smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(C[NH2+]CCCN2CCCC2)cc1 ZINC000020129182 171017544 /nfs/dbraw/zinc/01/75/44/171017544.db2.gz LXFHEZKAKVVCOU-UHFFFAOYSA-N 1 3 289.467 3.108 20 10 CGCDHO C[C@H](NCCC[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000151951807 261057392 /nfs/dbraw/zinc/05/73/92/261057392.db2.gz BJZRDLLUAFHELZ-INIZCTEOSA-N 1 3 289.467 3.279 20 10 CGCDHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000247146637 617838336 /nfs/dbraw/zinc/83/83/36/617838336.db2.gz REKWXJJEGQCISP-QILLFSRXSA-N 1 3 289.467 3.276 20 10 CGCDHO CCCN(CCC)c1ccc(C[NH2+][C@H](C)[C@H](C)N)cc1 ZINC000841082168 622275736 /nfs/dbraw/zinc/27/57/36/622275736.db2.gz WOUYBEQMKDLFGE-LSDHHAIUSA-N 1 3 277.456 3.138 20 10 CGCDHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958970 632254632 /nfs/dbraw/zinc/25/46/32/632254632.db2.gz NVEINIRFRQHDAE-YJBOKZPZSA-N 1 3 289.467 3.311 20 10 CGCDHO C[C@@H]([NH3+])c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000817962876 632259179 /nfs/dbraw/zinc/25/91/79/632259179.db2.gz MLDHJEANVJLDQR-WBMJQRKESA-N 1 3 282.387 3.189 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]CCCC[NH+]1CCC(C)CC1 ZINC000876934021 634931178 /nfs/dbraw/zinc/93/11/78/634931178.db2.gz CHSABESZKSMYJE-UHFFFAOYSA-N 1 3 290.451 3.302 20 10 CGCDHO [NH3+]CCC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000841087208 635119961 /nfs/dbraw/zinc/11/99/61/635119961.db2.gz PSDTYHICEKGEBP-MRXNPFEDSA-N 1 3 288.366 3.101 20 10 CGCDHO C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[O-] ZINC000877755611 635184640 /nfs/dbraw/zinc/18/46/40/635184640.db2.gz HXGHNAQXYWBDAW-CQSZACIVSA-N 1 3 297.402 3.107 20 10 CGCDHO C[C@@H]1C[C@@H]([NH2+]CCCCCC[NH3+])c2c1c(F)ccc2[O-] ZINC000843341121 635648923 /nfs/dbraw/zinc/64/89/23/635648923.db2.gz GXFDMEKYAOPQGE-DGCLKSJQSA-N 1 3 280.387 3.188 20 10 CGCDHO Cc1ccc(O)c([C@@H](C)NCc2ccc(C[NH3+])cc2F)c1 ZINC000844923746 635986160 /nfs/dbraw/zinc/98/61/60/635986160.db2.gz JTCIXXNLLBKBLG-GFCCVEGCSA-N 1 3 288.366 3.149 20 10 CGCDHO [NH3+]CC1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001205052726 812839916 /nfs/dbraw/zinc/83/99/16/812839916.db2.gz AQXDWLSRHRLCKV-UHFFFAOYSA-N 1 3 296.414 3.230 20 10 CGCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCCC[NH2+]C(C)C ZINC001325745632 934927097 /nfs/dbraw/zinc/92/70/97/934927097.db2.gz YVLWQXLDFNXDKL-UONOGXRCSA-N 1 3 276.424 3.227 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c([O-])c1C ZINC000273561332 378752442 /nfs/dbraw/zinc/75/24/42/378752442.db2.gz IDSYCNQBOHYMKN-HNNXBMFYSA-N 1 3 290.451 3.392 20 10 CGCDHO C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)c2c1c(F)ccc2[O-] ZINC000756501377 626710475 /nfs/dbraw/zinc/71/04/75/626710475.db2.gz CODGJEBLDDIQNE-YPMHNXCESA-N 1 3 280.387 3.011 20 10 CGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000773756975 627911184 /nfs/dbraw/zinc/91/11/84/627911184.db2.gz XYFBWJHFDJQQLW-MAUKXSAKSA-N 1 3 289.467 3.057 20 10 CGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000773756975 627911191 /nfs/dbraw/zinc/91/11/91/627911191.db2.gz XYFBWJHFDJQQLW-MAUKXSAKSA-N 1 3 289.467 3.057 20 10 CGCDHO C[C@@H](NCCC[NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000817938726 632239621 /nfs/dbraw/zinc/23/96/21/632239621.db2.gz QZHQSWPNLYCTDS-OAHLLOKOSA-N 1 3 275.440 3.066 20 10 CGCDHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817962717 632257212 /nfs/dbraw/zinc/25/72/12/632257212.db2.gz NNUGLADORCASEO-ZIAGYGMSSA-N 1 3 293.430 3.061 20 10 CGCDHO C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817976998 632268713 /nfs/dbraw/zinc/26/87/13/632268713.db2.gz YVKANSHGNGEWKJ-NQBHXWOUSA-N 1 3 280.387 3.187 20 10 CGCDHO C[C@@H](NCCC[NH2+]C1CC1)c1cc2c(cc1O)CCCC2 ZINC000817983855 632272977 /nfs/dbraw/zinc/27/29/77/632272977.db2.gz KACZUOMPRQNJNQ-CYBMUJFWSA-N 1 3 288.435 3.064 20 10 CGCDHO C[C@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000844925547 635985809 /nfs/dbraw/zinc/98/58/09/635985809.db2.gz ROTIDFFWQUTLKX-FZMZJTMJSA-N 1 3 292.398 3.059 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(C)(C)[NH3+])c1[O-] ZINC000925737485 638589166 /nfs/dbraw/zinc/58/91/66/638589166.db2.gz JEFLJGRONMFLTB-JTQLQIEISA-N 1 3 270.804 3.132 20 10 CGCDHO CCN(Cc1ccc(N(C)C)cc1)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246927549 804603916 /nfs/dbraw/zinc/60/39/16/804603916.db2.gz WQQATVCOOATIQO-JLVBRIDZSA-N 1 3 289.467 3.104 20 10 CGCDHO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246927549 804603917 /nfs/dbraw/zinc/60/39/17/804603917.db2.gz WQQATVCOOATIQO-JLVBRIDZSA-N 1 3 289.467 3.104 20 10 CGCDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246927549 804603920 /nfs/dbraw/zinc/60/39/20/804603920.db2.gz WQQATVCOOATIQO-JLVBRIDZSA-N 1 3 289.467 3.104 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c([O-])c1 ZINC001205652842 813041557 /nfs/dbraw/zinc/04/15/57/813041557.db2.gz RIUYMPHQFJXNPQ-ZBFHGGJFSA-N 1 3 290.451 3.322 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c([O-])c1 ZINC001205652842 813041559 /nfs/dbraw/zinc/04/15/59/813041559.db2.gz RIUYMPHQFJXNPQ-ZBFHGGJFSA-N 1 3 290.451 3.322 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c([O-])c1 ZINC001206326438 813289676 /nfs/dbraw/zinc/28/96/76/813289676.db2.gz NLDOIVUOSBZXQW-GOSISDBHSA-N 1 3 290.451 3.467 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c([O-])c1 ZINC001206326438 813289683 /nfs/dbraw/zinc/28/96/83/813289683.db2.gz NLDOIVUOSBZXQW-GOSISDBHSA-N 1 3 290.451 3.467 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC001235675297 819135300 /nfs/dbraw/zinc/13/53/00/819135300.db2.gz VJGSFBYUPWTZHJ-SFHVURJKSA-N 1 3 297.446 3.265 20 10 CGCDHO Cc1cc(C[N@@H+]2CCC[C@H]2CN)c(C)n1-c1ccccc1 ZINC001235724834 819153626 /nfs/dbraw/zinc/15/36/26/819153626.db2.gz JSCIMUPMPGEKHA-SFHVURJKSA-N 1 3 283.419 3.017 20 10 CGCDHO Cc1cc(C[N@H+]2CCC[C@H]2CN)c(C)n1-c1ccccc1 ZINC001235724834 819153628 /nfs/dbraw/zinc/15/36/28/819153628.db2.gz JSCIMUPMPGEKHA-SFHVURJKSA-N 1 3 283.419 3.017 20 10 CGCDHO CN(Cc1ccc(C(C)(C)C)cc1O)C[C@@H]1CCC[NH2+]C1 ZINC001235957292 819245987 /nfs/dbraw/zinc/24/59/87/819245987.db2.gz MDFQHQMNGNDJAV-CQSZACIVSA-N 1 3 290.451 3.121 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)c([O-])c1C ZINC000273468101 378748101 /nfs/dbraw/zinc/74/81/01/378748101.db2.gz FGFKURPLNOFIIW-CQSZACIVSA-N 1 3 264.413 3.001 20 10 CGCDHO CC(C)N(C)CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000221913549 393008710 /nfs/dbraw/zinc/00/87/10/393008710.db2.gz QTMWHPDOBKXVQK-HNNXBMFYSA-N 1 3 277.456 3.134 20 10 CGCDHO C[NH2+]Cc1ccccc1CNCc1ccc2c(c1)CCCO2 ZINC000904376408 621916695 /nfs/dbraw/zinc/91/66/95/621916695.db2.gz RKZIVWVZXLRSMV-UHFFFAOYSA-N 1 3 296.414 3.021 20 10 CGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000773756972 627911077 /nfs/dbraw/zinc/91/10/77/627911077.db2.gz XYFBWJHFDJQQLW-CRAIPNDOSA-N 1 3 289.467 3.057 20 10 CGCDHO CCN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000773756972 627911081 /nfs/dbraw/zinc/91/10/81/627911081.db2.gz XYFBWJHFDJQQLW-CRAIPNDOSA-N 1 3 289.467 3.057 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1[O-] ZINC000817946533 632243405 /nfs/dbraw/zinc/24/34/05/632243405.db2.gz YSGWGJUSLLKMRU-RYUDHWBXSA-N 1 3 282.815 3.004 20 10 CGCDHO CC(C)[NH2+]CCCN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000817953758 632249592 /nfs/dbraw/zinc/24/95/92/632249592.db2.gz QOGZMAFDKSIMBJ-CQSZACIVSA-N 1 3 290.451 3.310 20 10 CGCDHO C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000817963227 632259107 /nfs/dbraw/zinc/25/91/07/632259107.db2.gz PPBDUOGCCXLSNO-NEPJUHHUSA-N 1 3 288.366 3.402 20 10 CGCDHO CC[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000817985371 632274491 /nfs/dbraw/zinc/27/44/91/632274491.db2.gz JIZBPMMPCQPMQV-INIZCTEOSA-N 1 3 274.408 3.051 20 10 CGCDHO C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccccc1[O-] ZINC000873235611 634295602 /nfs/dbraw/zinc/29/56/02/634295602.db2.gz QLCTUQNYWYDTHH-HOCLYGCPSA-N 1 3 284.403 3.003 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000840935290 635085136 /nfs/dbraw/zinc/08/51/36/635085136.db2.gz KRUZGBBXQMGRFJ-SJORKVTESA-N 1 3 289.467 3.023 20 10 CGCDHO C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000844923521 635984918 /nfs/dbraw/zinc/98/49/18/635984918.db2.gz IQGBZDBJUZOZSN-LBPRGKRZSA-N 1 3 288.366 3.102 20 10 CGCDHO Cc1ccc([C@H](C)NCCC[N@@H+](C)CC(C)C)c(O)c1 ZINC000846178429 636153870 /nfs/dbraw/zinc/15/38/70/636153870.db2.gz VDMFILJFUMMZAY-HNNXBMFYSA-N 1 3 278.440 3.329 20 10 CGCDHO Cc1ccc([C@H](C)NCCC[N@H+](C)CC(C)C)c(O)c1 ZINC000846178429 636153874 /nfs/dbraw/zinc/15/38/74/636153874.db2.gz VDMFILJFUMMZAY-HNNXBMFYSA-N 1 3 278.440 3.329 20 10 CGCDHO CCc1cccc(CNCC[C@@H](C)[NH+]2CCCCC2)c1O ZINC000848901862 636683149 /nfs/dbraw/zinc/68/31/49/636683149.db2.gz FGEJQEDHZJDHFO-OAHLLOKOSA-N 1 3 290.451 3.309 20 10 CGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC001206021729 813169253 /nfs/dbraw/zinc/16/92/53/813169253.db2.gz AULKEEXDAFCRNQ-STQMWFEESA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC001206021729 813169259 /nfs/dbraw/zinc/16/92/59/813169259.db2.gz AULKEEXDAFCRNQ-STQMWFEESA-N 1 3 296.842 3.161 20 10 CGCDHO [O-]c1ccccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161842 816366154 /nfs/dbraw/zinc/36/61/54/816366154.db2.gz RJLSOWARUNYZGY-SFHVURJKSA-N 1 3 288.435 3.138 20 10 CGCDHO [O-]c1ccccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222161842 816366159 /nfs/dbraw/zinc/36/61/59/816366159.db2.gz RJLSOWARUNYZGY-SFHVURJKSA-N 1 3 288.435 3.138 20 10 CGCDHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(N2CCCC2)cc1 ZINC001326222749 934961126 /nfs/dbraw/zinc/96/11/26/934961126.db2.gz RHLIGIRECCVFAR-JLYLLQBASA-N 1 3 299.462 3.131 20 10 CGCDHO CC(C)c1ccc([O-])c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC001474386973 937856678 /nfs/dbraw/zinc/85/66/78/937856678.db2.gz JZLMTWNGHAHNCL-UHFFFAOYSA-N 1 3 290.451 3.337 20 10 CGCDHO CC(C)N(C)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000221913608 376223642 /nfs/dbraw/zinc/22/36/42/376223642.db2.gz QTMWHPDOBKXVQK-OAHLLOKOSA-N 1 3 277.456 3.134 20 10 CGCDHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273438490 378746301 /nfs/dbraw/zinc/74/63/01/378746301.db2.gz XTQARVHRMCBSEP-HZPDHXFCSA-N 1 3 290.451 3.392 20 10 CGCDHO CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1[O-] ZINC000278340310 522575324 /nfs/dbraw/zinc/57/53/24/522575324.db2.gz CKQWQNWKPPWVTK-KRWDZBQOSA-N 1 3 288.435 3.307 20 10 CGCDHO Cc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1[O-] ZINC000158026608 524385824 /nfs/dbraw/zinc/38/58/24/524385824.db2.gz KOZUNSWJKYRULT-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(C)cc1[O-] ZINC000840809347 626192698 /nfs/dbraw/zinc/19/26/98/626192698.db2.gz JRUGZIQXLJPPOG-WBVHZDCISA-N 1 3 290.451 3.473 20 10 CGCDHO CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1[O-] ZINC000840809347 626192702 /nfs/dbraw/zinc/19/27/02/626192702.db2.gz JRUGZIQXLJPPOG-WBVHZDCISA-N 1 3 290.451 3.473 20 10 CGCDHO CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000778999192 628382067 /nfs/dbraw/zinc/38/20/67/628382067.db2.gz ACVNBJJFGCESJP-UHFFFAOYSA-N 1 3 294.414 3.084 20 10 CGCDHO CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000778999192 628382071 /nfs/dbraw/zinc/38/20/71/628382071.db2.gz ACVNBJJFGCESJP-UHFFFAOYSA-N 1 3 294.414 3.084 20 10 CGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000817888237 632229249 /nfs/dbraw/zinc/22/92/49/632229249.db2.gz KAVHLMLPZBKFBK-MAUKXSAKSA-N 1 3 289.467 3.011 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1[O-] ZINC000817946532 632243683 /nfs/dbraw/zinc/24/36/83/632243683.db2.gz YSGWGJUSLLKMRU-NWDGAFQWSA-N 1 3 282.815 3.004 20 10 CGCDHO CC[C@@H]([NH2+]CC(N)(CC)CC)c1ccc(N(C)C)cc1 ZINC000817961176 632257487 /nfs/dbraw/zinc/25/74/87/632257487.db2.gz YJIZORVKRYVABH-MRXNPFEDSA-N 1 3 277.456 3.311 20 10 CGCDHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965213 632259921 /nfs/dbraw/zinc/25/99/21/632259921.db2.gz NVJFXLNQSNBONB-RDTXWAMCSA-N 1 3 287.451 3.065 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c([O-])c1 ZINC000817965178 632260206 /nfs/dbraw/zinc/26/02/06/632260206.db2.gz QSGKKAKYBXRHLH-AWEZNQCLSA-N 1 3 276.424 3.049 20 10 CGCDHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817978090 632268702 /nfs/dbraw/zinc/26/87/02/632268702.db2.gz VTMHZRXCHDPOBH-RDBSUJKOSA-N 1 3 293.430 3.202 20 10 CGCDHO CC[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982689 632272997 /nfs/dbraw/zinc/27/29/97/632272997.db2.gz VLYRMILYHXIJIJ-ZWKOTPCHSA-N 1 3 289.467 3.311 20 10 CGCDHO CC[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982687 632273367 /nfs/dbraw/zinc/27/33/67/632273367.db2.gz VLYRMILYHXIJIJ-QZTJIDSGSA-N 1 3 289.467 3.311 20 10 CGCDHO CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccccc1[O-] ZINC000834908962 634284630 /nfs/dbraw/zinc/28/46/30/634284630.db2.gz NMFZEZUDIOOKHI-MRXNPFEDSA-N 1 3 276.424 3.307 20 10 CGCDHO CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1[O-] ZINC000834908962 634284633 /nfs/dbraw/zinc/28/46/33/634284633.db2.gz NMFZEZUDIOOKHI-MRXNPFEDSA-N 1 3 276.424 3.307 20 10 CGCDHO C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1[O-] ZINC000873235609 634295774 /nfs/dbraw/zinc/29/57/74/634295774.db2.gz QLCTUQNYWYDTHH-GDBMZVCRSA-N 1 3 284.403 3.003 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c(O)c1 ZINC000858490788 638741323 /nfs/dbraw/zinc/74/13/23/638741323.db2.gz OKYUPWWGSXFCLD-JKSUJKDBSA-N 1 3 290.451 3.392 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000247017378 640707089 /nfs/dbraw/zinc/70/70/89/640707089.db2.gz LNUIWBKHZZEBIQ-CVEARBPZSA-N 1 3 289.467 3.135 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)NC[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000247017378 640707092 /nfs/dbraw/zinc/70/70/92/640707092.db2.gz LNUIWBKHZZEBIQ-CVEARBPZSA-N 1 3 289.467 3.135 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000247017378 640707097 /nfs/dbraw/zinc/70/70/97/640707097.db2.gz LNUIWBKHZZEBIQ-CVEARBPZSA-N 1 3 289.467 3.135 20 10 CGCDHO Cc1c(C[N@H+](C)[C@H]2CCCC[C@H]2N)c2ccccc2n1C ZINC001236214177 819376687 /nfs/dbraw/zinc/37/66/87/819376687.db2.gz COFMSAWJWMMJKP-AEFFLSMTSA-N 1 3 285.435 3.188 20 10 CGCDHO Cc1c(C[N@@H+](C)[C@H]2CCCC[C@H]2N)c2ccccc2n1C ZINC001236214177 819376691 /nfs/dbraw/zinc/37/66/91/819376691.db2.gz COFMSAWJWMMJKP-AEFFLSMTSA-N 1 3 285.435 3.188 20 10 CGCDHO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000185357981 374646715 /nfs/dbraw/zinc/64/67/15/374646715.db2.gz WHBODUXBWUDHCV-CVEARBPZSA-N 1 3 290.451 3.472 20 10 CGCDHO COc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1C ZINC000299352732 524069183 /nfs/dbraw/zinc/06/91/83/524069183.db2.gz SCIPWLRYUCAKKB-UHFFFAOYSA-N 1 3 288.435 3.110 20 10 CGCDHO CCN(CC)c1ccc(C[NH2+]CC(N)(CC)CC)cc1 ZINC000841030679 620408558 /nfs/dbraw/zinc/40/85/58/620408558.db2.gz KAEKTRQLRWAPHC-UHFFFAOYSA-N 1 3 277.456 3.140 20 10 CGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000773756978 627911036 /nfs/dbraw/zinc/91/10/36/627911036.db2.gz XYFBWJHFDJQQLW-QAPCUYQASA-N 1 3 289.467 3.057 20 10 CGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000773756978 627911038 /nfs/dbraw/zinc/91/10/38/627911038.db2.gz XYFBWJHFDJQQLW-QAPCUYQASA-N 1 3 289.467 3.057 20 10 CGCDHO CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000775504498 628101913 /nfs/dbraw/zinc/10/19/13/628101913.db2.gz ZCDRWZDOXLREAC-WFASDCNBSA-N 1 3 296.842 3.428 20 10 CGCDHO CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000775504498 628101915 /nfs/dbraw/zinc/10/19/15/628101915.db2.gz ZCDRWZDOXLREAC-WFASDCNBSA-N 1 3 296.842 3.428 20 10 CGCDHO CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C)cc1[O-] ZINC000794812074 629580141 /nfs/dbraw/zinc/58/01/41/629580141.db2.gz ZPVXWAUODWPZHR-MRXNPFEDSA-N 1 3 276.424 3.083 20 10 CGCDHO Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000817974503 632265729 /nfs/dbraw/zinc/26/57/29/632265729.db2.gz BEEMHBKPOGEZOJ-RBSFLKMASA-N 1 3 276.424 3.116 20 10 CGCDHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978809 632269971 /nfs/dbraw/zinc/26/99/71/632269971.db2.gz DZJIFWBDWCNQBO-GOEBONIOSA-N 1 3 275.440 3.065 20 10 CGCDHO CCN(CC)c1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000841057111 