbraw/zinc/51/55/26/407515526.db2.gz UDMAVDQDCZVINH-GDBMZVCRSA-N 2 0 308.470 1.737 10 0 DDAERP C[NH+](C)CCOc1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261766177 407606689 /nfs/dbraw/zinc/60/66/89/407606689.db2.gz MCBHPDSIIYUMRG-MRXNPFEDSA-N 2 0 321.421 1.319 10 0 DDAERP CCOCC[N@@H+]1CCN(c2cc(NCC3CC3)ncn2)C[C@@H]1C ZINC000119535106 408088969 /nfs/dbraw/zinc/08/89/69/408088969.db2.gz CYHLINUWABWNDW-AWEZNQCLSA-N 2 0 319.453 1.846 10 0 DDAERP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]2Cn2ccnc2C)no1 ZINC000178301240 408802084 /nfs/dbraw/zinc/80/20/84/408802084.db2.gz CQUPYMZSIGFJHC-AWEZNQCLSA-N 2 0 317.393 1.981 10 0 DDAERP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000393636272 418759013 /nfs/dbraw/zinc/75/90/13/418759013.db2.gz VGPOOHVSJMXJBS-BRWVUGGUSA-N 2 0 301.434 1.752 10 0 DDAERP C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422973366 227289221 /nfs/dbraw/zinc/28/92/21/227289221.db2.gz BVQVXXDVTKRSHO-CGTJXYLNSA-N 2 0 303.450 1.211 10 0 DDAERP CC[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000246623762 282002340 /nfs/dbraw/zinc/00/23/40/282002340.db2.gz WDDUOJHUBZWHCK-JKSUJKDBSA-N 2 0 311.470 1.022 10 0 DDAERP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000397445301 302354749 /nfs/dbraw/zinc/35/47/49/302354749.db2.gz KFNLPQIEEXTRSZ-KBPBESRZSA-N 2 0 313.442 1.212 10 0 DDAERP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H]3CCCC[C@H]3O)C2)ccn1 ZINC000886062965 708690728 /nfs/dbraw/zinc/69/07/28/708690728.db2.gz DKSXBECBQVHFMI-FGTMMUONSA-N 2 0 319.449 1.900 10 0 DDAERP COc1ccc([C@H](C[NH3+])NCC[NH+](C)C)cc1OC(F)F ZINC000087911977 185237225 /nfs/dbraw/zinc/23/72/25/185237225.db2.gz XPLFQXNKJXCRNX-NSHDSACASA-N 2 0 303.353 1.448 10 0 DDAERP CC[NH2+]CCCCS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092680054 185333585 /nfs/dbraw/zinc/33/35/85/185333585.db2.gz MCZDCHKGJIUWDQ-AWEZNQCLSA-N 2 0 305.488 1.122 10 0 DDAERP CC(C)[C@H]([NH3+])c1nc(CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cs1 ZINC000071694840 191008983 /nfs/dbraw/zinc/00/89/83/191008983.db2.gz PUSVDEJNJAXDEK-GOEBONIOSA-N 2 0 322.478 1.553 10 0 DDAERP C[NH2+]Cc1ccccc1S(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091428098 193055104 /nfs/dbraw/zinc/05/51/04/193055104.db2.gz BAZBKTRTAMTLGY-AWEZNQCLSA-N 2 0 311.451 1.121 10 0 DDAERP [NH3+][C@@H]1C=C[C@H](C(=O)N2CCC[N@H+](Cc3cccs3)CC2)C1 ZINC000092205049 193173200 /nfs/dbraw/zinc/17/32/00/193173200.db2.gz YXEOUHJXOYTUJM-UONOGXRCSA-N 2 0 305.447 1.686 10 0 DDAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)Cc1ccccc1 ZINC000261758021 203110675 /nfs/dbraw/zinc/11/06/75/203110675.db2.gz LOQLLTFBNAWVCG-CVEARBPZSA-N 2 0 305.422 1.131 10 0 DDAERP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000093523485 193264133 /nfs/dbraw/zinc/26/41/33/193264133.db2.gz PLZHJZHMNQWNPU-MELADBBJSA-N 2 0 302.484 1.710 