635115604 /nfs/dbraw/zinc/11/56/04/635115604.db2.gz IIETUUQDHRWJJZ-GJZGRUSLSA-N 1 3 293.430 3.031 20 10 CGCDHO CCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556136 637120260 /nfs/dbraw/zinc/12/02/60/637120260.db2.gz QYNAHGLWWTZJCE-WBVHZDCISA-N 1 3 289.467 3.278 20 10 CGCDHO CCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556136 637120271 /nfs/dbraw/zinc/12/02/71/637120271.db2.gz QYNAHGLWWTZJCE-WBVHZDCISA-N 1 3 289.467 3.278 20 10 CGCDHO Cc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c([O-])c1 ZINC001119979977 802718719 /nfs/dbraw/zinc/71/87/19/802718719.db2.gz AEWBQLYWWOZJMI-UHFFFAOYSA-N 1 3 288.435 3.197 20 10 CGCDHO CCN(Cc1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246920133 804601009 /nfs/dbraw/zinc/60/10/09/804601009.db2.gz JFMRFDFYNZMTBU-KRWDZBQOSA-N 1 3 289.467 3.105 20 10 CGCDHO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCNC(C)(C)C1 ZINC001246920133 804601012 /nfs/dbraw/zinc/60/10/12/804601012.db2.gz JFMRFDFYNZMTBU-KRWDZBQOSA-N 1 3 289.467 3.105 20 10 CGCDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCNC(C)(C)C1 ZINC001246920133 804601013 /nfs/dbraw/zinc/60/10/13/804601013.db2.gz JFMRFDFYNZMTBU-KRWDZBQOSA-N 1 3 289.467 3.105 20 10 CGCDHO Cc1cc(CN2CCCC[C@@](C)(C[NH3+])C2)ccc1N(C)C ZINC001206556782 813351322 /nfs/dbraw/zinc/35/13/22/813351322.db2.gz XEJRZVZUZFIWIO-SFHVURJKSA-N 1 3 289.467 3.012 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC001236605921 819549970 /nfs/dbraw/zinc/54/99/70/819549970.db2.gz WYLINLVDEBHQEE-LJQANCHMSA-N 1 3 297.446 3.265 20 10 CGCDHO CC(C)(C)c1cccc(CN2CCC[C@](C)(C[NH3+])C2)c1O ZINC001237056077 819654652 /nfs/dbraw/zinc/65/46/52/819654652.db2.gz GBZLQJDQLGDZQX-GOSISDBHSA-N 1 3 290.451 3.251 20 10 CGCDHO CC(C)c1ccc(C[NH+]2CCC3(CN(C)C3)CC2)c(O)c1 ZINC001237054587 819655394 /nfs/dbraw/zinc/65/53/94/819655394.db2.gz CXLSMGOEDZGFNY-UHFFFAOYSA-N 1 3 288.435 3.043 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(C)c1[O-] ZINC000159731553 372173560 /nfs/dbraw/zinc/17/35/60/372173560.db2.gz SELSPFZQGRJBMP-HNNXBMFYSA-N 1 3 278.440 3.301 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCCC2)c(O)c1 ZINC000293756319 372471415 /nfs/dbraw/zinc/47/14/15/372471415.db2.gz OPFXKGMSGRDOHL-OAHLLOKOSA-N 1 3 276.424 3.146 20 10 CGCDHO Cc1cccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1[O-] ZINC000180481442 374012194 /nfs/dbraw/zinc/01/21/94/374012194.db2.gz UWRAXOCHAPJSLX-UHFFFAOYSA-N 1 3 290.451 3.254 20 10 CGCDHO CN(C)c1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC000037786419 522206474 /nfs/dbraw/zinc/20/64/74/522206474.db2.gz JHZUDULYOFPNLU-UHFFFAOYSA-N 1 3 289.467 3.105 20 10 CGCDHO CC[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(C)cc1[O-] ZINC000280241236 522825826 /nfs/dbraw/zinc/82/58/26/522825826.db2.gz VZKVFYBIONZZKB-OAHLLOKOSA-N 1 3 264.413 3.083 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c([O-])c1 ZINC000788595465 629067411 /nfs/dbraw/zinc/06/74/11/629067411.db2.gz UGLOUIKRTVAXHZ-CQSZACIVSA-N 1 3 276.424 3.001 20 10 CGCDHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958967 632254731 /nfs/dbraw/zinc/25/47/31/632254731.db2.gz NVEINIRFRQHDAE-CRAIPNDOSA-N 1 3 289.467 3.311 20 10 CGCDHO CCCC[C@@H](C[NH3+])N[C@H](CC)c1ccc(N(C)C)cc1 ZINC000817962523 632257978 /nfs/dbraw/zinc/25/79/78/632257978.db2.gz JNWNHIIRVRYFCZ-DOTOQJQBSA-N 1 3 277.456 3.311 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000817976934 632268759 /nfs/dbraw/zinc/26/87/59/632268759.db2.gz XEGYSERRECFTQD-RISCZKNCSA-N 1 3 294.826 3.147 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c([O-])c1 ZINC000873245709 634299442 /nfs/dbraw/zinc/29/94/42/634299442.db2.gz TXLJMFRJOQBPIH-ZIAGYGMSSA-N 1 3 276.424 3.129 20 10 CGCDHO CC[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C)cc1[O-] ZINC000873261835 634309354 /nfs/dbraw/zinc/30/93/54/634309354.db2.gz SGHIAVCCOFHFLS-IVSAIRAKSA-N 1 3 288.435 3.272 20 10 CGCDHO Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c([O-])c1 ZINC000876933244 634930434 /nfs/dbraw/zinc/93/04/34/634930434.db2.gz JWARBAJNTIVRAD-MRXNPFEDSA-N 1 3 290.451 3.302 20 10 CGCDHO Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c([O-])c1 ZINC000876933244 634930437 /nfs/dbraw/zinc/93/04/37/634930437.db2.gz JWARBAJNTIVRAD-MRXNPFEDSA-N 1 3 290.451 3.302 20 10 CGCDHO Cc1cc(Cl)cc(CN(C)CC[C@@H]([NH3+])C(C)C)c1O ZINC000843056435 635553159 /nfs/dbraw/zinc/55/31/59/635553159.db2.gz JUOVRTRRIUXMDJ-CQSZACIVSA-N 1 3 284.831 3.159 20 10 CGCDHO C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccc1[O-] ZINC000925886641 638644330 /nfs/dbraw/zinc/64/43/30/638644330.db2.gz JOHOUVMAMFXAGX-OGWOLHLISA-N 1 3 296.414 3.102 20 10 CGCDHO CC[C@@H]1C[C@H](NCc2c(C)cc(C)cc2O)C[C@H](CC)[NH2+]1 ZINC001246343671 804296623 /nfs/dbraw/zinc/29/66/23/804296623.db2.gz NSVKNIIHZQFIGG-ZSHCYNCHSA-N 1 3 290.451 3.408 20 10 CGCDHO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2N)c(O)c1 ZINC001236219220 819386153 /nfs/dbraw/zinc/38/61/53/819386153.db2.gz USHJFGABQXOEIQ-JKSUJKDBSA-N 1 3 276.424 3.217 20 10 CGCDHO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2N)c(O)c1 ZINC001236219220 819386159 /nfs/dbraw/zinc/38/61/59/819386159.db2.gz USHJFGABQXOEIQ-JKSUJKDBSA-N 1 3 276.424 3.217 20 10 CGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCCC[NH2+]C(C)C ZINC001325745633 934927258 /nfs/dbraw/zinc/92/72/58/934927258.db2.gz YVLWQXLDFNXDKL-ZIAGYGMSSA-N 1 3 276.424 3.227 20 10 CGCDHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185563878 374688453 /nfs/dbraw/zinc/68/84/53/374688453.db2.gz XBDVTPJSHVMYJM-HNNXBMFYSA-N 1 3 290.451 3.473 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[O-] ZINC000157597055 522757719 /nfs/dbraw/zinc/75/77/19/522757719.db2.gz MRQNQKGSIPYRBT-LZWOXQAQSA-N 1 3 274.408 3.060 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1[O-] ZINC000157597055 522757725 /nfs/dbraw/zinc/75/77/25/522757725.db2.gz MRQNQKGSIPYRBT-LZWOXQAQSA-N 1 3 274.408 3.060 20 10 CGCDHO CC[C@H](c1ccc(C)cc1[O-])[NH+]1CCC([NH3+])(CC)CC1 ZINC000925757765 619221003 /nfs/dbraw/zinc/22/10/03/619221003.db2.gz JIUQNOYYGLRMLG-OAHLLOKOSA-N 1 3 276.424 3.355 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c([O-])c1 ZINC000840808330 626179705 /nfs/dbraw/zinc/17/97/05/626179705.db2.gz BEXRVSDOTIQAGC-GJZGRUSLSA-N 1 3 276.424 3.083 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c([O-])c1 ZINC000840808330 626179710 /nfs/dbraw/zinc/17/97/10/626179710.db2.gz BEXRVSDOTIQAGC-GJZGRUSLSA-N 1 3 276.424 3.083 20 10 CGCDHO CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccccc1[O-] ZINC000839182923 626327095 /nfs/dbraw/zinc/32/70/95/626327095.db2.gz RTXWYXSZOYBTMU-ZBFHGGJFSA-N 1 3 276.424 3.165 20 10 CGCDHO CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1[O-] ZINC000839182923 626327098 /nfs/dbraw/zinc/32/70/98/626327098.db2.gz RTXWYXSZOYBTMU-ZBFHGGJFSA-N 1 3 276.424 3.165 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1[O-] ZINC000817954068 632249503 /nfs/dbraw/zinc/24/95/03/632249503.db2.gz BDYQJDJRTSMTKT-NEPJUHHUSA-N 1 3 282.815 3.004 20 10 CGCDHO CC[C@@H](N[C@H](C[NH3+])CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958176 632253772 /nfs/dbraw/zinc/25/37/72/632253772.db2.gz IMYVHLFOJMTCJF-DOTOQJQBSA-N 1 3 277.456 3.167 20 10 CGCDHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965212 632260374 /nfs/dbraw/zinc/26/03/74/632260374.db2.gz NVJFXLNQSNBONB-KSSFIOAISA-N 1 3 287.451 3.065 20 10 CGCDHO C[C@@H](NCC[C@H]1CCC[NH2+]1)c1cc2c(cc1O)CCCC2 ZINC000817968016 632261493 /nfs/dbraw/zinc/26/14/93/632261493.db2.gz GARLNMWZYUGKDM-CZUORRHYSA-N 1 3 288.435 3.064 20 10 CGCDHO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(F)ccc1[O-] ZINC000834908185 634283143 /nfs/dbraw/zinc/28/31/43/634283143.db2.gz HVUVKVXFCFCZPJ-GFCCVEGCSA-N 1 3 280.387 3.056 20 10 CGCDHO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)ccc1[O-] ZINC000834908185 634283148 /nfs/dbraw/zinc/28/31/48/634283148.db2.gz HVUVKVXFCFCZPJ-GFCCVEGCSA-N 1 3 280.387 3.056 20 10 CGCDHO CCCN(CCC)c1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000843048833 635549357 /nfs/dbraw/zinc/54/93/57/635549357.db2.gz ZQSRJMLMANXCHD-KRWDZBQOSA-N 1 3 289.467 3.094 20 10 CGCDHO C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccccc1[O-] ZINC000925886642 638643841 /nfs/dbraw/zinc/64/38/41/638643841.db2.gz JOHOUVMAMFXAGX-URLQWDBASA-N 1 3 296.414 3.102 20 10 CGCDHO C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490723 638741288 /nfs/dbraw/zinc/74/12/88/638741288.db2.gz MOJOMINCHYBOAR-HZPDHXFCSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490723 638741291 /nfs/dbraw/zinc/74/12/91/638741291.db2.gz MOJOMINCHYBOAR-HZPDHXFCSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000858490723 638741292 /nfs/dbraw/zinc/74/12/92/638741292.db2.gz MOJOMINCHYBOAR-HZPDHXFCSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@@H]1CCNCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205325196 812956556 /nfs/dbraw/zinc/95/65/56/812956556.db2.gz LOCPBSYQTICPCS-OAHLLOKOSA-N 1 3 297.446 3.090 20 10 CGCDHO C[C@@H]1CCNCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205325196 812956558 /nfs/dbraw/zinc/95/65/58/812956558.db2.gz LOCPBSYQTICPCS-OAHLLOKOSA-N 1 3 297.446 3.090 20 10 CGCDHO C[C@@H]1CC[C@@H](N)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892262 819201362 /nfs/dbraw/zinc/20/13/62/819201362.db2.gz OECGTSUYBSOHMD-GDBMZVCRSA-N 1 3 297.446 3.217 20 10 CGCDHO C[C@@H]1CC[C@@H](N)C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892262 819201368 /nfs/dbraw/zinc/20/13/68/819201368.db2.gz OECGTSUYBSOHMD-GDBMZVCRSA-N 1 3 297.446 3.217 20 10 CGCDHO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCCN1 ZINC001236094744 819314248 /nfs/dbraw/zinc/31/42/48/819314248.db2.gz ILGCRYIHNWIVHK-HNNXBMFYSA-N 1 3 297.446 3.090 20 10 CGCDHO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCCN1 ZINC001236094744 819314256 /nfs/dbraw/zinc/31/42/56/819314256.db2.gz ILGCRYIHNWIVHK-HNNXBMFYSA-N 1 3 297.446 3.090 20 10 CGCDHO CCN(CC)c1ccc(CNC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000022935915 368814619 /nfs/dbraw/zinc/81/46/19/368814619.db2.gz GYVRINJUSAZLKL-GOSISDBHSA-N 1 3 289.467 3.107 20 10 CGCDHO CCN(CC)c1ccc(CNC[C@H]2CCC[N@H+]2CC)cc1 ZINC000022935915 368814626 /nfs/dbraw/zinc/81/46/26/368814626.db2.gz GYVRINJUSAZLKL-GOSISDBHSA-N 1 3 289.467 3.107 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000019915015 368783761 /nfs/dbraw/zinc/78/37/61/368783761.db2.gz TUHNBYIXKGVKAM-AWEZNQCLSA-N 1 3 294.439 3.001 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c([O-])c1 ZINC000278386471 525724878 /nfs/dbraw/zinc/72/48/78/525724878.db2.gz FNOSRXDWZGNJRM-CQSZACIVSA-N 1 3 288.435 3.226 20 10 CGCDHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(N(C)C)cc1 ZINC000163264783 620210455 /nfs/dbraw/zinc/21/04/55/620210455.db2.gz CBBSQMSMCWQQHP-QAPCUYQASA-N 1 3 289.467 3.135 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c([O-])c1 ZINC000817976401 632267849 /nfs/dbraw/zinc/26/78/49/632267849.db2.gz LHAMVSZDRXUUNC-UONOGXRCSA-N 1 3 264.413 3.177 20 10 CGCDHO CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[O-] ZINC000873245700 634299246 /nfs/dbraw/zinc/29/92/46/634299246.db2.gz TXGQXZHCIUWHAT-UKRRQHHQSA-N 1 3 276.424 3.211 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000876933249 634930583 /nfs/dbraw/zinc/93/05/83/634930583.db2.gz JZEPCLYZODHLJM-OAHLLOKOSA-N 1 3 290.451 3.302 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000876933249 634930589 /nfs/dbraw/zinc/93/05/89/634930589.db2.gz JZEPCLYZODHLJM-OAHLLOKOSA-N 1 3 290.451 3.302 20 10 CGCDHO CC[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000844927346 635986858 /nfs/dbraw/zinc/98/68/58/635986858.db2.gz YUWCTZZWWACDDA-MRXNPFEDSA-N 1 3 276.424 3.131 20 10 CGCDHO C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2c1c(F)ccc2[O-] ZINC000848557918 636605386 /nfs/dbraw/zinc/60/53/86/636605386.db2.gz LSWAPVKIMPWWLR-CIQGVGRVSA-N 1 3 292.398 3.009 20 10 CGCDHO CCCC[N@H+](CC)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139253106 804169953 /nfs/dbraw/zinc/16/99/53/804169953.db2.gz LYVMLWUZBIMNNM-UHFFFAOYSA-N 1 3 294.439 3.084 20 10 CGCDHO CCCC[N@@H+](CC)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139253106 804169957 /nfs/dbraw/zinc/16/99/57/804169957.db2.gz LYVMLWUZBIMNNM-UHFFFAOYSA-N 1 3 294.439 3.084 20 10 CGCDHO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC001169107182 807577952 /nfs/dbraw/zinc/57/79/52/807577952.db2.gz FUZOZNOMSOANAN-QXRTWZOPSA-N 1 3 287.451 3.028 20 10 CGCDHO C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC001169107182 807577958 /nfs/dbraw/zinc/57/79/58/807577958.db2.gz FUZOZNOMSOANAN-QXRTWZOPSA-N 1 3 287.451 3.028 20 10 CGCDHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c([O-])c1 ZINC001205287897 812931995 /nfs/dbraw/zinc/93/19/95/812931995.db2.gz CUAKOZZVWZIOGB-SFHVURJKSA-N 1 3 290.451 3.393 20 10 CGCDHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c([O-])c1 ZINC001205287897 812931998 /nfs/dbraw/zinc/93/19/98/812931998.db2.gz CUAKOZZVWZIOGB-SFHVURJKSA-N 1 3 290.451 3.393 20 10 CGCDHO CC(C)c1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2N)c(O)c1 ZINC001236219217 819386796 /nfs/dbraw/zinc/38/67/96/819386796.db2.gz USHJFGABQXOEIQ-CVEARBPZSA-N 1 3 276.424 3.217 20 10 CGCDHO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2N)c(O)c1 ZINC001236219217 819386799 /nfs/dbraw/zinc/38/67/99/819386799.db2.gz USHJFGABQXOEIQ-CVEARBPZSA-N 1 3 276.424 3.217 20 10 CGCDHO C[C@@H]1[C@H](N)CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420486 819466959 /nfs/dbraw/zinc/46/69/59/819466959.db2.gz MTYHFOHBERDWCP-RDTXWAMCSA-N 1 3 297.446 3.217 20 10 CGCDHO C[C@@H]1[C@H](N)CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420486 819466965 /nfs/dbraw/zinc/46/69/65/819466965.db2.gz MTYHFOHBERDWCP-RDTXWAMCSA-N 1 3 297.446 3.217 20 10 CGCDHO CC(C)(C)c1ccc(O)c(CN2CCC[C@](C)(C[NH3+])C2)c1 ZINC001237080731 819662183 /nfs/dbraw/zinc/66/21/83/819662183.db2.gz IIONAYZAEULOLN-GOSISDBHSA-N 1 3 290.451 3.251 20 10 CGCDHO C[NH2+]C[C@H](C)CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC001325742114 934925964 /nfs/dbraw/zinc/92/59/64/934925964.db2.gz BOGZNVLPSMBUAH-HOTGVXAUSA-N 1 3 289.467 3.183 20 10 CGCDHO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccc1[O-] ZINC000293804320 372487386 /nfs/dbraw/zinc/48/73/86/372487386.db2.gz VGIKEXIVBTYXCS-HNNXBMFYSA-N 1 3 276.424 3.309 20 10 CGCDHO CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185564046 374687805 /nfs/dbraw/zinc/68/78/05/374687805.db2.gz JVCQHVGRAAEGEA-CYBMUJFWSA-N 1 3 294.414 3.304 20 10 CGCDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273382974 378743185 /nfs/dbraw/zinc/74/31/85/378743185.db2.gz ITVBVAHDJMTAPA-LSDHHAIUSA-N 1 3 276.424 3.001 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295923461 279101096 /nfs/dbraw/zinc/10/10/96/279101096.db2.gz JWNAETGUXLUHOG-GDBMZVCRSA-N 1 3 290.451 3.480 20 10 CGCDHO CC(C)[NH+]1CCC(N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000037236713 519673071 /nfs/dbraw/zinc/67/30/71/519673071.db2.gz MRQGLSHHHLGPCM-HNNXBMFYSA-N 1 3 289.467 3.276 20 10 CGCDHO CC[NH+](CC)C[C@H]1CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000164423061 622834459 /nfs/dbraw/zinc/83/44/59/622834459.db2.gz DHZBOCXULFSBAD-MRXNPFEDSA-N 1 3 290.451 3.173 20 10 CGCDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902432 632232890 /nfs/dbraw/zinc/23/28/90/632232890.db2.gz QLVPWCLFTWQYLK-JKSUJKDBSA-N 1 3 289.467 3.138 20 10 CGCDHO CC[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817966558 632261662 /nfs/dbraw/zinc/26/16/62/632261662.db2.gz QAOFPMBILYQFIX-ROUUACIJSA-N 1 3 289.467 3.183 20 10 CGCDHO CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(C)cc1[O-] ZINC000817977007 632268966 /nfs/dbraw/zinc/26/89/66/632268966.db2.gz YYOGWYDIKJZUNV-ZFWWWQNUSA-N 1 3 264.413 3.259 20 10 CGCDHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000873245967 634298997 /nfs/dbraw/zinc/29/89/97/634298997.db2.gz QPJZTVQUCCCZBA-ZBFHGGJFSA-N 1 3 289.467 3.181 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)c1[O-] ZINC000844921960 635985180 /nfs/dbraw/zinc/98/51/80/635985180.db2.gz XZEFOJWBHGOGFU-NSHDSACASA-N 1 3 282.815 3.134 20 10 CGCDHO CCc1cccc(C[N@H+](C)CC[C@H]2CCCCN2C)c1O ZINC000848888602 636676320 /nfs/dbraw/zinc/67/63/20/636676320.db2.gz XLABKCCHPMIBLD-QGZVFWFLSA-N 1 3 290.451 3.261 20 10 CGCDHO CCc1cccc(C[N@@H+](C)CC[C@H]2CCCCN2C)c1O ZINC000848888602 636676322 /nfs/dbraw/zinc/67/63/22/636676322.db2.gz XLABKCCHPMIBLD-QGZVFWFLSA-N 1 3 290.451 3.261 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c([O-])c1 ZINC000925841548 638629898 /nfs/dbraw/zinc/62/98/98/638629898.db2.gz QBHXSQWFLOCGOU-YXJHDRRASA-N 1 3 288.435 3.192 20 10 CGCDHO c1cc(N2CCCC2)ccc1CNC1CC[NH+](C2CC2)CC1 ZINC000393376139 799486337 /nfs/dbraw/zinc/48/63/37/799486337.db2.gz GWBZSFDYGZTHSV-UHFFFAOYSA-N 1 3 299.462 3.003 20 10 CGCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(N)CCCC1 ZINC001118608958 802589700 /nfs/dbraw/zinc/58/97/00/802589700.db2.gz MUWDPUVRAOJBQY-STQMWFEESA-N 1 3 274.408 3.110 20 10 CGCDHO C[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCCC[C@@H]1N ZINC001236219648 819386945 /nfs/dbraw/zinc/38/69/45/819386945.db2.gz XCVBUINXDAVXFY-JKSUJKDBSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCCC[C@@H]1N ZINC001236219648 819386950 /nfs/dbraw/zinc/38/69/50/819386950.db2.gz XCVBUINXDAVXFY-JKSUJKDBSA-N 1 3 290.451 3.391 20 10 CGCDHO CCN(Cc1cc(C(C)(C)C)ccc1O)C[C@H]1CC[NH2+]C1 ZINC001236408846 819456266 /nfs/dbraw/zinc/45/62/66/819456266.db2.gz PBNXXIADDJKLRW-AWEZNQCLSA-N 1 3 290.451 3.121 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226619030 376366862 /nfs/dbraw/zinc/36/68/62/376366862.db2.gz OFVWOJNZJIROQA-CYBMUJFWSA-N 1 3 282.403 3.131 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2)c(O)c1C ZINC000273432232 378746735 /nfs/dbraw/zinc/74/67/35/378746735.db2.gz WAPCVIVDZWWAMU-HNNXBMFYSA-N 1 3 276.424 3.146 20 10 CGCDHO Cc1cccc(CNCCC[N@H+]2CCCC[C@@H]2C)c1O ZINC000158078972 392554475 /nfs/dbraw/zinc/55/44/75/392554475.db2.gz HLYILNJJYWIZNY-HNNXBMFYSA-N 1 3 276.424 3.055 20 10 CGCDHO Cc1cccc(CNCCC[N@@H+]2CCCC[C@@H]2C)c1O ZINC000158078972 392554481 /nfs/dbraw/zinc/55/44/81/392554481.db2.gz HLYILNJJYWIZNY-HNNXBMFYSA-N 1 3 276.424 3.055 20 10 CGCDHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185563702 327841034 /nfs/dbraw/zinc/84/10/34/327841034.db2.gz SMZHBPOSUHIJGS-HNNXBMFYSA-N 1 3 290.451 3.473 20 10 CGCDHO Cc1cc(O)c(C[N@@H+](C)CC[C@H]2CCCCN2C)cc1C ZINC000093660003 619208376 /nfs/dbraw/zinc/20/83/76/619208376.db2.gz ROYBMFMLYFYWHX-QGZVFWFLSA-N 1 3 290.451 3.315 20 10 CGCDHO Cc1cc(O)c(C[N@H+](C)CC[C@H]2CCCCN2C)cc1C ZINC000093660003 619208381 /nfs/dbraw/zinc/20/83/81/619208381.db2.gz ROYBMFMLYFYWHX-QGZVFWFLSA-N 1 3 290.451 3.315 20 10 CGCDHO CC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817939077 632239164 /nfs/dbraw/zinc/23/91/64/632239164.db2.gz YOWMRPXBESSHDX-OALUTQOASA-N 1 3 297.446 3.493 20 10 CGCDHO [NH3+]CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817938892 632239387 /nfs/dbraw/zinc/23/93/87/632239387.db2.gz VEUOGCFJNSYWPT-QGZVFWFLSA-N 1 3 284.403 3.005 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1[O-] ZINC000817946534 632243188 /nfs/dbraw/zinc/24/31/88/632243188.db2.gz YSGWGJUSLLKMRU-VXGBXAGGSA-N 1 3 282.815 3.004 20 10 CGCDHO CC[C@@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(C)cc1[O-] ZINC000817951839 632248036 /nfs/dbraw/zinc/24/80/36/632248036.db2.gz BCDLRJSFJSAZAB-OAHLLOKOSA-N 1 3 264.413 3.129 20 10 CGCDHO Cc1cccc(O)c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000876756435 634892481 /nfs/dbraw/zinc/89/24/81/634892481.db2.gz RSQQFFNQPWCJON-MRXNPFEDSA-N 1 3 288.435 3.151 20 10 CGCDHO Cc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c([O-])c1 ZINC000876933692 634931461 /nfs/dbraw/zinc/93/14/61/634931461.db2.gz WPYHDTFEGLGGOU-INIZCTEOSA-N 1 3 290.451 3.445 20 10 CGCDHO Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c([O-])c1 ZINC000876933692 634931463 /nfs/dbraw/zinc/93/14/63/634931463.db2.gz WPYHDTFEGLGGOU-INIZCTEOSA-N 1 3 290.451 3.445 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c(O)c1 ZINC000858490785 638741489 /nfs/dbraw/zinc/74/14/89/638741489.db2.gz OKYUPWWGSXFCLD-CVEARBPZSA-N 1 3 290.451 3.392 20 10 CGCDHO CN(C)c1ccc(C[N@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000163369399 799082304 /nfs/dbraw/zinc/08/23/04/799082304.db2.gz LWICZXJQHKBDEI-SFHVURJKSA-N 1 3 289.467 3.059 20 10 CGCDHO CN(C)c1ccc(C[N@@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000163369399 799082311 /nfs/dbraw/zinc/08/23/11/799082311.db2.gz LWICZXJQHKBDEI-SFHVURJKSA-N 1 3 289.467 3.059 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c([O-])c1 ZINC001205652838 813041362 /nfs/dbraw/zinc/04/13/62/813041362.db2.gz RIUYMPHQFJXNPQ-GDBMZVCRSA-N 1 3 290.451 3.322 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c([O-])c1 ZINC001205652838 813041372 /nfs/dbraw/zinc/04/13/72/813041372.db2.gz RIUYMPHQFJXNPQ-GDBMZVCRSA-N 1 3 290.451 3.322 20 10 CGCDHO CCc1cccc(CN[C@@H](C)CC[NH+](CC)CC)c1O ZINC001207858037 813662128 /nfs/dbraw/zinc/66/21/28/813662128.db2.gz BTHSXLZQJBKINP-AWEZNQCLSA-N 1 3 278.440 3.165 20 10 CGCDHO Cc1c(CN2CC[C@]3(C2)CCC[NH2+]C3)c2ccccc2n1C ZINC001222148016 816360407 /nfs/dbraw/zinc/36/04/07/816360407.db2.gz HWENHFGWHURODN-LJQANCHMSA-N 1 3 297.446 3.062 20 10 CGCDHO CN(Cc1cc(C(C)(C)C)ccc1O)C[C@@H]1CCC[NH2+]C1 ZINC001235956239 819243960 /nfs/dbraw/zinc/24/39/60/819243960.db2.gz AYZPXOKSKBGSHY-CQSZACIVSA-N 1 3 290.451 3.121 20 10 CGCDHO CCC[N@H+](Cc1c(C)n(C)c2ccccc21)C1CCNCC1 ZINC001236181701 819359395 /nfs/dbraw/zinc/35/93/95/819359395.db2.gz BILFWBKNTKCESF-UHFFFAOYSA-N 1 3 299.462 3.451 20 10 CGCDHO CCC[N@@H+](Cc1c(C)n(C)c2ccccc21)C1CCNCC1 ZINC001236181701 819359401 /nfs/dbraw/zinc/35/94/01/819359401.db2.gz BILFWBKNTKCESF-UHFFFAOYSA-N 1 3 299.462 3.451 20 10 CGCDHO Cc1c(C[N@H+](C)[C@@H]2CCCC[C@H]2N)c2ccccc2n1C ZINC001236214181 819376077 /nfs/dbraw/zinc/37/60/77/819376077.db2.gz COFMSAWJWMMJKP-SJLPKXTDSA-N 1 3 285.435 3.188 20 10 CGCDHO Cc1c(C[N@@H+](C)[C@@H]2CCCC[C@H]2N)c2ccccc2n1C ZINC001236214181 819376084 /nfs/dbraw/zinc/37/60/84/819376084.db2.gz COFMSAWJWMMJKP-SJLPKXTDSA-N 1 3 285.435 3.188 20 10 CGCDHO Cc1cccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000180470425 374012559 /nfs/dbraw/zinc/01/25/59/374012559.db2.gz QEILDTOJDYIYPK-MRXNPFEDSA-N 1 3 288.435 3.008 20 10 CGCDHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273438488 378746179 /nfs/dbraw/zinc/74/61/79/378746179.db2.gz XTQARVHRMCBSEP-HOTGVXAUSA-N 1 3 290.451 3.392 20 10 CGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000090721002 260261758 /nfs/dbraw/zinc/26/17/58/260261758.db2.gz GPWNXEVIKDWOPK-NVXWUHKLSA-N 1 3 289.467 3.105 20 10 CGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090721002 260261759 /nfs/dbraw/zinc/26/17/59/260261759.db2.gz GPWNXEVIKDWOPK-NVXWUHKLSA-N 1 3 289.467 3.105 20 10 CGCDHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(C)cc1O ZINC000280173516 522855232 /nfs/dbraw/zinc/85/52/32/522855232.db2.gz RGXNNRKTQPJAGA-GOEBONIOSA-N 1 3 276.424 3.083 20 10 CGCDHO CC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(C)cc1[O-] ZINC000925841781 619290773 /nfs/dbraw/zinc/29/07/73/619290773.db2.gz SIXHSOKOGJMWAP-KBAYOESNSA-N 1 3 288.435 3.274 20 10 CGCDHO C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)c2c1c(F)ccc2[O-] ZINC000756501374 626709840 /nfs/dbraw/zinc/70/98/40/626709840.db2.gz CODGJEBLDDIQNE-AAEUAGOBSA-N 1 3 280.387 3.011 20 10 CGCDHO CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000775504495 628101816 /nfs/dbraw/zinc/10/18/16/628101816.db2.gz ZCDRWZDOXLREAC-DOMZBBRYSA-N 1 3 296.842 3.428 20 10 CGCDHO CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000775504495 628101822 /nfs/dbraw/zinc/10/18/22/628101822.db2.gz ZCDRWZDOXLREAC-DOMZBBRYSA-N 1 3 296.842 3.428 20 10 CGCDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902429 632233193 /nfs/dbraw/zinc/23/31/93/632233193.db2.gz QLVPWCLFTWQYLK-CVEARBPZSA-N 1 3 289.467 3.138 20 10 CGCDHO CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(C)cc1[O-] ZINC000817946845 632243380 /nfs/dbraw/zinc/24/33/80/632243380.db2.gz GFQKIHHQBRYWPU-SSDMNJCBSA-N 1 3 262.397 3.011 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(C)cc1[O-] ZINC000817961124 632257223 /nfs/dbraw/zinc/25/72/23/632257223.db2.gz URYGUCIJEIFXNZ-CWRNSKLLSA-N 1 3 276.424 3.259 20 10 CGCDHO C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000817962874 632258521 /nfs/dbraw/zinc/25/85/21/632258521.db2.gz MLDHJEANVJLDQR-LRDDRELGSA-N 1 3 282.387 3.189 20 10 CGCDHO C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccccc1[O-] ZINC000817963597 632258843 /nfs/dbraw/zinc/25/88/43/632258843.db2.gz UXIQITFMJUOAMS-QWHCGFSZSA-N 1 3 270.376 3.263 20 10 CGCDHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970585 632263785 /nfs/dbraw/zinc/26/37/85/632263785.db2.gz ALDRPJQIYRDMNE-GJZGRUSLSA-N 1 3 275.440 3.065 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c([O-])c1 ZINC000873245705 634299052 /nfs/dbraw/zinc/29/90/52/634299052.db2.gz TXLJMFRJOQBPIH-KGLIPLIRSA-N 1 3 276.424 3.129 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[O-] ZINC000873245702 634299181 /nfs/dbraw/zinc/29/91/81/634299181.db2.gz TXGQXZHCIUWHAT-ZFWWWQNUSA-N 1 3 276.424 3.211 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000877711785 635161557 /nfs/dbraw/zinc/16/15/57/635161557.db2.gz ZAIMBJBLZVXMDC-UHFFFAOYSA-N 1 3 276.424 3.053 20 10 CGCDHO CCC[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1[O-] ZINC000843358197 635653774 /nfs/dbraw/zinc/65/37/74/635653774.db2.gz BGJVSIHLBLXXGS-UHFFFAOYSA-N 1 3 290.451 3.384 20 10 CGCDHO CCC[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1[O-] ZINC000843358197 635653777 /nfs/dbraw/zinc/65/37/77/635653777.db2.gz BGJVSIHLBLXXGS-UHFFFAOYSA-N 1 3 290.451 3.384 20 10 CGCDHO CC[C@@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc(C)cc1[O-] ZINC000854230653 638028343 /nfs/dbraw/zinc/02/83/43/638028343.db2.gz VOFLQBNOKRHRSG-HUUCEWRRSA-N 1 3 264.413 3.115 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1[O-] ZINC000925804057 638617906 /nfs/dbraw/zinc/61/79/06/638617906.db2.gz YSPLBSCPZKKEIE-JHJVBQTASA-N 1 3 296.842 3.250 20 10 CGCDHO CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccccc1[O-] ZINC000155678957 639945451 /nfs/dbraw/zinc/94/54/51/639945451.db2.gz NWCIFVDLMQMNKC-MRXNPFEDSA-N 1 3 276.424 3.165 20 10 CGCDHO CCCOc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1C ZINC001202587863 812129006 /nfs/dbraw/zinc/12/90/06/812129006.db2.gz SXNAKOKLJYOWFX-AWEZNQCLSA-N 1 3 278.440 3.071 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCCC[C@](F)(CN)C2)c(O)c1 ZINC001206370017 813305838 /nfs/dbraw/zinc/30/58/38/813305838.db2.gz KINOFKHEIZUGEJ-KRWDZBQOSA-N 1 3 294.414 3.169 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCCC[C@](F)(CN)C2)c(O)c1 ZINC001206370017 813305848 /nfs/dbraw/zinc/30/58/48/813305848.db2.gz KINOFKHEIZUGEJ-KRWDZBQOSA-N 1 3 294.414 3.169 20 10 CGCDHO C[C@@H]1CC[C@H](N)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892270 819202359 /nfs/dbraw/zinc/20/23/59/819202359.db2.gz OECGTSUYBSOHMD-ZBFHGGJFSA-N 1 3 297.446 3.217 20 10 CGCDHO C[C@@H]1CC[C@H](N)C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892270 819202366 /nfs/dbraw/zinc/20/23/66/819202366.db2.gz OECGTSUYBSOHMD-ZBFHGGJFSA-N 1 3 297.446 3.217 20 10 CGCDHO CC[N@H+](Cc1ccc2c(c1)CC[NH2+]C2)Cc1ccccc1[O-] ZINC001236044170 819281999 /nfs/dbraw/zinc/28/19/99/819281999.db2.gz KDPRUKPEZVWSLR-UHFFFAOYSA-N 1 3 296.414 3.060 20 10 CGCDHO CC[N@@H+](Cc1ccc2c(c1)CC[NH2+]C2)Cc1ccccc1[O-] ZINC001236044170 819282007 /nfs/dbraw/zinc/28/20/07/819282007.db2.gz KDPRUKPEZVWSLR-UHFFFAOYSA-N 1 3 296.414 3.060 20 10 CGCDHO Cc1c(C[N@H+](C)[C@@H]2CCCC[C@@H]2N)c2ccccc2n1C ZINC001236214179 819377243 /nfs/dbraw/zinc/37/72/43/819377243.db2.gz COFMSAWJWMMJKP-FUHWJXTLSA-N 1 3 285.435 3.188 20 10 CGCDHO Cc1c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2N)c2ccccc2n1C ZINC001236214179 819377252 /nfs/dbraw/zinc/37/72/52/819377252.db2.gz COFMSAWJWMMJKP-FUHWJXTLSA-N 1 3 285.435 3.188 20 10 CGCDHO CC[NH+](CC)CCCN[C@H](C)c1cc(C)ccc1O ZINC000035628664 260030847 /nfs/dbraw/zinc/03/08/47/260030847.db2.gz ZUHIRRMIYRYOMN-CQSZACIVSA-N 1 3 264.413 3.083 20 10 CGCDHO CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000044517601 618614699 /nfs/dbraw/zinc/61/46/99/618614699.db2.gz LUSCTXIDLAXAOK-AWEZNQCLSA-N 1 3 276.424 3.083 20 10 CGCDHO CCN(C)c1ccc(CN(C)C2CC[NH+](CC)CC2)cc1 ZINC000773756199 627911472 /nfs/dbraw/zinc/91/14/72/627911472.db2.gz UROJVVTZDFTJPE-UHFFFAOYSA-N 1 3 289.467 3.059 20 10 CGCDHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817954511 632248928 /nfs/dbraw/zinc/24/89/28/632248928.db2.gz ZSPGQDOVBISRRP-GJZGRUSLSA-N 1 3 275.440 3.065 20 10 CGCDHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958969 632254545 /nfs/dbraw/zinc/25/45/45/632254545.db2.gz NVEINIRFRQHDAE-QAPCUYQASA-N 1 3 289.467 3.311 20 10 CGCDHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965209 632260014 /nfs/dbraw/zinc/26/00/14/632260014.db2.gz NVJFXLNQSNBONB-KBXCAEBGSA-N 1 3 287.451 3.065 20 10 CGCDHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979055 632269875 /nfs/dbraw/zinc/26/98/75/632269875.db2.gz HSLKRWKIWOBYQS-DOTOQJQBSA-N 1 3 289.467 3.455 20 10 CGCDHO CC(C)[NH+](CCCN[C@H]1CCc2cccc(O)c21)C(C)C ZINC000834613105 634198490 /nfs/dbraw/zinc/19/84/90/634198490.db2.gz ZIWVEWDRVCRGMV-INIZCTEOSA-N 1 3 290.451 3.478 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)c([O-])c1 ZINC000873234779 634295814 /nfs/dbraw/zinc/29/58/14/634295814.db2.gz HVHLVFWKDJNTGJ-RDJZCZTQSA-N 1 3 298.430 3.311 20 10 CGCDHO CCN(CC)c1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000841057110 635115206 /nfs/dbraw/zinc/11/52/06/635115206.db2.gz IIETUUQDHRWJJZ-CABCVRRESA-N 1 3 293.430 3.031 20 10 CGCDHO CC[C@H]([NH2+]CCCCCC[NH3+])c1ccc(C)cc1[O-] ZINC000843340324 635648701 /nfs/dbraw/zinc/64/87/01/635648701.db2.gz AYTZYENYFLCUGT-HNNXBMFYSA-N 1 3 264.413 3.260 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@@H]2CN)cc1 ZINC001204924831 812777898 /nfs/dbraw/zinc/77/78/98/812777898.db2.gz AVGOUCCFVOZFJE-LJQANCHMSA-N 1 3 297.446 3.407 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC[C@@H]2CN)cc1 ZINC001204924831 812777900 /nfs/dbraw/zinc/77/79/00/812777900.db2.gz AVGOUCCFVOZFJE-LJQANCHMSA-N 1 3 297.446 3.407 20 10 CGCDHO Cc1cc(CN2CCC[C@H]([NH3+])CC2)c(C)n1-c1ccccc1 ZINC001205101397 812865266 /nfs/dbraw/zinc/86/52/66/812865266.db2.gz FAHMFPZLVXBKMS-SFHVURJKSA-N 1 3 297.446 3.407 20 10 CGCDHO CCc1cccc(CN[C@H](C)CC[NH+](CC)CC)c1O ZINC001207858038 813661860 /nfs/dbraw/zinc/66/18/60/813661860.db2.gz BTHSXLZQJBKINP-CQSZACIVSA-N 1 3 278.440 3.165 20 10 CGCDHO Cc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235152244 819018280 /nfs/dbraw/zinc/01/82/80/819018280.db2.gz GCQRMUVEGYBWEX-QGZVFWFLSA-N 1 3 288.435 3.055 20 10 CGCDHO Cc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC001235152244 819018285 /nfs/dbraw/zinc/01/82/85/819018285.db2.gz GCQRMUVEGYBWEX-QGZVFWFLSA-N 1 3 288.435 3.055 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000019915013 368784013 /nfs/dbraw/zinc/78/40/13/368784013.db2.gz TUHNBYIXKGVKAM-CQSZACIVSA-N 1 3 294.439 3.001 20 10 CGCDHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000151106537 371570107 /nfs/dbraw/zinc/57/01/07/371570107.db2.gz QUEMAWBETGRHEI-JKSUJKDBSA-N 1 3 289.467 3.135 20 10 CGCDHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000151106537 371570113 /nfs/dbraw/zinc/57/01/13/371570113.db2.gz QUEMAWBETGRHEI-JKSUJKDBSA-N 1 3 289.467 3.135 20 10 CGCDHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000151106537 371570121 /nfs/dbraw/zinc/57/01/21/371570121.db2.gz QUEMAWBETGRHEI-JKSUJKDBSA-N 1 3 289.467 3.135 20 10 CGCDHO Cc1cccc(C[NH2+]CCCCC[NH+]2CCCC2)c1[O-] ZINC000293655752 372438035 /nfs/dbraw/zinc/43/80/35/372438035.db2.gz NJWKUBFPCUFGLZ-UHFFFAOYSA-N 1 3 276.424 3.056 20 10 CGCDHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273438492 378746241 /nfs/dbraw/zinc/74/62/41/378746241.db2.gz XTQARVHRMCBSEP-JKSUJKDBSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1C ZINC000363846372 382258566 /nfs/dbraw/zinc/25/85/66/382258566.db2.gz CHXRLYXXLRSQNT-HRCADAONSA-N 1 3 288.435 3.286 20 10 CGCDHO Cc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1C ZINC000363846372 382258570 /nfs/dbraw/zinc/25/85/70/382258570.db2.gz CHXRLYXXLRSQNT-HRCADAONSA-N 1 3 