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000094459103 193371549 /nfs/dbraw/zinc/37/15/49/193371549.db2.gz FKAOFZUBIHDDPM-TZMCWYRMSA-N 2 0 309.435 1.003 10 0 DDAERP CC(C)[NH2+]CCCS(=O)(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000045012245 183476166 /nfs/dbraw/zinc/47/61/66/183476166.db2.gz AJOZEDDAGWPGNP-CQSZACIVSA-N 2 0 305.488 1.168 10 0 DDAERP CC[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(N)=O ZINC000105861672 194148453 /nfs/dbraw/zinc/14/84/53/194148453.db2.gz DXRLNXVTLHZLAJ-IRXDYDNUSA-N 2 0 319.449 1.286 10 0 DDAERP CCO[C@@H](C[NH3+])CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000062740845 184252157 /nfs/dbraw/zinc/25/21/57/184252157.db2.gz JSTKORQUMCRIMP-CYBMUJFWSA-N 2 0 301.431 1.293 10 0 DDAERP [NH3+]Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062968018 184263791 /nfs/dbraw/zinc/26/37/91/184263791.db2.gz AZCFIQRBCINKEU-AWEZNQCLSA-N 2 0 309.435 1.004 10 0 DDAERP C[N@@H+]1CCN(c2ncnc3c2CC[NH2+]C3)C[C@@H]1c1ccccc1 ZINC000067691944 407280841 /nfs/dbraw/zinc/28/08/41/407280841.db2.gz RLEZHRPHVVTDLT-QGZVFWFLSA-N 2 0 309.417 1.615 10 0 DDAERP CC(C)(C)CC[NH+]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262293240 407787226 /nfs/dbraw/zinc/78/72/26/407787226.db2.gz OWFYFBGVASETEC-UHFFFAOYSA-N 2 0 311.470 1.322 10 0 DDAERP CCC(CC)(CNC(=O)[C@@H]([NH3+])COC)[NH2+][C@@H](C)c1ccccc1 ZINC000262384389 407821062 /nfs/dbraw/zinc/82/10/62/407821062.db2.gz YGFDTLQQGFZGLJ-HOCLYGCPSA-N 2 0 321.465 1.986 10 0 DDAERP COc1cccc(CNC(=O)CN(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000262501528 407849742 /nfs/dbraw/zinc/84/97/42/407849742.db2.gz MCPCDOWDUKLBJE-HNNXBMFYSA-N 2 0 305.422 1.385 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000246803431 408346119 /nfs/dbraw/zinc/34/61/19/408346119.db2.gz DCHPZJAXPKNRPG-HZPDHXFCSA-N 2 0 310.486 1.746 10 0 DDAERP COCCN1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C[C@H]1C ZINC000168029787 162176646 /nfs/dbraw/zinc/17/66/46/162176646.db2.gz LAYSUXMAHWQCBD-HUUCEWRRSA-N 2 0 311.470 1.191 10 0 DDAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247075760 408402756 /nfs/dbraw/zinc/40/27/56/408402756.db2.gz YUUZICXCFKBHCQ-CVEARBPZSA-N 2 0 308.470 1.741 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000247098325 408405161 /nfs/dbraw/zinc/40/51/61/408405161.db2.gz IALISERXIRORQR-MAUKXSAKSA-N 2 0 306.450 1.745 10 0 DDAERP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000176742616 408430032 /nfs/dbraw/zinc/43/00/32/408430032.db2.gz JNFCFMKPJGTFSZ-JKSUJKDBSA-N 2 0 308.470 1.454 10 0 DDAERP CC(=O)N[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191450801 163186724 /nfs/dbraw/zinc/18/67/24/163186724.db2.gz SPRWGLQFDPQONQ-KRWDZBQOSA-N 2 0 310.486 1.003 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000194171393 418540332 /nfs/dbraw/zinc/54/03/32/418540332.db2.gz UIRWQLYLBAHZDZ-HNNXBMFYSA-N 2 0 308.470 1.741 10 0 DDAERP COC[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000643787877 423343232 /nfs/dbraw/zinc/34/32/32/423343232.db2.gz JXTKMCGPKBPOSV-MAUKXSAKSA-N 2 0 319.449 1.392 10 0 DDAERP CN1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000665283712 424774343 /nfs/dbraw/zinc/77/43/43/424774343.db2.gz SUDRHOQKISPOIA-MOPGFXCFSA-N 2 0 316.493 1.534 10 0 DDAERP CO[C@H]1C[C@@H](C(N)=O)[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000344559365 272059375 /nfs/dbraw/zinc/05/93/75/272059375.db2.gz ZTBZBXHJZXAINQ-HOTGVXAUSA-N 2 0 314.389 1.255 10 0 DDAERP C[C@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000571991895 308207665 /nfs/dbraw/zinc/20/76/65/308207665.db2.gz AXQMOEMXMBAKOB-UHOSZYNNSA-N 2 0 317.477 1.601 10 0 DDAERP COC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719961878 699303415 /nfs/dbraw/zinc/30/34/15/699303415.db2.gz KPGUNXYHLJHFMJ-SJORKVTESA-N 2 0 319.449 1.473 10 0 DDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000249086252 282131499 /nfs/dbraw/zinc/13/14/99/282131499.db2.gz BWOGPSVOIHEIAO-LSDHHAIUSA-N 2 0 310.486 1.841 10 0 DDAERP Clc1ccc(OCCC[NH+]2CCN(C3C[NH2+]C3)CC2)cc1 ZINC000090307510 185290197 /nfs/dbraw/zinc/29/01/97/185290197.db2.gz KRWPZTIRNKBZOS-UHFFFAOYSA-N 2 0 309.841 1.698 10 0 DDAERP C[NH2+]Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000092633972 185330485 /nfs/dbraw/zinc/33/04/85/185330485.db2.gz MONVGWXHFYXNME-AWEZNQCLSA-N 2 0 311.451 1.121 10 0 DDAERP C[NH+](C)Cc1ccc2c(c1)[C@H](C[NH3+])N(C1CC[NH+](C)CC1)C2 ZINC000071683822 191006664 /nfs/dbraw/zinc/00/66/64/191006664.db2.gz SDGDJYMHXVQGCJ-SFHVURJKSA-N 3 0 302.466 1.658 10 0 DDAERP CCNC(=O)CC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195294062 354295750 /nfs/dbraw/zinc/29/57/50/354295750.db2.gz XAPQDYPEFUZYIG-MRXNPFEDSA-N 2 0 304.438 1.362 10 0 DDAERP CC(C)(C)[NH2+]CCn1nnnc1SCCC[NH+]1CCCC1 ZINC000089690764 192843589 /nfs/dbraw/zinc/84/35/89/192843589.db2.gz GIHMWYHGPHAJRF-UHFFFAOYSA-N 2 0 312.487 1.639 10 0 DDAERP CC[NH2+][C@]1(CO)CCC[C@H]1CC[NH+](CCOC)CCOC ZINC000093617730 193275748 /nfs/dbraw/zinc/27/57/48/193275748.db2.gz ZBCUMZPEGZJSGT-HOTGVXAUSA-N 2 0 302.459 1.112 10 0 DDAERP C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C[NH2+]2)CCC1 ZINC000097933360 193767352 /nfs/dbraw/zinc/76/73/52/193767352.db2.gz FSVVKLYEMZLAAK-QWRGUYRKSA-N 2 0 307.360 1.517 10 0 DDAERP CN(C)Nc1[nH+]cnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040759914 183130064 /nfs/dbraw/zinc/13/00/64/183130064.db2.gz XEHMJYYEVKAJTM-UHFFFAOYSA-N 2 0 307.446 1.668 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)c1ccccc1C[NH3+] ZINC000041675959 183215088 /nfs/dbraw/zinc/21/50/88/183215088.db2.gz LKTCRQCNKXKAGM-UHFFFAOYSA-N 2 0 313.467 1.544 10 0 DDAERP CC(C)[N@H+](C)CCCCNS(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000041681319 