288.435 3.286 20 10 CGCDHO CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183532948 327820509 /nfs/dbraw/zinc/82/05/09/327820509.db2.gz ULUBPRHSWMWBDQ-CQSZACIVSA-N 1 3 276.424 3.165 20 10 CGCDHO CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1[O-] ZINC000229574105 333306317 /nfs/dbraw/zinc/30/63/17/333306317.db2.gz JGGNHIAETGJXGS-HNNXBMFYSA-N 1 3 276.424 3.165 20 10 CGCDHO Cc1cc(Cl)cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1[O-] ZINC000839181922 626326269 /nfs/dbraw/zinc/32/62/69/626326269.db2.gz KMKSMJRCUBBTBQ-CYBMUJFWSA-N 1 3 296.842 3.176 20 10 CGCDHO Cc1cc(Cl)cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1[O-] ZINC000839181922 626326272 /nfs/dbraw/zinc/32/62/72/626326272.db2.gz KMKSMJRCUBBTBQ-CYBMUJFWSA-N 1 3 296.842 3.176 20 10 CGCDHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C)cc1[O-] ZINC000817947788 632244778 /nfs/dbraw/zinc/24/47/78/632244778.db2.gz QVEBLHMDEFLJAZ-DZKIICNBSA-N 1 3 276.424 3.129 20 10 CGCDHO C[C@H]([NH2+]CC(C)(C)N)c1ccc(N2CCCCC2)cc1 ZINC000817961144 632257529 /nfs/dbraw/zinc/25/75/29/632257529.db2.gz XSYNPVBGXZXDAY-AWEZNQCLSA-N 1 3 275.440 3.065 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(C)cc1[O-] ZINC000817969360 632263237 /nfs/dbraw/zinc/26/32/37/632263237.db2.gz CHUXFUXJLJGFFM-NFAWXSAZSA-N 1 3 262.397 3.011 20 10 CGCDHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817977413 632268599 /nfs/dbraw/zinc/26/85/99/632268599.db2.gz JXKAGNRYEMMINW-JYJNAYRXSA-N 1 3 289.467 3.453 20 10 CGCDHO Cc1cccc([O-])c1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000877683914 635144846 /nfs/dbraw/zinc/14/48/46/635144846.db2.gz BDOLZZBKKFWEJJ-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO CN(Cc1ccc(N2CCCCC2)cc1)CC(C)(C)C[NH3+] ZINC000843056409 635552985 /nfs/dbraw/zinc/55/29/85/635552985.db2.gz JAJZJKJFOXHWAQ-UHFFFAOYSA-N 1 3 289.467 3.094 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c([O-])c1 ZINC000844924989 635985857 /nfs/dbraw/zinc/98/58/57/635985857.db2.gz OOOQYFDNHRVCLC-CQSZACIVSA-N 1 3 276.424 3.049 20 10 CGCDHO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@@H]2CN)c1O ZINC001204925428 812778163 /nfs/dbraw/zinc/77/81/63/812778163.db2.gz SIEZGFXOCVVWAZ-CQSZACIVSA-N 1 3 276.424 3.003 20 10 CGCDHO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@@H]2CN)c1O ZINC001204925428 812778166 /nfs/dbraw/zinc/77/81/66/812778166.db2.gz SIEZGFXOCVVWAZ-CQSZACIVSA-N 1 3 276.424 3.003 20 10 CGCDHO Cc1cc(CN2CCC[C@@H]([NH3+])CC2)c(C)n1-c1ccccc1 ZINC001205101395 812865699 /nfs/dbraw/zinc/86/56/99/812865699.db2.gz FAHMFPZLVXBKMS-GOSISDBHSA-N 1 3 297.446 3.407 20 10 CGCDHO Cc1ccc(O)c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093564065 392239612 /nfs/dbraw/zinc/23/96/12/392239612.db2.gz HMFBRDKABRIBLG-QGZVFWFLSA-N 1 3 288.435 3.151 20 10 CGCDHO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000173451091 392625250 /nfs/dbraw/zinc/62/52/50/392625250.db2.gz CXLSAAKNGJTOJX-INIZCTEOSA-N 1 3 290.451 3.173 20 10 CGCDHO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000173451091 392625252 /nfs/dbraw/zinc/62/52/52/392625252.db2.gz CXLSAAKNGJTOJX-INIZCTEOSA-N 1 3 290.451 3.173 20 10 CGCDHO CCCN(CCC)c1ccc(C[NH2+][C@H](C)[C@@H](C)N)cc1 ZINC000841082165 622275805 /nfs/dbraw/zinc/27/58/05/622275805.db2.gz WOUYBEQMKDLFGE-HUUCEWRRSA-N 1 3 277.456 3.138 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)c(O)c1C ZINC000756423898 626705068 /nfs/dbraw/zinc/70/50/68/626705068.db2.gz QDAKDFHLIJQROV-BBRMVZONSA-N 1 3 290.451 3.392 20 10 CGCDHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970584 632264833 /nfs/dbraw/zinc/26/48/33/632264833.db2.gz ALDRPJQIYRDMNE-CABCVRRESA-N 1 3 275.440 3.065 20 10 CGCDHO Cc1ccc([O-])c(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000873232859 634295870 /nfs/dbraw/zinc/29/58/70/634295870.db2.gz OPBZHVWBWPPRLY-KRWDZBQOSA-N 1 3 288.435 3.103 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000844902864 635980903 /nfs/dbraw/zinc/98/09/03/635980903.db2.gz VCGYXRKQJQGHBT-KBXCAEBGSA-N 1 3 289.467 3.010 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000844902864 635980905 /nfs/dbraw/zinc/98/09/05/635980905.db2.gz VCGYXRKQJQGHBT-KBXCAEBGSA-N 1 3 289.467 3.010 20 10 CGCDHO CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccccc1[O-] ZINC000844925240 635986170 /nfs/dbraw/zinc/98/61/70/635986170.db2.gz SIXCJJBPKRAMOW-QGZVFWFLSA-N 1 3 284.403 3.353 20 10 CGCDHO C[C@@H]1C[C@H]([NH2+]CCC2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000844925548 635986409 /nfs/dbraw/zinc/98/64/09/635986409.db2.gz ROTIDFFWQUTLKX-RISCZKNCSA-N 1 3 292.398 3.059 20 10 CGCDHO Cc1c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001138257919 803884468 /nfs/dbraw/zinc/88/44/68/803884468.db2.gz CUGGJGQICHQQLB-IBGZPJMESA-N 1 3 297.446 3.014 20 10 CGCDHO Cc1c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1C ZINC001138257919 803884477 /nfs/dbraw/zinc/88/44/77/803884477.db2.gz CUGGJGQICHQQLB-IBGZPJMESA-N 1 3 297.446 3.014 20 10 CGCDHO CCN(Cc1ccc(N(C)C)cc1)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246927547 804603867 /nfs/dbraw/zinc/60/38/67/804603867.db2.gz WQQATVCOOATIQO-HUUCEWRRSA-N 1 3 289.467 3.104 20 10 CGCDHO CC[N@H+](Cc1ccc(N(C)C)cc1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246927547 804603869 /nfs/dbraw/zinc/60/38/69/804603869.db2.gz WQQATVCOOATIQO-HUUCEWRRSA-N 1 3 289.467 3.104 20 10 CGCDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)C1C[C@@H](C)N[C@H](C)C1 ZINC001246927547 804603871 /nfs/dbraw/zinc/60/38/71/804603871.db2.gz WQQATVCOOATIQO-HUUCEWRRSA-N 1 3 289.467 3.104 20 10 CGCDHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001169095313 807573589 /nfs/dbraw/zinc/57/35/89/807573589.db2.gz PDTWTQGKGZXQAQ-GGPHIMKMSA-N 1 3 299.462 3.002 20 10 CGCDHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c2ccccc2n(C)c1C ZINC001276556648 809016589 /nfs/dbraw/zinc/01/65/89/809016589.db2.gz PTQBLOVFZQUKGY-MQVJKMGUSA-N 1 3 297.446 3.202 20 10 CGCDHO CC(C)c1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c([O-])c1 ZINC001237053499 819654563 /nfs/dbraw/zinc/65/45/63/819654563.db2.gz LPPDAHULILRTNC-UHFFFAOYSA-N 1 3 290.451 3.289 20 10 CGCDHO CC(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c([O-])c1 ZINC001237053499 819654567 /nfs/dbraw/zinc/65/45/67/819654567.db2.gz LPPDAHULILRTNC-UHFFFAOYSA-N 1 3 290.451 3.289 20 10 CGCDHO [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237400785 819743943 /nfs/dbraw/zinc/74/39/43/819743943.db2.gz AFDNQDDHIOYIEQ-MAUKXSAKSA-N 1 3 296.414 3.119 20 10 CGCDHO [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237400785 819743947 /nfs/dbraw/zinc/74/39/47/819743947.db2.gz AFDNQDDHIOYIEQ-MAUKXSAKSA-N 1 3 296.414 3.119 20 10 CGCDHO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001461253848 937572369 /nfs/dbraw/zinc/57/23/69/937572369.db2.gz GTORQTCLJOHSLV-JKSUJKDBSA-N 1 3 299.462 3.449 20 10 CGCDHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185564029 374687853 /nfs/dbraw/zinc/68/78/53/374687853.db2.gz JVCQHVGRAAEGEA-ZDUSSCGKSA-N 1 3 294.414 3.304 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)c([O-])c1C ZINC000273468099 378749026 /nfs/dbraw/zinc/74/90/26/378749026.db2.gz FGFKURPLNOFIIW-AWEZNQCLSA-N 1 3 264.413 3.001 20 10 CGCDHO Cc1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000369723795 267260471 /nfs/dbraw/zinc/26/04/71/267260471.db2.gz YAMIVINIOUSRCU-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO Cc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000369723795 267260473 /nfs/dbraw/zinc/26/04/73/267260473.db2.gz YAMIVINIOUSRCU-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO Cc1cc(C)c([C@H](C)NCCC[NH2+]C(C)C)c(O)c1 ZINC000817951880 625622368 /nfs/dbraw/zinc/62/23/68/625622368.db2.gz BHKPXOMFSIPCQJ-AWEZNQCLSA-N 1 3 264.413 3.048 20 10 CGCDHO CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946666 632243305 /nfs/dbraw/zinc/24/33/05/632243305.db2.gz CUGIQYDFOLWLAZ-ZVZYQTTQSA-N 1 3 289.467 3.181 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000817947767 632244455 /nfs/dbraw/zinc/24/44/55/632244455.db2.gz QLBZQGKTHNLCIY-ZOBUZTSGSA-N 1 3 289.467 3.181 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1[O-] ZINC000817947485 632244647 /nfs/dbraw/zinc/24/46/47/632244647.db2.gz OKFOHKNRLBAWNE-AVGNSLFASA-N 1 3 296.842 3.393 20 10 CGCDHO CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C)cc1[O-] ZINC000817947791 632244740 /nfs/dbraw/zinc/24/47/40/632244740.db2.gz QVEBLHMDEFLJAZ-YCPHGPKFSA-N 1 3 276.424 3.129 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1[O-] ZINC000817954070 632248904 /nfs/dbraw/zinc/24/89/04/632248904.db2.gz BDYQJDJRTSMTKT-RYUDHWBXSA-N 1 3 282.815 3.004 20 10 CGCDHO CCN(CC)c1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000843050916 635550021 /nfs/dbraw/zinc/55/00/21/635550021.db2.gz BCAYKTFQHRYGMI-NVXWUHKLSA-N 1 3 289.467 3.092 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c([O-])c1 ZINC000715581378 800139835 /nfs/dbraw/zinc/13/98/35/800139835.db2.gz CIOCVIFKPZAMMP-WLYUNCDWSA-N 1 3 276.424 3.224 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCNCC[C@@H]2C)cc1 ZINC001205324841 812954580 /nfs/dbraw/zinc/95/45/80/812954580.db2.gz GVUPGQUEWARTBJ-HNNXBMFYSA-N 1 3 297.446 3.278 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCNCC[C@@H]2C)cc1 ZINC001205324841 812954584 /nfs/dbraw/zinc/95/45/84/812954584.db2.gz GVUPGQUEWARTBJ-HNNXBMFYSA-N 1 3 297.446 3.278 20 10 CGCDHO Cc1c(C[N@@H+]2CCCC[C@@H](CN)C2)c2ccccc2n1C ZINC001206616817 813375601 /nfs/dbraw/zinc/37/56/01/813375601.db2.gz QTDSTRRRPRMVOA-HNNXBMFYSA-N 1 3 285.435 3.048 20 10 CGCDHO Cc1c(C[N@H+]2CCCC[C@@H](CN)C2)c2ccccc2n1C ZINC001206616817 813375607 /nfs/dbraw/zinc/37/56/07/813375607.db2.gz QTDSTRRRPRMVOA-HNNXBMFYSA-N 1 3 285.435 3.048 20 10 CGCDHO Cc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235231009 819041512 /nfs/dbraw/zinc/04/15/12/819041512.db2.gz XTAFYVHBVQVFTF-QGZVFWFLSA-N 1 3 288.435 3.055 20 10 CGCDHO C[C@H]1C[C@H](N)C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044553 819281820 /nfs/dbraw/zinc/28/18/20/819281820.db2.gz NSOAVWPIIRBMQO-HOCLYGCPSA-N 1 3 297.446 3.075 20 10 CGCDHO C[C@H]1C[C@H](N)C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044553 819281825 /nfs/dbraw/zinc/28/18/25/819281825.db2.gz NSOAVWPIIRBMQO-HOCLYGCPSA-N 1 3 297.446 3.075 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC001335117780 936130078 /nfs/dbraw/zinc/13/00/78/936130078.db2.gz XATQADOZEJCQAP-UHFFFAOYSA-N 1 3 288.435 3.197 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c([O-])c1 ZINC000168758650 372619180 /nfs/dbraw/zinc/61/91/80/372619180.db2.gz WPAHPEBCEUIIDD-CQSZACIVSA-N 1 3 276.424 3.083 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000269033516 378176585 /nfs/dbraw/zinc/17/65/85/378176585.db2.gz SFAJEQIKNFQKQN-LSDHHAIUSA-N 1 3 277.456 3.134 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000071406052 520630460 /nfs/dbraw/zinc/63/04/60/520630460.db2.gz FTZXSWMVFQKIQA-OAHLLOKOSA-N 1 3 278.440 3.301 20 10 CGCDHO C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)ccc1[O-] ZINC000895683635 619872553 /nfs/dbraw/zinc/87/25/53/619872553.db2.gz PYGNZQKBIIXOBY-UHFFFAOYSA-N 1 3 294.414 3.229 20 10 CGCDHO C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)ccc1[O-] ZINC000895683635 619872555 /nfs/dbraw/zinc/87/25/55/619872555.db2.gz PYGNZQKBIIXOBY-UHFFFAOYSA-N 1 3 294.414 3.229 20 10 CGCDHO C[C@H](CN[C@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCCC1 ZINC000062078592 623198681 /nfs/dbraw/zinc/19/86/81/623198681.db2.gz MQZIDPJPULDGMO-HZPDHXFCSA-N 1 3 289.467 3.135 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)c(O)c1C ZINC000756423901 626705005 /nfs/dbraw/zinc/70/50/05/626705005.db2.gz QDAKDFHLIJQROV-XJKSGUPXSA-N 1 3 290.451 3.392 20 10 CGCDHO CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000775504496 628101593 /nfs/dbraw/zinc/10/15/93/628101593.db2.gz ZCDRWZDOXLREAC-IUODEOHRSA-N 1 3 296.842 3.428 20 10 CGCDHO CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000775504496 628101595 /nfs/dbraw/zinc/10/15/95/628101595.db2.gz ZCDRWZDOXLREAC-IUODEOHRSA-N 1 3 296.842 3.428 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c([O-])c1 ZINC000788595459 629067134 /nfs/dbraw/zinc/06/71/34/629067134.db2.gz UGLOUIKRTVAXHZ-AWEZNQCLSA-N 1 3 276.424 3.001 20 10 CGCDHO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000817963229 632258962 /nfs/dbraw/zinc/25/89/62/632258962.db2.gz PPBDUOGCCXLSNO-RYUDHWBXSA-N 1 3 288.366 3.402 20 10 CGCDHO C[C@@H]1C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2c1c(F)ccc2[O-] ZINC000817980605 632271256 /nfs/dbraw/zinc/27/12/56/632271256.db2.gz LMBZWSSYWCFBCK-MBNYWOFBSA-N 1 3 292.398 3.201 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C)cc1[O-] ZINC000873239354 634296800 /nfs/dbraw/zinc/29/68/00/634296800.db2.gz UIKYFHJECIUZPW-DZKIICNBSA-N 1 3 276.424 3.259 20 10 CGCDHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000873245966 634299298 /nfs/dbraw/zinc/29/92/98/634299298.db2.gz QPJZTVQUCCCZBA-HOCLYGCPSA-N 1 3 289.467 3.181 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877142207 634999945 /nfs/dbraw/zinc/99/99/45/634999945.db2.gz LHDYUCJUJISZMI-OAHLLOKOSA-N 1 3 278.440 3.301 20 10 CGCDHO CC[C@H]([NH2+]CC1(N)CCCC1)c1ccc(N(C)C)cc1 ZINC000854222688 638026208 /nfs/dbraw/zinc/02/62/08/638026208.db2.gz KJTIULGNTQXMKU-INIZCTEOSA-N 1 3 275.440 3.065 20 10 CGCDHO C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490721 638740705 /nfs/dbraw/zinc/74/07/05/638740705.db2.gz MOJOMINCHYBOAR-CVEARBPZSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490721 638740711 /nfs/dbraw/zinc/74/07/11/638740711.db2.gz MOJOMINCHYBOAR-CVEARBPZSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000858490721 638740715 /nfs/dbraw/zinc/74/07/15/638740715.db2.gz MOJOMINCHYBOAR-CVEARBPZSA-N 1 3 289.467 3.135 20 10 CGCDHO CCC(CC)[N@H+](C)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139258582 804172118 /nfs/dbraw/zinc/17/21/18/804172118.db2.gz TYLUEWZSOPGUNA-UHFFFAOYSA-N 1 3 294.439 3.083 20 10 CGCDHO CCC(CC)[N@@H+](C)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139258582 804172121 /nfs/dbraw/zinc/17/21/21/804172121.db2.gz TYLUEWZSOPGUNA-UHFFFAOYSA-N 1 3 294.439 3.083 20 10 CGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1[O-] ZINC001206326322 813290725 /nfs/dbraw/zinc/29/07/25/813290725.db2.gz NFMOEPRCCXWWAK-MRXNPFEDSA-N 1 3 296.842 3.305 20 10 CGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1[O-] ZINC001206326322 813290732 /nfs/dbraw/zinc/29/07/32/813290732.db2.gz NFMOEPRCCXWWAK-MRXNPFEDSA-N 1 3 296.842 3.305 20 10 CGCDHO Cc1ccc([O-])c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000369207023 267226614 /nfs/dbraw/zinc/22/66/14/267226614.db2.gz WZMQBLAGNVEQOQ-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO Cc1ccc([O-])c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000369207023 267226615 /nfs/dbraw/zinc/22/66/15/267226615.db2.gz WZMQBLAGNVEQOQ-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[O-] ZINC000251250225 334358960 /nfs/dbraw/zinc/35/89/60/334358960.db2.gz MRQNQKGSIPYRBT-DZKIICNBSA-N 1 3 274.408 3.060 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1[O-] ZINC000251250225 334358961 /nfs/dbraw/zinc/35/89/61/334358961.db2.gz MRQNQKGSIPYRBT-DZKIICNBSA-N 1 3 274.408 3.060 20 10 CGCDHO CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C)cc1[O-] ZINC000280156347 522821869 /nfs/dbraw/zinc/82/18/69/522821869.db2.gz QLICVTAZTAOCPN-MRXNPFEDSA-N 1 3 274.408 3.003 20 10 CGCDHO CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C)cc1[O-] ZINC000280156347 522821873 /nfs/dbraw/zinc/82/18/73/522821873.db2.gz QLICVTAZTAOCPN-MRXNPFEDSA-N 1 3 274.408 3.003 20 10 CGCDHO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183493080 625080038 /nfs/dbraw/zinc/08/00/38/625080038.db2.gz XNTSWUDMLANQRA-AWEZNQCLSA-N 1 3 276.424 3.165 20 10 CGCDHO CC[NH+](CC)CCCN[C@H](C)c1ccc(C)c(C)c1O ZINC000756340969 626693244 /nfs/dbraw/zinc/69/32/44/626693244.db2.gz KBBRIHXUJXHMNW-OAHLLOKOSA-N 1 3 278.440 3.392 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCC[NH+](C)C)c1[O-] ZINC000808683618 630664612 /nfs/dbraw/zinc/66/46/12/630664612.db2.gz HMHNLLODGWWQAI-LBPRGKRZSA-N 1 3 284.831 3.346 20 10 CGCDHO C[C@H]([NH2+]CC1(N)CCCCC1)c1ccc(N(C)C)cc1 