183216147 /nfs/dbraw/zinc/21/61/47/183216147.db2.gz LKNWBHFDTGAUGG-HNNXBMFYSA-N 2 0 319.515 1.558 10 0 DDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105273051 194090821 /nfs/dbraw/zinc/09/08/21/194090821.db2.gz JYBOHUKVDKKNLP-DLBZAZTESA-N 2 0 322.497 1.987 10 0 DDAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1cc(Cl)c2c(c1)OCCO2 ZINC000111132583 194394158 /nfs/dbraw/zinc/39/41/58/194394158.db2.gz MLWRRRFVJOTOOI-ZDUSSCGKSA-N 2 0 313.829 1.604 10 0 DDAERP CN(Cc1cccc(Br)c1)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990420 184200147 /nfs/dbraw/zinc/20/01/47/184200147.db2.gz KCXRVQBMVHYHRP-AWEZNQCLSA-N 2 0 312.255 1.914 10 0 DDAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262395686 296384140 /nfs/dbraw/zinc/38/41/40/296384140.db2.gz YEWWSKZAEIDBKH-CQSZACIVSA-N 2 0 311.470 1.369 10 0 DDAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000084963877 407096622 /nfs/dbraw/zinc/09/66/22/407096622.db2.gz PSGLIMHEUBSNLC-MSOLQXFVSA-N 2 0 306.450 1.838 10 0 DDAERP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1 ZINC000123414365 407328268 /nfs/dbraw/zinc/32/82/68/407328268.db2.gz OBJHXOYTGZMDMI-ARFHVFGLSA-N 2 0 310.486 1.746 10 0 DDAERP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000111875502 407419075 /nfs/dbraw/zinc/41/90/75/407419075.db2.gz XQIWZANWKZWUDR-WBVHZDCISA-N 2 0 318.465 1.852 10 0 DDAERP C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261713641 407589679 /nfs/dbraw/zinc/58/96/79/407589679.db2.gz MUHDRWCOHVQQLV-MXSMSXNCSA-N 2 0 315.461 1.869 10 0 DDAERP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261953990 407688343 /nfs/dbraw/zinc/68/83/43/407688343.db2.gz GKXDZFPODKIAOM-JQHSSLGASA-N 2 0 319.497 1.734 10 0 DDAERP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261962277 407691935 /nfs/dbraw/zinc/69/19/35/407691935.db2.gz AHTPZQCDWGQRKL-CWRNSKLLSA-N 2 0 323.462 1.106 10 0 DDAERP COC[C@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000262342533 407806284 /nfs/dbraw/zinc/80/62/84/407806284.db2.gz IBQWBYTYSREXRH-HDEZJCGLSA-N 2 0 319.449 1.233 10 0 DDAERP COc1ccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000262401975 407824454 /nfs/dbraw/zinc/82/44/54/407824454.db2.gz CJFVGEQNHICPRH-ZKYQVNSYSA-N 2 0 323.824 1.956 10 0 DDAERP CC(C)(C)c1cc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000262566239 407868384 /nfs/dbraw/zinc/86/83/84/407868384.db2.gz WREZNEDFDLQUHC-QJPTWQEYSA-N 2 0 306.410 1.580 10 0 DDAERP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000188612643 407962807 /nfs/dbraw/zinc/96/28/07/407962807.db2.gz BCMUYPHZAYGBDW-OAHLLOKOSA-N 2 0 314.474 1.080 10 0 DDAERP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]C[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000263126797 408031846 /nfs/dbraw/zinc/03/18/46/408031846.db2.gz BJDRZEURLFVOEM-BZZMCLGOSA-N 2 0 303.450 1.209 10 0 DDAERP C[C@H](C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1cccc(Br)c1 ZINC000263296623 408096228 /nfs/dbraw/zinc/09/62/28/408096228.db2.gz WKRLURFRHGLNHT-MPKXVKKWSA-N 2 0 313.239 1.723 10 0 DDAERP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1CC ZINC000246418880 408253136 /nfs/dbraw/zinc/25/31/36/408253136.db2.gz SKELMFRWQGYWPU-XHSDSOJGSA-N 2 0 310.486 1.985 10 0 DDAERP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246301754 408211571 /nfs/dbraw/zinc/21/15/71/408211571.db2.gz AMLDLGOPODYCMN-JKSUJKDBSA-N 2 0 310.486 1.700 10 0 DDAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000171654728 162233516 /nfs/dbraw/zinc/23/35/16/162233516.db2.gz BBNGRQUMHHURPM-HZPDHXFCSA-N 2 0 308.470 1.741 10 0 DDAERP C(CN1CC[NH+]2CCCC[C@H]2C1)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248331266 408547294 /nfs/dbraw/zinc/54/72/94/408547294.db2.gz DXPONNDDKZBPJJ-OALUTQOASA-N 2 0 320.525 1.717 10 0 DDAERP Cc1ccc(N(C)C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)nn1 ZINC000261897245 163724081 /nfs/dbraw/zinc/72/40/81/163724081.db2.gz VGEXRDVRMLAWOH-KRWDZBQOSA-N 2 0 303.454 1.685 10 0 DDAERP [NH3+]Cc1ccc(-c2noc(-c3ccn([C@@H]4CCC[NH2+]C4)n3)n2)cc1 ZINC000262025340 163751116 /nfs/dbraw/zinc/75/11/16/163751116.db2.gz NOGAZXHFUDYWMW-CQSZACIVSA-N 2 0 324.388 1.983 10 0 DDAERP CN(c1nc(NN)[nH+]cc1Br)C1CC[NH+](C)CC1 ZINC000087897077 185235584 /nfs/dbraw/zinc/23/55/84/185235584.db2.gz YLKIOTXCUBHRIF-UHFFFAOYSA-N 2 0 315.219 1.055 10 0 DDAERP CCC[C@@H](C(=O)N1CCN(CCOC)[C@@H](CCC)C1)[NH+](C)C ZINC000252799230 282211735 /nfs/dbraw/zinc/21/17/35/282211735.db2.gz AGYLHINKBKLTBI-HOTGVXAUSA-N 2 0 313.486 1.676 10 0 DDAERP Cc1ccc(C[NH3+])cc1S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000070431190 190890736 /nfs/dbraw/zinc/89/07/36/190890736.db2.gz GJPQHTSXDXJTQQ-AWEZNQCLSA-N 2 0 311.451 1.168 10 0 DDAERP CC(C)[C@@H]([NH3+])c1nc(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cs1 ZINC000071694837 191008874 /nfs/dbraw/zinc/00/88/74/191008874.db2.gz PUSVDEJNJAXDEK-ZBFHGGJFSA-N 2 0 322.478 1.553 10 0 DDAERP CC(C)c1nccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)CC2)n1 ZINC000072153676 191058362 /nfs/dbraw/zinc/05/83/62/191058362.db2.gz GKMQRDAEHZIJTE-QGZVFWFLSA-N 2 0 306.454 1.879 10 0 DDAERP CC(C)[NH2+]CCCCS(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091450490 193057471 /nfs/dbraw/zinc/05/74/71/193057471.db2.gz KWZCQCHPEKMORT-AWEZNQCLSA-N 2 0 305.488 1.120 10 0 DDAERP NC(=O)[C@]1([NH3+])CCC[C@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093596138 193270914 /nfs/dbraw/zinc/27/09/14/193270914.db2.gz JQJRWDRPYOAMTK-GWCFXTLKSA-N 2 0 307.360 1.634 10 0 DDAERP C[NH2+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093698407 193292559 /nfs/dbraw/zinc/29/25/59/193292559.db2.gz QUBFUMMMINBCGH-GJZGRUSLSA-N 2 0 317.499 1.122 10 0 DDAERP CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000049641134 