ZINC000817936047 632238015 /nfs/dbraw/zinc/23/80/15/632238015.db2.gz MNXGAYXCVWSWTG-AWEZNQCLSA-N 1 3 275.440 3.065 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000817947764 632244236 /nfs/dbraw/zinc/24/42/36/632244236.db2.gz QLBZQGKTHNLCIY-UXLLHSPISA-N 1 3 289.467 3.181 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c([O-])c1 ZINC000834909283 634284061 /nfs/dbraw/zinc/28/40/61/634284061.db2.gz QJICTKIKALJFLZ-CQSZACIVSA-N 1 3 276.424 3.226 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c([O-])c1 ZINC000834909283 634284065 /nfs/dbraw/zinc/28/40/65/634284065.db2.gz QJICTKIKALJFLZ-CQSZACIVSA-N 1 3 276.424 3.226 20 10 CGCDHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000247146654 640710928 /nfs/dbraw/zinc/71/09/28/640710928.db2.gz REKWXJJEGQCISP-YXJHDRRASA-N 1 3 289.467 3.276 20 10 CGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1[O-] ZINC001206326320 813290232 /nfs/dbraw/zinc/29/02/32/813290232.db2.gz NFMOEPRCCXWWAK-INIZCTEOSA-N 1 3 296.842 3.305 20 10 CGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1[O-] ZINC001206326320 813290237 /nfs/dbraw/zinc/29/02/37/813290237.db2.gz NFMOEPRCCXWWAK-INIZCTEOSA-N 1 3 296.842 3.305 20 10 CGCDHO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCN1 ZINC001210475794 814479534 /nfs/dbraw/zinc/47/95/34/814479534.db2.gz OVQHRZRJPHCDED-HNNXBMFYSA-N 1 3 297.446 3.090 20 10 CGCDHO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCN1 ZINC001210475794 814479537 /nfs/dbraw/zinc/47/95/37/814479537.db2.gz OVQHRZRJPHCDED-HNNXBMFYSA-N 1 3 297.446 3.090 20 10 CGCDHO C[C@H]1C[C@@H](N)C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044552 819281870 /nfs/dbraw/zinc/28/18/70/819281870.db2.gz NSOAVWPIIRBMQO-GOEBONIOSA-N 1 3 297.446 3.075 20 10 CGCDHO C[C@H]1C[C@@H](N)C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044552 819281874 /nfs/dbraw/zinc/28/18/74/819281874.db2.gz NSOAVWPIIRBMQO-GOEBONIOSA-N 1 3 297.446 3.075 20 10 CGCDHO CC(C)N(CCC[NH2+]C1CC1)Cc1ccc(N(C)C)cc1 ZINC001575690634 962413365 /nfs/dbraw/zinc/41/33/65/962413365.db2.gz MWAQIEIHRZCCRW-UHFFFAOYSA-N 1 3 289.467 3.105 20 10 CGCDHO CC(C)[N@H+](CCCNC1CC1)Cc1ccc(N(C)C)cc1 ZINC001575690634 962413372 /nfs/dbraw/zinc/41/33/72/962413372.db2.gz MWAQIEIHRZCCRW-UHFFFAOYSA-N 1 3 289.467 3.105 20 10 CGCDHO CC(C)[N@@H+](CCCNC1CC1)Cc1ccc(N(C)C)cc1 ZINC001575690634 962413377 /nfs/dbraw/zinc/41/33/77/962413377.db2.gz MWAQIEIHRZCCRW-UHFFFAOYSA-N 1 3 289.467 3.105 20 10 CGCDHO CC[NH+]1CCC(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297955588 373288015 /nfs/dbraw/zinc/28/80/15/373288015.db2.gz ZBEMZTKJUHJYFM-MRXNPFEDSA-N 1 3 288.435 3.091 20 10 CGCDHO CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185563900 374688278 /nfs/dbraw/zinc/68/82/78/374688278.db2.gz XBDVTPJSHVMYJM-OAHLLOKOSA-N 1 3 290.451 3.473 20 10 CGCDHO CCN(C)c1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271825591 378508572 /nfs/dbraw/zinc/50/85/72/378508572.db2.gz CZUDHKBMJIEGRK-HNNXBMFYSA-N 1 3 287.451 3.055 20 10 CGCDHO CCN1CC[C@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273382969 378743931 /nfs/dbraw/zinc/74/39/31/378743931.db2.gz ITVBVAHDJMTAPA-HUUCEWRRSA-N 1 3 276.424 3.001 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c([O-])c1 ZINC000283939720 380107135 /nfs/dbraw/zinc/10/71/35/380107135.db2.gz FHYKBKVTWJQZPR-HNNXBMFYSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000038041960 174044743 /nfs/dbraw/zinc/04/47/43/174044743.db2.gz LCROUCVOKHZZNF-HZPDHXFCSA-N 1 3 290.451 3.473 20 10 CGCDHO CCN(C)c1ccc([C@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000159274039 261182617 /nfs/dbraw/zinc/18/26/17/261182617.db2.gz QAANFWGDTIGQPG-HNNXBMFYSA-N 1 3 289.467 3.278 20 10 CGCDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902431 632232523 /nfs/dbraw/zinc/23/25/23/632232523.db2.gz QLVPWCLFTWQYLK-HZPDHXFCSA-N 1 3 289.467 3.138 20 10 CGCDHO CC[C@H]([NH2+]CCC[NH2+]C(C)C)c1ccc(C)cc1[O-] ZINC000817951837 632247986 /nfs/dbraw/zinc/24/79/86/632247986.db2.gz BCDLRJSFJSAZAB-HNNXBMFYSA-N 1 3 264.413 3.129 20 10 CGCDHO CCCC[C@H](C[NH3+])N[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000817962526 632257385 /nfs/dbraw/zinc/25/73/85/632257385.db2.gz JNWNHIIRVRYFCZ-WBVHZDCISA-N 1 3 277.456 3.311 20 10 CGCDHO CC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccccc1[O-] ZINC000817968758 632261484 /nfs/dbraw/zinc/26/14/84/632261484.db2.gz LVEGPWSNBCBAJD-QGZVFWFLSA-N 1 3 282.387 3.236 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000817976932 632267918 /nfs/dbraw/zinc/26/79/18/632267918.db2.gz XEGYSERRECFTQD-BXUZGUMPSA-N 1 3 294.826 3.147 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c([O-])c1 ZINC000817986364 632274810 /nfs/dbraw/zinc/27/48/10/632274810.db2.gz LGPXKZACKBPGEH-ZJIFWQFVSA-N 1 3 288.435 3.048 20 10 CGCDHO C[NH+](C)C1(C)CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000866516553 633171701 /nfs/dbraw/zinc/17/17/01/633171701.db2.gz BXTNDQFEJZQMJQ-SWKXRBFHSA-N 1 3 288.435 3.232 20 10 CGCDHO Cc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c([O-])c1 ZINC000876625554 634869887 /nfs/dbraw/zinc/86/98/87/634869887.db2.gz YHPRVBKHRZETQZ-UHFFFAOYSA-N 1 3 290.451 3.253 20 10 CGCDHO Cc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c([O-])c1 ZINC000876625554 634869892 /nfs/dbraw/zinc/86/98/92/634869892.db2.gz YHPRVBKHRZETQZ-UHFFFAOYSA-N 1 3 290.451 3.253 20 10 CGCDHO Cc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1[O-] ZINC000841081497 635118754 /nfs/dbraw/zinc/11/87/54/635118754.db2.gz DJTDWZDCYIGCGV-JOCQHMNTSA-N 1 3 296.842 3.209 20 10 CGCDHO CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1[O-] ZINC000843344314 635652857 /nfs/dbraw/zinc/65/28/57/635652857.db2.gz VGHMRMZQFGJYOB-INIZCTEOSA-N 1 3 270.376 3.092 20 10 CGCDHO CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C)cc1[O-] ZINC000848559695 636605202 /nfs/dbraw/zinc/60/52/02/636605202.db2.gz XXJSHHSIYCXHOD-LZWOXQAQSA-N 1 3 276.424 3.082 20 10 CGCDHO CCC1([NH3+])CCN([C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000925761288 638601308 /nfs/dbraw/zinc/60/13/08/638601308.db2.gz YTMZQTOVWXGNLE-AAEUAGOBSA-N 1 3 292.398 3.283 20 10 CGCDHO CC(C)(C)c1ccc(C[NH+]2CCC(CC[NH3+])CC2)c([O-])c1 ZINC001206506556 813337830 /nfs/dbraw/zinc/33/78/30/813337830.db2.gz GDTVCEVYWKEMNF-UHFFFAOYSA-N 1 3 290.451 3.251 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC001205093757 812858708 /nfs/dbraw/zinc/85/87/08/812858708.db2.gz FUCIILRMTNBRBA-SFHVURJKSA-N 1 3 297.446 3.407 20 10 CGCDHO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1[O-] ZINC001205651912 813041781 /nfs/dbraw/zinc/04/17/81/813041781.db2.gz LPWTXCRSQWCKDV-YPMHNXCESA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)c1[O-] ZINC001205651912 813041786 /nfs/dbraw/zinc/04/17/86/813041786.db2.gz LPWTXCRSQWCKDV-YPMHNXCESA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1cc(Cl)cc(C[N@H+](C)CCC2CC[NH2+]CC2)c1[O-] ZINC001235717030 819149860 /nfs/dbraw/zinc/14/98/60/819149860.db2.gz BIZUHUCIVUQBOQ-UHFFFAOYSA-N 1 3 296.842 3.176 20 10 CGCDHO Cc1cc(Cl)cc(C[N@@H+](C)CCC2CC[NH2+]CC2)c1[O-] ZINC001235717030 819149863 /nfs/dbraw/zinc/14/98/63/819149863.db2.gz BIZUHUCIVUQBOQ-UHFFFAOYSA-N 1 3 296.842 3.176 20 10 CGCDHO CC(C)c1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c([O-])c1 ZINC001237056205 819655361 /nfs/dbraw/zinc/65/53/61/819655361.db2.gz UVWVOKYYARKLME-UHFFFAOYSA-N 1 3 288.435 3.043 20 10 CGCDHO Cc1cccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000180470448 374013362 /nfs/dbraw/zinc/01/33/62/374013362.db2.gz QEILDTOJDYIYPK-INIZCTEOSA-N 1 3 288.435 3.008 20 10 CGCDHO CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179557195 392702025 /nfs/dbraw/zinc/70/20/25/392702025.db2.gz UMTQLXTUMLGOOT-UHFFFAOYSA-N 1 3 290.451 3.336 20 10 CGCDHO CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179557195 392702031 /nfs/dbraw/zinc/70/20/31/392702031.db2.gz UMTQLXTUMLGOOT-UHFFFAOYSA-N 1 3 290.451 3.336 20 10 CGCDHO Cc1ccc([O-])c([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278356565 525360047 /nfs/dbraw/zinc/36/00/47/525360047.db2.gz CPWIUJSBBLFDOW-CQSZACIVSA-N 1 3 288.435 3.226 20 10 CGCDHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817958968 632254983 /nfs/dbraw/zinc/25/49/83/632254983.db2.gz NVEINIRFRQHDAE-MAUKXSAKSA-N 1 3 289.467 3.311 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)[NH2+]CC(N)(CC)CC)cc1 ZINC000817959350 632255001 /nfs/dbraw/zinc/25/50/01/632255001.db2.gz BQASOAHHDATXRJ-CQSZACIVSA-N 1 3 277.456 3.311 20 10 CGCDHO C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817976997 632268960 /nfs/dbraw/zinc/26/89/60/632268960.db2.gz YVKANSHGNGEWKJ-LOWVWBTDSA-N 1 3 280.387 3.187 20 10 CGCDHO C[C@@H]1C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2c1c(F)ccc2[O-] ZINC000817980598 632271574 /nfs/dbraw/zinc/27/15/74/632271574.db2.gz LMBZWSSYWCFBCK-BZPMIXESSA-N 1 3 292.398 3.201 20 10 CGCDHO [NH3+]CCC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000817983832 632272619 /nfs/dbraw/zinc/27/26/19/632272619.db2.gz RNBIOFSUASXUBQ-DLBZAZTESA-N 1 3 296.414 3.449 20 10 CGCDHO CC[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccccc1[O-] ZINC000873235021 634295317 /nfs/dbraw/zinc/29/53/17/634295317.db2.gz JWZDZPXIHOHLIC-WMZOPIPTSA-N 1 3 298.430 3.393 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000840935288 635084891 /nfs/dbraw/zinc/08/48/91/635084891.db2.gz KRUZGBBXQMGRFJ-IAGOWNOFSA-N 1 3 289.467 3.023 20 10 CGCDHO Cc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2F)c(O)c1 ZINC000844923799 635986388 /nfs/dbraw/zinc/98/63/88/635986388.db2.gz KKSZBUCPCDRTHJ-GFCCVEGCSA-N 1 3 288.366 3.149 20 10 CGCDHO Cc1c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001138257920 803884545 /nfs/dbraw/zinc/88/45/45/803884545.db2.gz CUGGJGQICHQQLB-LJQANCHMSA-N 1 3 297.446 3.014 20 10 CGCDHO Cc1c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1C ZINC001138257920 803884554 /nfs/dbraw/zinc/88/45/54/803884554.db2.gz CUGGJGQICHQQLB-LJQANCHMSA-N 1 3 297.446 3.014 20 10 CGCDHO CC[C@H]1CC(NCc2c(C)cc(C)cc2O)C[C@H](CC)[NH2+]1 ZINC001246343665 804296664 /nfs/dbraw/zinc/29/66/64/804296664.db2.gz NSVKNIIHZQFIGG-GJZGRUSLSA-N 1 3 290.451 3.408 20 10 CGCDHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(C)C)cc1O ZINC001276815789 809032311 /nfs/dbraw/zinc/03/23/11/809032311.db2.gz ZWOQLLGNRIVJQC-ALOPSCKCSA-N 1 3 288.435 3.230 20 10 CGCDHO Cc1cc(Cl)cc(CN2CCC[C@@](C)([NH3+])CC2)c1O ZINC001205288636 812931771 /nfs/dbraw/zinc/93/17/71/812931771.db2.gz MJMKQFHBJLFAFK-OAHLLOKOSA-N 1 3 282.815 3.057 20 10 CGCDHO CC(C)c1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC001222153798 816361999 /nfs/dbraw/zinc/36/19/99/816361999.db2.gz ACFGWCRPXWWDFM-SFHVURJKSA-N 1 3 288.435 3.091 20 10 CGCDHO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2N)c(O)c1 ZINC001236219219 819387079 /nfs/dbraw/zinc/38/70/79/819387079.db2.gz USHJFGABQXOEIQ-HZPDHXFCSA-N 1 3 276.424 3.217 20 10 CGCDHO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2N)c(O)c1 ZINC001236219219 819387081 /nfs/dbraw/zinc/38/70/81/819387081.db2.gz USHJFGABQXOEIQ-HZPDHXFCSA-N 1 3 276.424 3.217 20 10 CGCDHO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](N)CCC(C)(C)C)c1 ZINC001579230744 962622849 /nfs/dbraw/zinc/62/28/49/962622849.db2.gz YUGMBKUWUGVRJD-OLZOCXBDSA-N 1 3 294.439 3.205 20 10 CGCDHO Cc1ccc([O-])c(C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000292908785 525350304 /nfs/dbraw/zinc/35/03/04/525350304.db2.gz FFUPLKJKJYUHAL-UHFFFAOYSA-N 1 3 276.424 3.056 20 10 CGCDHO CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccccc1[O-] ZINC000044517443 618614877 /nfs/dbraw/zinc/61/48/77/618614877.db2.gz DBVMNOHREYZNGE-MRXNPFEDSA-N 1 3 276.424 3.165 20 10 CGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000773756981 627911347 /nfs/dbraw/zinc/91/13/47/627911347.db2.gz XYFBWJHFDJQQLW-YJBOKZPZSA-N 1 3 289.467 3.057 20 10 CGCDHO CCN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000773756981 627911350 /nfs/dbraw/zinc/91/13/50/627911350.db2.gz XYFBWJHFDJQQLW-YJBOKZPZSA-N 1 3 289.467 3.057 20 10 CGCDHO CC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817939078 632239451 /nfs/dbraw/zinc/23/94/51/632239451.db2.gz YOWMRPXBESSHDX-RBUKOAKNSA-N 1 3 297.446 3.493 20 10 CGCDHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946663 632243577 /nfs/dbraw/zinc/24/35/77/632243577.db2.gz CUGIQYDFOLWLAZ-HFTRVMKXSA-N 1 3 289.467 3.181 20 10 CGCDHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C)cc1[O-] ZINC000817947790 632244519 /nfs/dbraw/zinc/24/45/19/632244519.db2.gz QVEBLHMDEFLJAZ-LZWOXQAQSA-N 1 3 276.424 3.129 20 10 CGCDHO CCN(C)c1ccc([C@H](C)[NH2+]CC(N)(CC)CC)cc1 ZINC000817959349 632254922 /nfs/dbraw/zinc/25/49/22/632254922.db2.gz BQASOAHHDATXRJ-AWEZNQCLSA-N 1 3 277.456 3.311 20 10 CGCDHO Cc1ccc(O)c([C@H](C)NCCC[N@@H+](C)CC(C)C)c1 ZINC000846179219 636154572 /nfs/dbraw/zinc/15/45/72/636154572.db2.gz YZBCHVBVBHWTGB-HNNXBMFYSA-N 1 3 278.440 3.329 20 10 CGCDHO Cc1ccc(O)c([C@H](C)NCCC[N@H+](C)CC(C)C)c1 ZINC000846179219 636154575 /nfs/dbraw/zinc/15/45/75/636154575.db2.gz YZBCHVBVBHWTGB-HNNXBMFYSA-N 1 3 278.440 3.329 20 10 CGCDHO Cc1cc(O)c(C[N@@H+]2CC[C@](CN)(C(C)(C)C)C2)cc1C ZINC000873223801 634291186 /nfs/dbraw/zinc/29/11/86/634291186.db2.gz SMDBAJRMKVSZPX-GOSISDBHSA-N 1 3 290.451 3.206 20 10 CGCDHO Cc1cc(O)c(C[N@H+]2CC[C@](CN)(C(C)(C)C)C2)cc1C ZINC000873223801 634291193 /nfs/dbraw/zinc/29/11/93/634291193.db2.gz SMDBAJRMKVSZPX-GOSISDBHSA-N 1 3 290.451 3.206 20 10 CGCDHO Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC000876933243 634930560 /nfs/dbraw/zinc/93/05/60/634930560.db2.gz JWARBAJNTIVRAD-INIZCTEOSA-N 1 3 290.451 3.302 20 10 CGCDHO Cc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC000876933243 634930565 /nfs/dbraw/zinc/93/05/65/634930565.db2.gz JWARBAJNTIVRAD-INIZCTEOSA-N 1 3 290.451 3.302 20 10 CGCDHO COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1C ZINC000841030147 635109303 /nfs/dbraw/zinc/10/93/03/635109303.db2.gz TYJDHTOISBLHKM-AWEZNQCLSA-N 1 3 284.403 3.313 20 10 CGCDHO CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccccc1[O-] ZINC000843344315 635652435 /nfs/dbraw/zinc/65/24/35/635652435.db2.gz VGHMRMZQFGJYOB-MRXNPFEDSA-N 1 3 270.376 3.092 20 10 CGCDHO CC[C@@H](C)[N@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140301861 804408734 /nfs/dbraw/zinc/40/87/34/804408734.db2.gz BQNRKDQCNIWBCO-MRXNPFEDSA-N 1 3 289.467 3.059 20 10 CGCDHO CC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140301861 804408737 /nfs/dbraw/zinc/40/87/37/804408737.db2.gz BQNRKDQCNIWBCO-MRXNPFEDSA-N 1 3 289.467 3.059 20 10 CGCDHO Cc1cc(CN2CCCC[C@](C)(C[NH3+])C2)ccc1N(C)C ZINC001206556781 813351482 /nfs/dbraw/zinc/35/14/82/813351482.db2.gz XEJRZVZUZFIWIO-GOSISDBHSA-N 1 3 289.467 3.012 20 10 CGCDHO CC(C)c1ccc(C[N@H+](C)CCC2CC[NH2+]CC2)c([O-])c1 ZINC001235718330 819151452 /nfs/dbraw/zinc/15/14/52/819151452.db2.gz YKWGTZPOYDSCQV-UHFFFAOYSA-N 1 3 290.451 3.337 20 10 CGCDHO CC(C)c1ccc(C[N@@H+](C)CCC2CC[NH2+]CC2)c([O-])c1 ZINC001235718330 819151458 /nfs/dbraw/zinc/15/14/58/819151458.db2.gz YKWGTZPOYDSCQV-UHFFFAOYSA-N 1 3 290.451 3.337 20 10 CGCDHO C[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CCCC[C@H]1N ZINC001236219643 819386281 /nfs/dbraw/zinc/38/62/81/819386281.db2.gz XCVBUINXDAVXFY-CVEARBPZSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CCCC[C@H]1N ZINC001236219643 819386287 /nfs/dbraw/zinc/38/62/87/819386287.db2.gz XCVBUINXDAVXFY-CVEARBPZSA-N 1 3 290.451 3.391 20 10 CGCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCCC[NH2+]C(C)C ZINC001325745630 934927014 /nfs/dbraw/zinc/92/70/14/934927014.db2.gz YVLWQXLDFNXDKL-KBPBESRZSA-N 1 3 276.424 3.227 20 10 CGCDHO C[C@H](CC[NH+](C)C)NCc1ccc(N2CCCCC2)cc1 ZINC000049553582 369409208 /nfs/dbraw/zinc/40/92/08/369409208.db2.gz GWJKKVQXPPFBHT-MRXNPFEDSA-N 1 3 289.467 3.107 20 10 CGCDHO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000164424244 622834673 /nfs/dbraw/zinc/83/46/73/622834673.db2.gz BVLVDDZUVNTWKS-INIZCTEOSA-N 1 3 290.451 3.173 20 10 CGCDHO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000164424244 622834676 /nfs/dbraw/zinc/83/46/76/622834676.db2.gz BVLVDDZUVNTWKS-INIZCTEOSA-N 1 3 290.451 3.173 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c(O)c1C ZINC000756423900 626705253 /nfs/dbraw/zinc/70/52/53/626705253.db2.gz QDAKDFHLIJQROV-CZUORRHYSA-N 1 3 290.451 3.392 20 10 CGCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469565 627556765 /nfs/dbraw/zinc/55/67/65/627556765.db2.gz AEVNMMGIVDYEKF-CRAIPNDOSA-N 1 3 289.467 3.057 20 10 CGCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469565 627556767 /nfs/dbraw/zinc/55/67/67/627556767.db2.gz AEVNMMGIVDYEKF-CRAIPNDOSA-N 1 3 289.467 3.057 20 10 CGCDHO CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000775504497 628102029 /nfs/dbraw/zinc/10/20/29/628102029.db2.gz ZCDRWZDOXLREAC-SWLSCSKDSA-N 1 3 296.842 3.428 20 10 CGCDHO CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Cl)ccc1[O-] ZINC000775504497 628102030 /nfs/dbraw/zinc/10/20/30/628102030.db2.gz ZCDRWZDOXLREAC-SWLSCSKDSA-N 1 3 296.842 3.428 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000817955263 632249948 /nfs/dbraw/zinc/24/99/48/632249948.db2.gz UPBGNZNBKMDMJA-BEFAXECRSA-N 1 3 297.446 3.493 20 10 CGCDHO CC[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000817964464 632258816 /nfs/dbraw/zinc/25/88/16/632258816.db2.gz DRGVBBPIHYLXGE-HNNXBMFYSA-N 1 3 276.424 3.131 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c([O-])c1 ZINC000817976399 632267820 /nfs/dbraw/zinc/26/78/20/632267820.db2.gz LHAMVSZDRXUUNC-KBPBESRZSA-N 1 3 264.413 3.177 20 10 CGCDHO CC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(C)cc1[O-] ZINC000817977005 632268769 /nfs/dbraw/zinc/26/87/69/632268769.db2.gz YYOGWYDIKJZUNV-HIFRSBDPSA-N 1 3 264.413 3.259 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000817976935 632269179 /nfs/dbraw/zinc/26/91/79/632269179.db2.gz XEGYSERRECFTQD-SMDDNHRTSA-N 1 3 294.826 3.147 20 10 CGCDHO CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccc(C)cc1[O-] ZINC000817977004 632269199 /nfs/dbraw/zinc/26/91/99/632269199.db2.gz YYOGWYDIKJZUNV-DZGCQCFKSA-N 1 3 264.413 3.259 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CCC[NH3+])c1[O-] ZINC000817977321 632269280 /nfs/dbraw/zinc/26/92/80/632269280.db2.gz HSYIXKOMECGUPJ-MNOVXSKESA-N 1 3 270.804 3.132 20 10 CGCDHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978810 632270037 /nfs/dbraw/zinc/27/00/37/632270037.db2.gz DZJIFWBDWCNQBO-HOCLYGCPSA-N 1 3 275.440 3.065 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)c(O)c1C ZINC000817986304 632274753 /nfs/dbraw/zinc/27/47/53/632274753.db2.gz PMSBVQKWFDPYRD-GJZGRUSLSA-N 1 3 288.435 3.334 20 10 CGCDHO CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834566367 634183871 /nfs/dbraw/zinc/18/38/71/634183871.db2.gz LDPMYIWREZYQLE-MRXNPFEDSA-N 1 3 288.435 3.091 20 10 CGCDHO CCCN(CCC)c1ccc(C[NH2+]CC(C)(C)N)cc1 ZINC000841031379 635109246 /nfs/dbraw/zinc/10/92/46/635109246.db2.gz RYRQEMXWNKGPET-UHFFFAOYSA-N 1 3 277.456 3.140 20 10 CGCDHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000841054966 635115784 /nfs/dbraw/zinc/11/57/84/635115784.db2.gz IXNIGQVCOBSFMY-IAGOWNOFSA-N 1 3 287.451 3.036 20 10 CGCDHO CC(C)[NH+]1CCC(CC[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000877697009 635148322 /nfs/dbraw/zinc/14/83/22/635148322.db2.gz FDQZFKNQXULPJB-UHFFFAOYSA-N 1 3 294.414 3.131 20 10 CGCDHO CC[C@H]([NH2+]CC[C@@H]([NH3+])C(C)C)c1ccc(C)cc1[O-] ZINC000854230651 638029166 /nfs/dbraw/zinc/02/91/66/638029166.db2.gz VOFLQBNOKRHRSG-CABCVRRESA-N 1 3 264.413 3.115 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205591181 813014966 /nfs/dbraw/zinc/01/49/66/813014966.db2.gz GGLPPKQJURDMAJ-QGZVFWFLSA-N 1 3 294.414 3.169 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205591181 813014972 /nfs/dbraw/zinc/01/49/72/813014972.db2.gz GGLPPKQJURDMAJ-QGZVFWFLSA-N 1 3 294.414 3.169 20 10 CGCDHO [O-]c1ccccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161840 816366372 /nfs/dbraw/zinc/36/63/72/816366372.db2.gz RJLSOWARUNYZGY-GOSISDBHSA-N 1 3 288.435 3.138 20 10 CGCDHO [O-]c1ccccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222161840 816366380 /nfs/dbraw/zinc/36/63/80/816366380.db2.gz RJLSOWARUNYZGY-GOSISDBHSA-N 1 3 288.435 3.138 20 10 CGCDHO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCCC[C@H]1N ZINC001236217882 819384710 /nfs/dbraw/zinc/38/47/10/819384710.db2.gz QQSFYDILULPRSR-HZPDHXFCSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCCC[C@H]1N ZINC001236217882 819384716 /nfs/dbraw/zinc/38/47/16/819384716.db2.gz QQSFYDILULPRSR-HZPDHXFCSA-N 1 3 290.451 3.391 20 10 CGCDHO [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237400787 819744234 /nfs/dbraw/zinc/74/42/34/819744234.db2.gz AFDNQDDHIOYIEQ-YJBOKZPZSA-N 1 3 296.414 3.119 20 10 CGCDHO [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237400787 819744238 /nfs/dbraw/zinc/74/42/38/819744238.db2.gz AFDNQDDHIOYIEQ-YJBOKZPZSA-N 1 3 296.414 3.119 20 10 CGCDHO Cc1ccc([O-])c([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000168757867 372619264 /nfs/dbraw/zinc/61/92/64/372619264.db2.gz AKZUQOWAPWFQMA-CQSZACIVSA-N 1 3 276.424 3.083 20 10 CGCDHO CC[C@H](N[C@H](C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000268981134 378165041 /nfs/dbraw/zinc/16/50/41/378165041.db2.gz HSEFTLWBKCTOLC-PBHICJAKSA-N 1 3 277.456 3.134 20 10 CGCDHO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000038041962 174044096 /nfs/dbraw/zinc/04/40/96/174044096.db2.gz LCROUCVOKHZZNF-JKSUJKDBSA-N 1 3 290.451 3.473 20 10 CGCDHO C[C@@H](NCCC[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000151951888 261057377 /nfs/dbraw/zinc/05/73/77/261057377.db2.gz BJZRDLLUAFHELZ-MRXNPFEDSA-N 1 3 289.467 3.279 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295923471 276098042 /nfs/dbraw/zinc/09/80/42/276098042.db2.gz JWNAETGUXLUHOG-HOCLYGCPSA-N 1 3 290.451 3.480 20 10 CGCDHO CC[NH+]1CCC(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815576760 631797948 /nfs/dbraw/zinc/79/79/48/631797948.db2.gz XXFDKVGKDFGUBJ-HNNXBMFYSA-N 1 3 290.451 3.392 20 10 CGCDHO C[C@H](NCCC[NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000817938725 632239424 /nfs/dbraw/zinc/23/94/24/632239424.db2.gz QZHQSWPNLYCTDS-HNNXBMFYSA-N 1 3 275.440 3.066 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)c(O)c1C ZINC000817986320 632274506 /nfs/dbraw/zinc/27/45/06/632274506.db2.gz PMSBVQKWFDPYRD-LSDHHAIUSA-N 1 3 288.435 3.334 20 10 CGCDHO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1[O-] ZINC000872251533 634088903 /nfs/dbraw/zinc/08/89/03/634088903.db2.gz LVSBSMMTUQNCKA-CQSZACIVSA-N 1 3 296.842 3.222 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000854230345 638028454 /nfs/dbraw/zinc/02/84/54/638028454.db2.gz NPLNENMGLDFYTN-RHSMWYFYSA-N 1 3 277.456 3.167 20 10 CGCDHO CC[C@@H](c1ccc(C)cc1[O-])[NH+]1CCC([NH3+])(CC)CC1 ZINC000925757764 638599659 /nfs/dbraw/zinc/59/96/59/638599659.db2.gz JIUQNOYYGLRMLG-HNNXBMFYSA-N 1 3 276.424 3.355 20 10 CGCDHO Cc1c(CN2CCC3(C[NH+](C)C3)CC2)c2ccccc2n1C ZINC001138258468 803884252 /nfs/dbraw/zinc/88/42/52/803884252.db2.gz SPEQWHICHVAFKY-UHFFFAOYSA-N 1 3 297.446 3.014 20 10 CGCDHO COc1cc(C[NH+](C(C)C)C(C)C)cc(C[NH+](C)C)c1[O-] ZINC001139253384 804171869 /nfs/dbraw/zinc/17/18/69/804171869.db2.gz TWQMQECQRLQHMJ-UHFFFAOYSA-N 1 3 294.439 3.081 20 10 CGCDHO CC[C@@H]1C[C@@H](NCc2c(C)cc(C)cc2O)C[C@H](CC)[NH2+]1 ZINC001246343669 804296845 /nfs/dbraw/zinc/29/68/45/804296845.db2.gz NSVKNIIHZQFIGG-MUJYYYPQSA-N 1 3 290.451 3.408 20 10 CGCDHO CCN(CCC[NH+](C)C)Cc1cccc(C(C)(C)C)c1O ZINC001143116695 804804741 /nfs/dbraw/zinc/80/47/41/804804741.db2.gz KAPVQGQJMXLICH-UHFFFAOYSA-N 1 3 292.467 3.463 20 10 CGCDHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCC3)cc1)C2 ZINC001169095314 807573817 /nfs/dbraw/zinc/57/38/17/807573817.db2.gz PDTWTQGKGZXQAQ-LUPIEILUSA-N 1 3 299.462 3.002 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c([O-])c1 ZINC001205289387 812933070 /nfs/dbraw/zinc/93/30/70/812933070.db2.gz XEJDFYBBMJIZDJ-QGZVFWFLSA-N 1 3 276.424 3.219 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c([O-])c1 ZINC001205289387 812933075 /nfs/dbraw/zinc/93/30/75/812933075.db2.gz XEJDFYBBMJIZDJ-QGZVFWFLSA-N 1 3 276.424 3.219 20 10 CGCDHO Nc1ccc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222172793 816368959 /nfs/dbraw/zinc/36/89/59/816368959.db2.gz OBRVFOVWEXDMGY-GOSISDBHSA-N 1 3 287.451 3.015 20 10 CGCDHO Cc1ccc([O-])c(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236552583 819535386 /nfs/dbraw/zinc/53/53/86/819535386.db2.gz SINFGUNPRWORSA-QAQDUYKDSA-N 1 3 290.451 3.429 20 10 CGCDHO Cc1ccc([O-])c(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236552583 819535390 /nfs/dbraw/zinc/53/53/90/819535390.db2.gz SINFGUNPRWORSA-QAQDUYKDSA-N 1 3 290.451 3.429 20 10 CGCDHO Cc1ccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)c([O-])c1 ZINC001579696730 962657737 /nfs/dbraw/zinc/65/77/37/962657737.db2.gz BUZTYSYVXMKMCV-KRWDZBQOSA-N 1 3 288.435 3.103 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020089033 368799068 /nfs/dbraw/zinc/79/90/68/368799068.db2.gz MMJAPUAIHCRINF-AWEZNQCLSA-N 1 3 294.439 3.001 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020089031 368799606 /nfs/dbraw/zinc/79/96/06/368799606.db2.gz MMJAPUAIHCRINF-CQSZACIVSA-N 1 3 294.439 3.001 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c([O-])c1C ZINC000273561333 378752757 /nfs/dbraw/zinc/75/27/57/378752757.db2.gz IDSYCNQBOHYMKN-OAHLLOKOSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1cc(O)c(C[N@H+]2CCCC23CCN(C)CC3)cc1C ZINC000368952678 382382988 /nfs/dbraw/zinc/38/29/88/382382988.db2.gz WMFIGAQXNIJLDC-UHFFFAOYSA-N 1 3 288.435 3.069 20 10 CGCDHO Cc1cc(O)c(C[N@@H+]2CCCC23CCN(C)CC3)cc1C ZINC000368952678 382382996 /nfs/dbraw/zinc/38/29/96/382382996.db2.gz WMFIGAQXNIJLDC-UHFFFAOYSA-N 1 3 288.435 3.069 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)NC2CC[NH+](CC)CC2)cc1 ZINC000159274185 261182859 /nfs/dbraw/zinc/18/28/59/261182859.db2.gz QAANFWGDTIGQPG-OAHLLOKOSA-N 1 3 289.467 3.278 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(C)c1[O-] ZINC000159731427 327938346 /nfs/dbraw/zinc/93/83/46/327938346.db2.gz SELSPFZQGRJBMP-OAHLLOKOSA-N 1 3 278.440 3.301 20 10 CGCDHO C[C@H](CC[NH2+]Cc1ccc(N2CCCCC2)cc1)N(C)C ZINC000895300363 619800119 /nfs/dbraw/zinc/80/01/19/619800119.db2.gz UYUJINZLHPYFDT-MRXNPFEDSA-N 1 3 289.467 3.107 20 10 CGCDHO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000164424369 622834992 /nfs/dbraw/zinc/83/49/92/622834992.db2.gz BVLVDDZUVNTWKS-MRXNPFEDSA-N 1 3 290.451 3.173 20 10 CGCDHO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000164424369 622834994 /nfs/dbraw/zinc/83/49/94/622834994.db2.gz BVLVDDZUVNTWKS-MRXNPFEDSA-N 1 3 290.451 3.173 20 10 CGCDHO CCN(CC)c1ccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000817888236 632228938 /nfs/dbraw/zinc/22/89/38/632228938.db2.gz KAVHLMLPZBKFBK-CRAIPNDOSA-N 1 3 289.467 3.011 20 10 CGCDHO C[C@@H](C[NH3+])C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817962708 632257615 /nfs/dbraw/zinc/25/76/15/632257615.db2.gz NLOIEFNYMNHSOV-MAUKXSAKSA-N 1 3 298.430 3.251 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c([O-])c1 ZINC000817976490 632267251 /nfs/dbraw/zinc/26/72/51/632267251.db2.gz ZZHLKTNRVKMYMZ-BZUAXINKSA-N 1 3 290.451 3.425 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c([O-])c1 ZINC000817976402 632267675 /nfs/dbraw/zinc/26/76/75/632267675.db2.gz LHAMVSZDRXUUNC-ZIAGYGMSSA-N 1 3 264.413 3.177 20 10 CGCDHO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1)[C@H](C)N ZINC000817977416 632268866 /nfs/dbraw/zinc/26/88/66/632268866.db2.gz JXKAGNRYEMMINW-XHSDSOJGSA-N 1 3 289.467 3.453 20 10 CGCDHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978811 632270680 /nfs/dbraw/zinc/27/06/80/632270680.db2.gz DZJIFWBDWCNQBO-ZBFHGGJFSA-N 1 3 275.440 3.065 20 10 CGCDHO Cc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c([O-])c1 ZINC000877496343 635060418 /nfs/dbraw/zinc/06/04/18/635060418.db2.gz PJIDMTUMOWLWAJ-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO Cc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c([O-])c1 ZINC000877496343 635060422 /nfs/dbraw/zinc/06/04/22/635060422.db2.gz PJIDMTUMOWLWAJ-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO CC[C@@H]([NH2+]CCCCCC[NH3+])c1ccc(C)cc1[O-] ZINC000843340325 635648950 /nfs/dbraw/zinc/64/89/50/635648950.db2.gz AYTZYENYFLCUGT-OAHLLOKOSA-N 1 3 264.413 3.260 20 10 CGCDHO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556132 637119865 /nfs/dbraw/zinc/11/98/65/637119865.db2.gz QYNAHGLWWTZJCE-RDJZCZTQSA-N 1 3 289.467 3.278 20 10 CGCDHO CCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556132 637119873 /nfs/dbraw/zinc/11/98/73/637119873.db2.gz QYNAHGLWWTZJCE-RDJZCZTQSA-N 1 3 289.467 3.278 20 10 CGCDHO Nc1ccc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222172794 816369071 /nfs/dbraw/zinc/36/90/71/816369071.db2.gz OBRVFOVWEXDMGY-SFHVURJKSA-N 1 3 287.451 3.015 20 10 CGCDHO CCC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C[C@H]1CC[NH2+]C1 ZINC001236842686 819619276 /nfs/dbraw/zinc/61/92/76/819619276.db2.gz HJFGNGDGQXEBGW-ZDUSSCGKSA-N 1 3 296.842 3.176 20 10 CGCDHO CCC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C[C@H]1CC[NH2+]C1 ZINC001236842686 819619277 /nfs/dbraw/zinc/61/92/77/819619277.db2.gz HJFGNGDGQXEBGW-ZDUSSCGKSA-N 1 3 296.842 3.176 20 10 CGCDHO NC1(C[NH2+]Cc2ccc(N3CCCC3)cc2)CCCCC1 ZINC001348515056 936924512 /nfs/dbraw/zinc/92/45/12/936924512.db2.gz JIJKXTXGAPCJQD-UHFFFAOYSA-N 1 3 287.451 3.038 20 10 CGCDHO CC(C)N(Cc1ccc(N(C)C)cc1)CC1(C[NH3+])CCC1 ZINC001575690428 962411481 /nfs/dbraw/zinc/41/14/81/962411481.db2.gz WTIKUXGEBORZOR-UHFFFAOYSA-N 1 3 289.467 3.092 20 10 CGCDHO CC[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000271849964 378509738 /nfs/dbraw/zinc/50/97/38/378509738.db2.gz ILADANIRYKPCRL-SFHVURJKSA-N 1 3 287.451 3.055 20 10 CGCDHO CC[C@H](NCCC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000178413122 618382826 /nfs/dbraw/zinc/38/28/26/618382826.db2.gz YTTGVEHBJXSQFQ-SFHVURJKSA-N 1 3 289.467 3.279 20 10 CGCDHO CC[C@H]([NH2+]CCCN1CCCC1)c1ccc(N(C)C)cc1 ZINC000178413122 618382838 /nfs/dbraw/zinc/38/28/38/618382838.db2.gz YTTGVEHBJXSQFQ-SFHVURJKSA-N 1 3 289.467 3.279 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c([O-])c1 ZINC000840810658 626207219 /nfs/dbraw/zinc/20/72/19/626207219.db2.gz VLSVRCNNSHOIBF-CVEARBPZSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c([O-])c1 ZINC000840810658 626207229 /nfs/dbraw/zinc/20/72/29/626207229.db2.gz VLSVRCNNSHOIBF-CVEARBPZSA-N 1 3 290.451 3.392 20 10 CGCDHO CC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817939079 632238722 /nfs/dbraw/zinc/23/87/22/632238722.db2.gz YOWMRPXBESSHDX-RTBURBONSA-N 1 3 297.446 3.493 20 10 CGCDHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(C)cc1[O-] ZINC000817947789 632244441 /nfs/dbraw/zinc/24/44/41/632244441.db2.gz QVEBLHMDEFLJAZ-FMKPAKJESA-N 1 3 276.424 3.129 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000817955264 632249968 /nfs/dbraw/zinc/24/99/68/632249968.db2.gz UPBGNZNBKMDMJA-DNVCBOLYSA-N 1 3 297.446 3.493 20 10 CGCDHO CCN(C)c1ccc([C@H](C)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000817955265 632250316 /nfs/dbraw/zinc/25/03/16/632250316.db2.gz UPBGNZNBKMDMJA-HNAYVOBHSA-N 1 3 297.446 3.493 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CN)c1ccc(N(C)C)cc1 ZINC000817960775 632256496 /nfs/dbraw/zinc/25/64/96/632256496.db2.gz RKJARVQSRJYBFO-RYQLBKOJSA-N 1 3 289.467 3.311 20 10 CGCDHO CC[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000817964465 632258574 /nfs/dbraw/zinc/25/85/74/632258574.db2.gz DRGVBBPIHYLXGE-OAHLLOKOSA-N 1 3 276.424 3.131 20 10 CGCDHO C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000817963593 632259199 /nfs/dbraw/zinc/25/91/99/632259199.db2.gz UXIQITFMJUOAMS-CHWSQXEVSA-N 1 3 270.376 3.263 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c([O-])c1 ZINC000817976400 632267430 /nfs/dbraw/zinc/26/74/30/632267430.db2.gz LHAMVSZDRXUUNC-KGLIPLIRSA-N 1 3 264.413 3.177 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1[O-] ZINC000817987484 632275861 /nfs/dbraw/zinc/27/58/61/632275861.db2.gz ZRHZTJKZWHLSSF-LBPRGKRZSA-N 1 3 294.826 3.314 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c([O-])c1 ZINC000873245707 634299434 /nfs/dbraw/zinc/29/94/34/634299434.db2.gz TXLJMFRJOQBPIH-UONOGXRCSA-N 1 3 276.424 3.129 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000840935289 635085073 /nfs/dbraw/zinc/08/50/73/635085073.db2.gz KRUZGBBXQMGRFJ-IRXDYDNUSA-N 1 3 289.467 3.023 20 10 CGCDHO C[NH2+]CCC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000843057356 635553649 /nfs/dbraw/zinc/55/36/49/635553649.db2.gz JBYYEPCAOGTCFG-UHFFFAOYSA-N 1 3 296.842 3.176 20 10 CGCDHO Cc1cc(Cl)cc(CN2CCCC[C@H]2CC[NH3+])c1O ZINC000843124292 635561041 /nfs/dbraw/zinc/56/10/41/635561041.db2.gz XKOMXBMHYAIKIZ-AWEZNQCLSA-N 1 3 282.815 3.057 20 10 CGCDHO C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000844925546 635986344 /nfs/dbraw/zinc/98/63/44/635986344.db2.gz ROTIDFFWQUTLKX-BXUZGUMPSA-N 1 3 292.398 3.059 20 10 CGCDHO CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000854230564 638028986 /nfs/dbraw/zinc/02/89/86/638028986.db2.gz UPRQUMWKLAXMEF-UHTWSYAYSA-N 1 3 280.387 3.043 20 10 CGCDHO CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccccc1[O-] ZINC000155678842 639945006 /nfs/dbraw/zinc/94/50/06/639945006.db2.gz NWCIFVDLMQMNKC-INIZCTEOSA-N 1 3 276.424 3.165 20 10 CGCDHO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1[O-] ZINC001276374230 809004617 /nfs/dbraw/zinc/00/46/17/809004617.db2.gz SKNCEZUXGSUTHH-ALOPSCKCSA-N 1 3 296.414 3.260 20 10 CGCDHO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1[O-] ZINC001276374230 809004625 /nfs/dbraw/zinc/00/46/25/809004625.db2.gz SKNCEZUXGSUTHH-ALOPSCKCSA-N 1 3 296.414 3.260 20 10 CGCDHO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1[O-] ZINC001205651911 813042765 /nfs/dbraw/zinc/04/27/65/813042765.db2.gz LPWTXCRSQWCKDV-WCQYABFASA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1[O-] ZINC001205651911 813042775 /nfs/dbraw/zinc/04/27/75/813042775.db2.gz LPWTXCRSQWCKDV-WCQYABFASA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001236605919 819549853 /nfs/dbraw/zinc/54/98/53/819549853.db2.gz WYLINLVDEBHQEE-IBGZPJMESA-N 1 3 297.446 3.265 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c([O-])c1C ZINC000273421431 378746769 /nfs/dbraw/zinc/74/67/69/378746769.db2.gz JMJTUUMNZRQNJX-HNNXBMFYSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c([O-])c1 ZINC000284858713 380142751 /nfs/dbraw/zinc/14/27/51/380142751.db2.gz ALGKNPGTVOLMNX-HNNXBMFYSA-N 1 3 290.451 3.392 20 10 CGCDHO CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccccc1[O-] ZINC000229574099 333306323 /nfs/dbraw/zinc/30/63/23/333306323.db2.gz JGGNHIAETGJXGS-OAHLLOKOSA-N 1 3 276.424 3.165 20 10 CGCDHO Cc1ccc([O-])c([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000278356560 525362834 /nfs/dbraw/zinc/36/28/34/525362834.db2.gz CPWIUJSBBLFDOW-AWEZNQCLSA-N 1 3 288.435 3.226 20 10 CGCDHO CCC[NH+]1CCC(N(C)Cc2cc(C)ccc2O)CC1 ZINC000092165804 618872780 /nfs/dbraw/zinc/87/27/80/618872780.db2.gz VPKHIYJAQXUFIJ-UHFFFAOYSA-N 1 3 276.424 3.007 20 10 CGCDHO CCC1(N2CCC2)CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000895828018 619889751 /nfs/dbraw/zinc/88/97/51/619889751.db2.gz RNYQBZFZFHVIFT-UHFFFAOYSA-N 1 3 288.435 3.151 20 10 CGCDHO CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(C)cc1[O-] ZINC000840809345 626192390 /nfs/dbraw/zinc/19/23/90/626192390.db2.gz JRUGZIQXLJPPOG-NVXWUHKLSA-N 1 3 290.451 3.473 20 10 CGCDHO CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1[O-] ZINC000840809345 626192391 /nfs/dbraw/zinc/19/23/91/626192391.db2.gz JRUGZIQXLJPPOG-NVXWUHKLSA-N 1 3 290.451 3.473 20 10 CGCDHO CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccccc1[O-] ZINC000817947695 632244561 /nfs/dbraw/zinc/24/45/61/632244561.db2.gz FUFSNJSGXZWWCN-QGZVFWFLSA-N 1 3 284.403 3.134 20 10 CGCDHO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1)[C@H](C)N ZINC000817978112 632268884 /nfs/dbraw/zinc/26/88/84/632268884.db2.gz WETIXKIJQPTYIE-ZNMIVQPWSA-N 1 3 275.440 3.063 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c([O-])c1 ZINC000817986361 632273936 /nfs/dbraw/zinc/27/39/36/632273936.db2.gz LGPXKZACKBPGEH-YHUYYLMFSA-N 1 3 288.435 3.048 20 10 CGCDHO C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccccc1[O-] ZINC000873235612 634295416 /nfs/dbraw/zinc/29/54/16/634295416.db2.gz QLCTUQNYWYDTHH-ZBFHGGJFSA-N 1 3 284.403 3.003 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)c([O-])c1 ZINC000873234778 634295558 /nfs/dbraw/zinc/29/55/58/634295558.db2.gz HVHLVFWKDJNTGJ-NVXWUHKLSA-N 1 3 298.430 3.311 20 10 CGCDHO Cc1cc(Cl)cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1[O-] ZINC000835064456 634343505 /nfs/dbraw/zinc/34/35/05/634343505.db2.gz WDLARKDINPPMSA-UHFFFAOYSA-N 1 3 296.842 3.318 20 10 CGCDHO Cc1cc(Cl)cc(C[NH2+]CCCC[N@H+](C)C2CC2)c1[O-] ZINC000835064456 634343510 /nfs/dbraw/zinc/34/35/10/634343510.db2.gz WDLARKDINPPMSA-UHFFFAOYSA-N 1 3 296.842 3.318 20 10 CGCDHO Cc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c([O-])c1 ZINC000876768775 634896736 /nfs/dbraw/zinc/89/67/36/634896736.db2.gz MVFRKMAAQIKGHE-UHFFFAOYSA-N 1 3 290.451 3.254 20 10 CGCDHO CCN(CC)c1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000841057114 635115408 /nfs/dbraw/zinc/11/54/08/635115408.db2.gz IIETUUQDHRWJJZ-LSDHHAIUSA-N 1 3 293.430 3.031 20 10 CGCDHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000841054968 635115445 /nfs/dbraw/zinc/11/54/45/635115445.db2.gz IXNIGQVCOBSFMY-SJORKVTESA-N 1 3 287.451 3.036 20 10 CGCDHO CCN(CC)c1ccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000843050918 635550181 /nfs/dbraw/zinc/55/01/81/635550181.db2.gz BCAYKTFQHRYGMI-WBVHZDCISA-N 1 3 289.467 3.092 20 10 CGCDHO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[NH3+])cc2)c1[O-] ZINC000843129077 635563742 /nfs/dbraw/zinc/56/37/42/635563742.db2.gz QODVLSBLMWIBNB-UHFFFAOYSA-N 1 3 290.794 3.103 20 10 CGCDHO Cc1ccc([C@@H](C)NCCC[N@@H+](C)CC(C)C)c(O)c1 ZINC000846178430 636153814 /nfs/dbraw/zinc/15/38/14/636153814.db2.gz VDMFILJFUMMZAY-OAHLLOKOSA-N 1 3 278.440 3.329 20 10 CGCDHO Cc1ccc([C@@H](C)NCCC[N@H+](C)CC(C)C)c(O)c1 ZINC000846178430 636153816 /nfs/dbraw/zinc/15/38/16/636153816.db2.gz VDMFILJFUMMZAY-OAHLLOKOSA-N 1 3 278.440 3.329 20 10 CGCDHO Cc1cc(CNC2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC000386400533 799436116 /nfs/dbraw/zinc/43/61/16/799436116.db2.gz LOAHVFFPXNCXFJ-UHFFFAOYSA-N 1 3 297.446 3.278 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(NC(=N)SCC[NH3+])cc1 ZINC001167915978 807274187 /nfs/dbraw/zinc/27/41/87/807274187.db2.gz ZJHKEFZVTJVFSX-UHFFFAOYSA-N 1 3 288.420 3.133 20 10 CGCDHO C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157459 935191057 /nfs/dbraw/zinc/19/10/57/935191057.db2.gz WZFQLPDIHVJSAT-GDBMZVCRSA-N 1 3 289.467 3.276 20 10 CGCDHO C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157459 935191061 /nfs/dbraw/zinc/19/10/61/935191061.db2.gz WZFQLPDIHVJSAT-GDBMZVCRSA-N 1 3 289.467 3.276 20 10 CGCDHO [O-]c1cccc2c1[C@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC000297335109 263203327 /nfs/dbraw/zinc/20/33/27/263203327.db2.gz OFWJDUHNWZKPJA-MRXNPFEDSA-N 1 3 288.435 3.235 20 10 CGCDHO CC[C@@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(N(C)C)cc1 ZINC000163264664 620210492 /nfs/dbraw/zinc/21/04/92/620210492.db2.gz CBBSQMSMCWQQHP-MAUKXSAKSA-N 1 3 289.467 3.135 20 10 CGCDHO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)[C@@H](C)N)cc1 ZINC000841082161 622275844 /nfs/dbraw/zinc/27/58/44/622275844.db2.gz WOUYBEQMKDLFGE-CABCVRRESA-N 1 3 277.456 3.138 20 10 CGCDHO CC[NH+](CC)CCCN[C@@H](C)c1ccc(C)c(C)c1O ZINC000756340955 626693481 /nfs/dbraw/zinc/69/34/81/626693481.db2.gz KBBRIHXUJXHMNW-HNNXBMFYSA-N 1 3 278.440 3.392 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1[O-] ZINC000808709387 630667957 /nfs/dbraw/zinc/66/79/57/630667957.db2.gz FOZBGMLSNGHIRE-GFCCVEGCSA-N 1 3 294.826 3.267 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1[O-] ZINC000808709387 630667959 /nfs/dbraw/zinc/66/79/59/630667959.db2.gz FOZBGMLSNGHIRE-GFCCVEGCSA-N 1 3 294.826 3.267 20 10 CGCDHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000873245965 634299461 /nfs/dbraw/zinc/29/94/61/634299461.db2.gz QPJZTVQUCCCZBA-GOEBONIOSA-N 1 3 289.467 3.181 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000876933248 634931160 /nfs/dbraw/zinc/93/11/60/634931160.db2.gz JZEPCLYZODHLJM-HNNXBMFYSA-N 1 3 290.451 3.302 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000876933248 634931166 /nfs/dbraw/zinc/93/11/66/634931166.db2.gz JZEPCLYZODHLJM-HNNXBMFYSA-N 1 3 290.451 3.302 20 10 CGCDHO CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccccc1[O-] ZINC000844925239 635986490 /nfs/dbraw/zinc/98/64/90/635986490.db2.gz SIXCJJBPKRAMOW-KRWDZBQOSA-N 1 3 284.403 3.353 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c1[O-] ZINC000844926468 635986809 /nfs/dbraw/zinc/98/68/09/635986809.db2.gz UUKSXGGQPNQITG-GFCCVEGCSA-N 1 3 296.842 3.394 20 10 CGCDHO C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1[O-] ZINC000850584608 637133079 /nfs/dbraw/zinc/13/30/79/637133079.db2.gz SRVVBRUQVLUMMU-CQSZACIVSA-N 1 3 288.435 3.165 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000854222610 638025923 /nfs/dbraw/zinc/02/59/23/638025923.db2.gz IDPLXUCQUFGNHA-CQSZACIVSA-N 1 3 275.440 3.065 20 10 CGCDHO C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1[O-] ZINC000927039032 638834948 /nfs/dbraw/zinc/83/49/48/638834948.db2.gz SEINSMKREINDPQ-SYJJWHGVSA-N 1 3 288.435 3.450 20 10 CGCDHO CCCC[N@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140300368 804409071 /nfs/dbraw/zinc/40/90/71/804409071.db2.gz MPZCCHITYGITOH-UHFFFAOYSA-N 1 3 289.467 3.060 20 10 CGCDHO CCCC[N@@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140300368 804409074 /nfs/dbraw/zinc/40/90/74/804409074.db2.gz MPZCCHITYGITOH-UHFFFAOYSA-N 1 3 289.467 3.060 20 10 CGCDHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c(O)c1 ZINC001172113282 808180361 /nfs/dbraw/zinc/18/03/61/808180361.db2.gz GCDGUACMVAQFNJ-MUJYYYPQSA-N 1 3 288.435 3.114 20 10 CGCDHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c([O-])c1 ZINC001205287896 812931647 /nfs/dbraw/zinc/93/16/47/812931647.db2.gz CUAKOZZVWZIOGB-GOSISDBHSA-N 1 3 290.451 3.393 20 10 CGCDHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)c([O-])c1 ZINC001205287896 812931652 /nfs/dbraw/zinc/93/16/52/812931652.db2.gz CUAKOZZVWZIOGB-GOSISDBHSA-N 1 3 290.451 3.393 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c([O-])c1 ZINC001205652839 813041465 /nfs/dbraw/zinc/04/14/65/813041465.db2.gz RIUYMPHQFJXNPQ-GOEBONIOSA-N 1 3 290.451 3.322 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c([O-])c1 ZINC001205652839 813041475 /nfs/dbraw/zinc/04/14/75/813041475.db2.gz RIUYMPHQFJXNPQ-GOEBONIOSA-N 1 3 290.451 3.322 20 10 CGCDHO CC(C)c1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c([O-])c1 ZINC001237053503 819654120 /nfs/dbraw/zinc/65/41/20/819654120.db2.gz LTYFELJHJWNLJB-UHFFFAOYSA-N 1 3 290.451 3.289 20 10 CGCDHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000151106588 371570813 /nfs/dbraw/zinc/57/08/13/371570813.db2.gz QUEMAWBETGRHEI-HOTGVXAUSA-N 1 3 289.467 3.135 20 10 CGCDHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000151106588 371570816 /nfs/dbraw/zinc/57/08/16/371570816.db2.gz QUEMAWBETGRHEI-HOTGVXAUSA-N 1 3 289.467 3.135 20 10 CGCDHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000151106588 371570819 /nfs/dbraw/zinc/57/08/19/371570819.db2.gz QUEMAWBETGRHEI-HOTGVXAUSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc2c(cc1[O-])CCCC2 ZINC000273367580 378742508 /nfs/dbraw/zinc/74/25/08/378742508.db2.gz BTGAGNSAJVSMLZ-CQSZACIVSA-N 1 3 290.451 3.263 20 10 CGCDHO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1C ZINC000363846379 382258908 /nfs/dbraw/zinc/25/89/08/382258908.db2.gz CHXRLYXXLRSQNT-JYJNAYRXSA-N 1 3 288.435 3.286 20 10 CGCDHO Cc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1C ZINC000363846379 382258916 /nfs/dbraw/zinc/25/89/16/382258916.db2.gz CHXRLYXXLRSQNT-JYJNAYRXSA-N 1 3 288.435 3.286 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295923467 279101704 /nfs/dbraw/zinc/10/17/04/279101704.db2.gz JWNAETGUXLUHOG-GOEBONIOSA-N 1 3 290.451 3.480 20 10 CGCDHO CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183493102 619044672 /nfs/dbraw/zinc/04/46/72/619044672.db2.gz XNTSWUDMLANQRA-CQSZACIVSA-N 1 3 276.424 3.165 20 10 CGCDHO C[C@H](NCCC(C)(C)[NH3+])c1ccc(N2CCCCC2)cc1 ZINC000925740957 619213119 /nfs/dbraw/zinc/21/31/19/619213119.db2.gz LLHLILLJVGUUPE-HNNXBMFYSA-N 1 3 289.467 3.455 20 10 CGCDHO CCCN(CCC)c1ccc(C[NH2+][C@@H](C)[C@H](C)N)cc1 ZINC000841082162 622275749 /nfs/dbraw/zinc/27/57/49/622275749.db2.gz WOUYBEQMKDLFGE-GJZGRUSLSA-N 1 3 277.456 3.138 20 10 CGCDHO Cc1ccc(O)c([C@@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000230658142 623261204 /nfs/dbraw/zinc/26/12/04/623261204.db2.gz MOVFQFDBXSPSCN-CQSZACIVSA-N 1 3 264.413 3.082 20 10 CGCDHO Cc1ccc(O)c([C@@H](C)NCCC[N@H+](C)C(C)C)c1 ZINC000230658142 623261212 /nfs/dbraw/zinc/26/12/12/623261212.db2.gz MOVFQFDBXSPSCN-CQSZACIVSA-N 1 3 264.413 3.082 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000766166433 627300661 /nfs/dbraw/zinc/30/06/61/627300661.db2.gz QWMTWXOTPBQQRH-ZOBUZTSGSA-N 1 3 289.467 3.276 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000766166433 627300663 /nfs/dbraw/zinc/30/06/63/627300663.db2.gz QWMTWXOTPBQQRH-ZOBUZTSGSA-N 1 3 289.467 3.276 20 10 CGCDHO CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(C)cc1[O-] ZINC000817946844 632243726 /nfs/dbraw/zinc/24/37/26/632243726.db2.gz GFQKIHHQBRYWPU-PIMMBPRGSA-N 1 3 262.397 3.011 20 10 CGCDHO CC[C@H]([NH2+]CC(N)(CC)CC)c1ccc(N(C)C)cc1 ZINC000817961174 632257566 /nfs/dbraw/zinc/25/75/66/632257566.db2.gz YJIZORVKRYVABH-INIZCTEOSA-N 1 3 277.456 3.311 20 10 CGCDHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817962715 632257993 /nfs/dbraw/zinc/25/79/93/632257993.db2.gz NNUGLADORCASEO-KGLIPLIRSA-N 1 3 293.430 3.061 20 10 CGCDHO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000817962873 632258557 /nfs/dbraw/zinc/25/85/57/632258557.db2.gz MLDHJEANVJLDQR-BLLLJJGKSA-N 1 3 282.387 3.189 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])c1[O-] ZINC000817977320 632268613 /nfs/dbraw/zinc/26/86/13/632268613.db2.gz HSYIXKOMECGUPJ-GHMZBOCLSA-N 1 3 270.804 3.132 20 10 CGCDHO CC[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C)cc1[O-] ZINC000817981871 632272062 /nfs/dbraw/zinc/27/20/62/632272062.db2.gz WAWDCLRHBXRQAC-ZBFHGGJFSA-N 1 3 276.424 3.274 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000817982473 632273272 /nfs/dbraw/zinc/27/32/72/632273272.db2.gz SSJZSOJYHUWEEV-RDTXWAMCSA-N 1 3 289.467 3.311 20 10 CGCDHO CC[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C)cc1[O-] ZINC000873239355 634296419 /nfs/dbraw/zinc/29/64/19/634296419.db2.gz UIKYFHJECIUZPW-IIAWOOMASA-N 1 3 276.424 3.259 20 10 CGCDHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000873245964 634299214 /nfs/dbraw/zinc/29/92/14/634299214.db2.gz QPJZTVQUCCCZBA-GDBMZVCRSA-N 1 3 289.467 3.181 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c([O-])c1 ZINC000843343854 635651061 /nfs/dbraw/zinc/65/10/61/635651061.db2.gz IINNZRBXCCTRAE-CYBMUJFWSA-N 1 3 270.376 3.010 20 10 CGCDHO C[C@H]1CCNCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205325195 812955727 /nfs/dbraw/zinc/95/57/27/812955727.db2.gz LOCPBSYQTICPCS-HNNXBMFYSA-N 1 3 297.446 3.090 20 10 CGCDHO C[C@H]1CCNCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001205325195 812955735 /nfs/dbraw/zinc/95/57/35/812955735.db2.gz LOCPBSYQTICPCS-HNNXBMFYSA-N 1 3 297.446 3.090 20 10 CGCDHO C[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CCCC[C@@H]1N ZINC001236219644 819385401 /nfs/dbraw/zinc/38/54/01/819385401.db2.gz XCVBUINXDAVXFY-HOTGVXAUSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@H]1CCCC[C@@H]1N ZINC001236219644 819385403 /nfs/dbraw/zinc/38/54/03/819385403.db2.gz XCVBUINXDAVXFY-HOTGVXAUSA-N 1 3 290.451 3.391 20 10 CGCDHO CCC[N@@H+](Cc1cc(Cl)cc(C)c1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236842684 819618268 /nfs/dbraw/zinc/61/82/68/819618268.db2.gz HJFGNGDGQXEBGW-CYBMUJFWSA-N 1 3 296.842 3.176 20 10 CGCDHO CCC[N@H+](Cc1cc(Cl)cc(C)c1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236842684 819618270 /nfs/dbraw/zinc/61/82/70/819618270.db2.gz HJFGNGDGQXEBGW-CYBMUJFWSA-N 1 3 296.842 3.176 20 10 CGCDHO CCN(CC)c1ccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000841034993 620416826 /nfs/dbraw/zinc/41/68/26/620416826.db2.gz YHVWHVMKVJCBJE-WBVHZDCISA-N 