183750683 /nfs/dbraw/zinc/75/06/83/183750683.db2.gz ZCYSHRPEXSRYMO-CQSZACIVSA-N 2 0 319.515 1.416 10 0 DDAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)CCC[NH+](C)C)C(N)=O ZINC000111146028 194395227 /nfs/dbraw/zinc/39/52/27/194395227.db2.gz QOBZZWGOCKSVPO-MRXNPFEDSA-N 3 0 300.491 1.284 10 0 DDAERP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000061644231 184180328 /nfs/dbraw/zinc/18/03/28/184180328.db2.gz FCBZTBWTHUOXAL-OAHLLOKOSA-N 2 0 311.451 1.001 10 0 DDAERP CN(Cc1ccccc1Br)[C@]1(C[NH3+])CC[N@H+](C)C1 ZINC000061990424 184199766 /nfs/dbraw/zinc/19/97/66/184199766.db2.gz OCXIDMNAOFJZAH-AWEZNQCLSA-N 2 0 312.255 1.914 10 0 DDAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000245927562 285265603 /nfs/dbraw/zinc/26/56/03/285265603.db2.gz HVMFJKAPXRHUPR-PMPSAXMXSA-N 2 0 308.470 1.596 10 0 DDAERP COCCn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261654576 407568815 /nfs/dbraw/zinc/56/88/15/407568815.db2.gz FSZWRBPTNLRARE-MSOLQXFVSA-N 2 0 314.433 1.704 10 0 DDAERP Cc1nn(-c2ccccc2)c(C)c1[C@H](C[NH3+])N1CC[NH+](C)CC1 ZINC000053994326 407175360 /nfs/dbraw/zinc/17/53/60/407175360.db2.gz AMVBXEKAWYPGSI-KRWDZBQOSA-N 2 0 313.449 1.736 10 0 DDAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000238005753 407865829 /nfs/dbraw/zinc/86/58/29/407865829.db2.gz RJEWNFZJCQHHRI-CVEARBPZSA-N 2 0 323.481 1.607 10 0 DDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CC(F)(F)F)CC1 ZINC000189180927 408003093 /nfs/dbraw/zinc/00/30/93/408003093.db2.gz XFSQWPJMXUGBDO-WCQYABFASA-N 2 0 312.376 1.324 10 0 DDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000246353111 408231183 /nfs/dbraw/zinc/23/11/83/408231183.db2.gz GGMHJRSWHMUOHT-ZNMIVQPWSA-N 2 0 310.486 1.887 10 0 DDAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000247332830 408451242 /nfs/dbraw/zinc/45/12/42/408451242.db2.gz NAWUYTTUHGNFLA-CZUORRHYSA-N 2 0 308.470 1.641 10 0 DDAERP CCC[C@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)[NH+](C)C ZINC000162411753 408699365 /nfs/dbraw/zinc/69/93/65/408699365.db2.gz NTTBQIOELKZXIE-MRXNPFEDSA-N 2 0 313.486 1.676 10 0 DDAERP CN(CC1CC[NH+](C)CC1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262735062 163871564 /nfs/dbraw/zinc/87/15/64/163871564.db2.gz INPVGJNATHXOHJ-HNNXBMFYSA-N 2 0 319.453 1.221 10 0 DDAERP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000649335556 423761947 /nfs/dbraw/zinc/76/19/47/423761947.db2.gz JPNJTDNBAGIRSI-IAGOWNOFSA-N 2 0 317.433 1.003 10 0 DDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000247560284 288308132 /nfs/dbraw/zinc/30/81/32/288308132.db2.gz ZYWUQOQPSLPDCQ-CJNGLKHVSA-N 2 0 306.454 1.491 10 0 DDAERP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)c1ccc(F)cc1 ZINC000262030323 698450952 /nfs/dbraw/zinc/45/09/52/698450952.db2.gz XJWDGIRHMVSOOX-QBPKDAKJSA-N 2 0 308.397 1.606 10 0 DDAERP