1 3 289.467 3.011 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1[O-] ZINC000817947484 632244187 /nfs/dbraw/zinc/24/41/87/632244187.db2.gz OKFOHKNRLBAWNE-AGIUHOORSA-N 1 3 296.842 3.393 20 10 CGCDHO CC[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(C)cc1[O-] ZINC000817949453 632245699 /nfs/dbraw/zinc/24/56/99/632245699.db2.gz QZJLQANWVITTFT-GOSISDBHSA-N 1 3 298.430 3.443 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C)cc1[O-] ZINC000817969358 632263278 /nfs/dbraw/zinc/26/32/78/632263278.db2.gz CHUXFUXJLJGFFM-GUTXKFCHSA-N 1 3 262.397 3.011 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N2CCC([NH3+])(CC)CC2)cc1 ZINC000925758145 638599537 /nfs/dbraw/zinc/59/95/37/638599537.db2.gz YWQLAVIHFWCBKW-HNNXBMFYSA-N 1 3 289.467 3.407 20 10 CGCDHO CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccccc2[O-])C1 ZINC000155275006 639927097 /nfs/dbraw/zinc/92/70/97/639927097.db2.gz FYPMGBAXIDCJPU-HOCLYGCPSA-N 1 3 276.424 3.165 20 10 CGCDHO CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2ccccc2[O-])C1 ZINC000155275006 639927106 /nfs/dbraw/zinc/92/71/06/639927106.db2.gz FYPMGBAXIDCJPU-HOCLYGCPSA-N 1 3 276.424 3.165 20 10 CGCDHO CCC[NH+](CCC)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139253505 804172072 /nfs/dbraw/zinc/17/20/72/804172072.db2.gz WHDGKZCNUYEUIQ-UHFFFAOYSA-N 1 3 294.439 3.084 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c([O-])c1 ZINC001206639528 813382799 /nfs/dbraw/zinc/38/27/99/813382799.db2.gz DNSBRKNCWICDQK-AWEZNQCLSA-N 1 3 276.424 3.076 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)c([O-])c1 ZINC001206639528 813382805 /nfs/dbraw/zinc/38/28/05/813382805.db2.gz DNSBRKNCWICDQK-AWEZNQCLSA-N 1 3 276.424 3.076 20 10 CGCDHO Nc1ccc(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236377189 819442409 /nfs/dbraw/zinc/44/24/09/819442409.db2.gz XVGGOXOWNAIPGD-MRXNPFEDSA-N 1 3 287.451 3.013 20 10 CGCDHO Nc1ccc(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)cc1 ZINC001236377189 819442416 /nfs/dbraw/zinc/44/24/16/819442416.db2.gz XVGGOXOWNAIPGD-MRXNPFEDSA-N 1 3 287.451 3.013 20 10 CGCDHO C[C@H]1[C@@H](N)CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420485 819467336 /nfs/dbraw/zinc/46/73/36/819467336.db2.gz MTYHFOHBERDWCP-KSSFIOAISA-N 1 3 297.446 3.217 20 10 CGCDHO C[C@H]1[C@@H](N)CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420485 819467339 /nfs/dbraw/zinc/46/73/39/819467339.db2.gz MTYHFOHBERDWCP-KSSFIOAISA-N 1 3 297.446 3.217 20 10 CGCDHO Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000230671988 333320549 /nfs/dbraw/zinc/32/05/49/333320549.db2.gz WBDRFAIHAUXOFS-CQSZACIVSA-N 1 3 276.424 3.083 20 10 CGCDHO CC(C)[NH+]1CCC(N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000037236715 519672845 /nfs/dbraw/zinc/67/28/45/519672845.db2.gz MRQGLSHHHLGPCM-OAHLLOKOSA-N 1 3 289.467 3.276 20 10 CGCDHO CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(C)cc1[O-] ZINC000280081000 522825115 /nfs/dbraw/zinc/82/51/15/522825115.db2.gz LTMHOWAFISVUAO-QGZVFWFLSA-N 1 3 290.451 3.473 20 10 CGCDHO CC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(C)cc1[O-] ZINC000925841780 619290604 /nfs/dbraw/zinc/29/06/04/619290604.db2.gz SIXHSOKOGJMWAP-CGTJXYLNSA-N 1 3 288.435 3.274 20 10 CGCDHO CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccccc1[O-] ZINC000839182917 626326730 /nfs/dbraw/zinc/32/67/30/626326730.db2.gz RTXWYXSZOYBTMU-GDBMZVCRSA-N 1 3 276.424 3.165 20 10 CGCDHO CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1[O-] ZINC000839182917 626326733 /nfs/dbraw/zinc/32/67/33/626326733.db2.gz RTXWYXSZOYBTMU-GDBMZVCRSA-N 1 3 276.424 3.165 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCC[NH+](C)C)c1[O-] ZINC000808683617 630664430 /nfs/dbraw/zinc/66/44/30/630664430.db2.gz HMHNLLODGWWQAI-GFCCVEGCSA-N 1 3 284.831 3.346 20 10 CGCDHO CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946665 632243062 /nfs/dbraw/zinc/24/30/62/632243062.db2.gz CUGIQYDFOLWLAZ-LESCRADOSA-N 1 3 289.467 3.181 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1[O-] ZINC000817947486 632244814 /nfs/dbraw/zinc/24/48/14/632244814.db2.gz OKFOHKNRLBAWNE-FRRDWIJNSA-N 1 3 296.842 3.393 20 10 CGCDHO CC[C@H](N[C@H](C[NH3+])CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958179 632253556 /nfs/dbraw/zinc/25/35/56/632253556.db2.gz IMYVHLFOJMTCJF-RDJZCZTQSA-N 1 3 277.456 3.167 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(C)cc1[O-] ZINC000817961129 632257348 /nfs/dbraw/zinc/25/73/48/632257348.db2.gz URYGUCIJEIFXNZ-VNQPRFMTSA-N 1 3 276.424 3.259 20 10 CGCDHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978109 632268736 /nfs/dbraw/zinc/26/87/36/632268736.db2.gz WETIXKIJQPTYIE-ILXRZTDVSA-N 1 3 275.440 3.063 20 10 CGCDHO C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817977415 632269122 /nfs/dbraw/zinc/26/91/22/632269122.db2.gz JXKAGNRYEMMINW-PMPSAXMXSA-N 1 3 289.467 3.453 20 10 CGCDHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979057 632270497 /nfs/dbraw/zinc/27/04/97/632270497.db2.gz HSLKRWKIWOBYQS-RDJZCZTQSA-N 1 3 289.467 3.455 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1[O-] ZINC000848557991 636605144 /nfs/dbraw/zinc/60/51/44/636605144.db2.gz MJURWZFGYACUGW-BZPMIXESSA-N 1 3 296.842 3.345 20 10 CGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(N)CCCC1 ZINC001118608954 802589353 /nfs/dbraw/zinc/58/93/53/802589353.db2.gz MUWDPUVRAOJBQY-OLZOCXBDSA-N 1 3 274.408 3.110 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@H]2CN)cc1 ZINC001204924830 812777813 /nfs/dbraw/zinc/77/78/13/812777813.db2.gz AVGOUCCFVOZFJE-IBGZPJMESA-N 1 3 297.446 3.407 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC[C@H]2CN)cc1 ZINC001204924830 812777820 /nfs/dbraw/zinc/77/78/20/812777820.db2.gz AVGOUCCFVOZFJE-IBGZPJMESA-N 1 3 297.446 3.407 20 10 CGCDHO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@H](N)C2)c(O)c1 ZINC001205938363 813140173 /nfs/dbraw/zinc/14/01/73/813140173.db2.gz GVQHEBMHFYJDHN-HNNXBMFYSA-N 1 3 276.424 3.003 20 10 CGCDHO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@H](N)C2)c(O)c1 ZINC001205938363 813140177 /nfs/dbraw/zinc/14/01/77/813140177.db2.gz GVQHEBMHFYJDHN-HNNXBMFYSA-N 1 3 276.424 3.003 20 10 CGCDHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(C)cc1O ZINC000280173514 522865687 /nfs/dbraw/zinc/86/56/87/522865687.db2.gz RGXNNRKTQPJAGA-GDBMZVCRSA-N 1 3 276.424 3.083 20 10 CGCDHO C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)c2c1c(F)ccc2[O-] ZINC000756501375 626710181 /nfs/dbraw/zinc/71/01/81/626710181.db2.gz CODGJEBLDDIQNE-DGCLKSJQSA-N 1 3 280.387 3.011 20 10 CGCDHO C[C@H]([NH3+])CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817953869 632249013 /nfs/dbraw/zinc/24/90/13/632249013.db2.gz VMVCBRKLYAPQJO-YJBOKZPZSA-N 1 3 298.430 3.393 20 10 CGCDHO C[C@@H](N[C@@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960388 632256384 /nfs/dbraw/zinc/25/63/84/632256384.db2.gz YNFFQTSUISPVLU-KDOFPFPSSA-N 1 3 289.467 3.311 20 10 CGCDHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817970586 632264280 /nfs/dbraw/zinc/26/42/80/632264280.db2.gz ALDRPJQIYRDMNE-HUUCEWRRSA-N 1 3 275.440 3.065 20 10 CGCDHO CC[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000844927345 635986686 /nfs/dbraw/zinc/98/66/86/635986686.db2.gz YUWCTZZWWACDDA-INIZCTEOSA-N 1 3 276.424 3.131 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(C)(C)[NH3+])c1[O-] ZINC000925737486 638589528 /nfs/dbraw/zinc/58/95/28/638589528.db2.gz JEFLJGRONMFLTB-SNVBAGLBSA-N 1 3 270.804 3.132 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c(O)c1 ZINC000858490787 638740284 /nfs/dbraw/zinc/74/02/84/638740284.db2.gz OKYUPWWGSXFCLD-HZPDHXFCSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1cc(Cl)cc(CN2CCC[C@](C)([NH3+])CC2)c1O ZINC001205288635 812931411 /nfs/dbraw/zinc/93/14/11/812931411.db2.gz MJMKQFHBJLFAFK-HNNXBMFYSA-N 1 3 282.815 3.057 20 10 CGCDHO CN(C)c1ccc(C[N@H+](C)CCCN2CCCCC2)cc1 ZINC001209452881 814047040 /nfs/dbraw/zinc/04/70/40/814047040.db2.gz UTXIDEXGFZDRIS-UHFFFAOYSA-N 1 3 289.467 3.060 20 10 CGCDHO CN(C)c1ccc(C[N@@H+](C)CCCN2CCCCC2)cc1 ZINC001209452881 814047042 /nfs/dbraw/zinc/04/70/42/814047042.db2.gz UTXIDEXGFZDRIS-UHFFFAOYSA-N 1 3 289.467 3.060 20 10 CGCDHO CC(C)c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001234997311 818971739 /nfs/dbraw/zinc/97/17/39/818971739.db2.gz ASXUSUVAGNJWKT-SFHVURJKSA-N 1 3 288.435 3.091 20 10 CGCDHO Cc1ccc(C)c(C[N@@H+](CC(C)C)[C@@H]2CCCNC2)c1O ZINC001236477739 819495366 /nfs/dbraw/zinc/49/53/66/819495366.db2.gz KYKHHLKUMFTEKP-MRXNPFEDSA-N 1 3 290.451 3.219 20 10 CGCDHO Cc1ccc(C)c(C[N@H+](CC(C)C)[C@@H]2CCCNC2)c1O ZINC001236477739 819495369 /nfs/dbraw/zinc/49/53/69/819495369.db2.gz KYKHHLKUMFTEKP-MRXNPFEDSA-N 1 3 290.451 3.219 20 10 CGCDHO CC(C)(C)c1cccc(CN2CCC[C@@](C)(C[NH3+])C2)c1O ZINC001237056078 819654937 /nfs/dbraw/zinc/65/49/37/819654937.db2.gz GBZLQJDQLGDZQX-SFHVURJKSA-N 1 3 290.451 3.251 20 10 CGCDHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC000295866331 372940716 /nfs/dbraw/zinc/94/07/16/372940716.db2.gz FUZOZNOMSOANAN-ZVRJUHEZSA-N 1 3 287.451 3.028 20 10 CGCDHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000295866331 372940725 /nfs/dbraw/zinc/94/07/25/372940725.db2.gz FUZOZNOMSOANAN-ZVRJUHEZSA-N 1 3 287.451 3.028 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[O-] ZINC000251250228 334358955 /nfs/dbraw/zinc/35/89/55/334358955.db2.gz MRQNQKGSIPYRBT-YCPHGPKFSA-N 1 3 274.408 3.060 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1[O-] ZINC000251250228 334358956 /nfs/dbraw/zinc/35/89/56/334358956.db2.gz MRQNQKGSIPYRBT-YCPHGPKFSA-N 1 3 274.408 3.060 20 10 CGCDHO CCCCN1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000037149907 520577649 /nfs/dbraw/zinc/57/76/49/520577649.db2.gz MYVAJXTXYXZFBG-UHFFFAOYSA-N 1 3 289.467 3.107 20 10 CGCDHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(C)cc1O ZINC000280173518 522615483 /nfs/dbraw/zinc/61/54/83/522615483.db2.gz RGXNNRKTQPJAGA-HOCLYGCPSA-N 1 3 276.424 3.083 20 10 CGCDHO Cc1ccc(O)c(CN(CCC[NH3+])Cc2ccccc2)c1 ZINC000230002663 623184633 /nfs/dbraw/zinc/18/46/33/623184633.db2.gz IBSHPBPJHAKQES-UHFFFAOYSA-N 1 3 284.403 3.052 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c(O)c1C ZINC000756423899 626705182 /nfs/dbraw/zinc/70/51/82/626705182.db2.gz QDAKDFHLIJQROV-CJNGLKHVSA-N 1 3 290.451 3.392 20 10 CGCDHO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H]1CCC[NH2+]C1 ZINC000817948076 632244569 /nfs/dbraw/zinc/24/45/69/632244569.db2.gz UIGRISDJUSJAIR-UHXUPSOCSA-N 1 3 292.398 3.057 20 10 CGCDHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817951701 632247362 /nfs/dbraw/zinc/24/73/62/632247362.db2.gz GDFIDDIMFJSGIG-KBPBESRZSA-N 1 3 293.430 3.204 20 10 CGCDHO CC[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817966556 632262015 /nfs/dbraw/zinc/26/20/15/632262015.db2.gz QAOFPMBILYQFIX-MSOLQXFVSA-N 1 3 289.467 3.183 20 10 CGCDHO [NH3+]CCC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000817983834 632273181 /nfs/dbraw/zinc/27/31/81/632273181.db2.gz RNBIOFSUASXUBQ-IRXDYDNUSA-N 1 3 296.414 3.449 20 10 CGCDHO Cc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2F)c(O)c1 ZINC000844923801 635986284 /nfs/dbraw/zinc/98/62/84/635986284.db2.gz KKSZBUCPCDRTHJ-LBPRGKRZSA-N 1 3 288.366 3.149 20 10 CGCDHO C[NH2+]C[C@H]1CCCN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205016802 812826702 /nfs/dbraw/zinc/82/67/02/812826702.db2.gz KPEAHDOYNWLFIY-CQSZACIVSA-N 1 3 290.451 3.121 20 10 CGCDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](N)C2)c2ccccc21 ZINC001205933024 813140342 /nfs/dbraw/zinc/14/03/42/813140342.db2.gz VVHYVDDGTYZLTL-MRXNPFEDSA-N 1 3 297.446 3.219 20 10 CGCDHO CN(C)c1ccc(C[N@H+]2CCCC[C@@H](N)C2)c2ccccc21 ZINC001205933024 813140344 /nfs/dbraw/zinc/14/03/44/813140344.db2.gz VVHYVDDGTYZLTL-MRXNPFEDSA-N 1 3 297.446 3.219 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c([O-])c1 ZINC001206326439 813289865 /nfs/dbraw/zinc/28/98/65/813289865.db2.gz NLDOIVUOSBZXQW-SFHVURJKSA-N 1 3 290.451 3.467 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c([O-])c1 ZINC001206326439 813289869 /nfs/dbraw/zinc/28/98/69/813289869.db2.gz NLDOIVUOSBZXQW-SFHVURJKSA-N 1 3 290.451 3.467 20 10 CGCDHO CCN(Cc1ccc(N(C)C)cc1)CC(C)(C)C[NH+](C)C ZINC001207289002 813535874 /nfs/dbraw/zinc/53/58/74/813535874.db2.gz XRYBKOUDOMYHTA-UHFFFAOYSA-N 1 3 291.483 3.162 20 10 CGCDHO CCN(CCC[NH+](C)C)Cc1cc(C(C)(C)C)ccc1O ZINC001233286857 818568690 /nfs/dbraw/zinc/56/86/90/818568690.db2.gz LWKSCOBCZDVVNG-UHFFFAOYSA-N 1 3 292.467 3.463 20 10 CGCDHO C[NH2+]CC1CC[NH+](Cc2ccc(C(C)(C)C)cc2[O-])CC1 ZINC001235680253 819139820 /nfs/dbraw/zinc/13/98/20/819139820.db2.gz SMAPJDJXBBAETJ-UHFFFAOYSA-N 1 3 290.451 3.121 20 10 CGCDHO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCCC[C@@H]1N ZINC001236217879 819384762 /nfs/dbraw/zinc/38/47/62/819384762.db2.gz QQSFYDILULPRSR-HOTGVXAUSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCCC[C@@H]1N ZINC001236217879 819384767 /nfs/dbraw/zinc/38/47/67/819384767.db2.gz QQSFYDILULPRSR-HOTGVXAUSA-N 1 3 290.451 3.391 20 10 CGCDHO CC[NH+]1CCC(CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297955585 276148729 /nfs/dbraw/zinc/14/87/29/276148729.db2.gz ZBEMZTKJUHJYFM-INIZCTEOSA-N 1 3 288.435 3.091 20 10 CGCDHO CC[NH+]1CCC(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000815576761 631798253 /nfs/dbraw/zinc/79/82/53/631798253.db2.gz XXFDKVGKDFGUBJ-OAHLLOKOSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1ccc([O-])c(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000873232860 634295534 /nfs/dbraw/zinc/29/55/34/634295534.db2.gz OPBZHVWBWPPRLY-QGZVFWFLSA-N 1 3 288.435 3.103 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c([O-])c1 ZINC000873260688 634308287 /nfs/dbraw/zinc/30/82/87/634308287.db2.gz FSRQZNCPVLYVJX-LVQVYYBASA-N 1 3 288.435 3.190 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c([O-])c1 ZINC000873272464 634314883 /nfs/dbraw/zinc/31/48/83/634314883.db2.gz TWEVGBKDYZQZAJ-UONOGXRCSA-N 1 3 276.424 3.048 20 10 CGCDHO CCc1cccc(C[N@H+](C)CC[C@@H]2CCCCN2C)c1O ZINC000848888601 636676021 /nfs/dbraw/zinc/67/60/21/636676021.db2.gz XLABKCCHPMIBLD-KRWDZBQOSA-N 1 3 290.451 3.261 20 10 CGCDHO CCc1cccc(C[N@@H+](C)CC[C@@H]2CCCCN2C)c1O ZINC000848888601 636676024 /nfs/dbraw/zinc/67/60/24/636676024.db2.gz XLABKCCHPMIBLD-KRWDZBQOSA-N 1 3 290.451 3.261 20 10 CGCDHO CCC[N@H+](C)C[C@H]1CCN(Cc2cccc(CC)c2O)C1 ZINC000848889370 636676443 /nfs/dbraw/zinc/67/64/43/636676443.db2.gz JBPCKSLRXOKLNF-OAHLLOKOSA-N 1 3 290.451 3.118 20 10 CGCDHO CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc(CC)c2O)C1 ZINC000848889370 636676446 /nfs/dbraw/zinc/67/64/46/636676446.db2.gz JBPCKSLRXOKLNF-OAHLLOKOSA-N 1 3 290.451 3.118 20 10 CGCDHO CCN(Cc1cccc(C(C)(C)C)c1O)C[C@@H]1CC[NH2+]C1 ZINC001236409416 819456103 /nfs/dbraw/zinc/45/61/03/819456103.db2.gz UQQJWZSVUZVMRJ-CQSZACIVSA-N 1 3 290.451 3.121 20 10 CGCDHO C[C@@H]1[C@@H](N)CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420484 819467377 /nfs/dbraw/zinc/46/73/77/819467377.db2.gz MTYHFOHBERDWCP-KDOFPFPSSA-N 1 3 297.446 3.217 20 10 CGCDHO C[C@@H]1[C@@H](N)CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420484 819467379 /nfs/dbraw/zinc/46/73/79/819467379.db2.gz MTYHFOHBERDWCP-KDOFPFPSSA-N 1 3 297.446 3.217 20 10 CGCDHO C[NH2+]C[C@H](C)CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC001325742116 934926584 /nfs/dbraw/zinc/92/65/84/934926584.db2.gz BOGZNVLPSMBUAH-JKSUJKDBSA-N 1 3 289.467 3.183 20 10 CGCDHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(C)cc1O ZINC000280173520 522632589 /nfs/dbraw/zinc/63/25/89/522632589.db2.gz RGXNNRKTQPJAGA-ZBFHGGJFSA-N 1 3 276.424 3.083 20 10 CGCDHO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(N2CCCCC2)cc1 ZINC000925740958 619213389 /nfs/dbraw/zinc/21/33/89/619213389.db2.gz LLHLILLJVGUUPE-OAHLLOKOSA-N 1 3 289.467 3.455 20 10 CGCDHO C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)cc1[O-] ZINC000841743819 620344223 /nfs/dbraw/zinc/34/42/23/620344223.db2.gz KIKXKPRVMMDKAL-NSHDSACASA-N 1 3 284.831 3.284 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c([O-])c1 ZINC000840810661 626207751 /nfs/dbraw/zinc/20/77/51/626207751.db2.gz VLSVRCNNSHOIBF-HOTGVXAUSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c([O-])c1 ZINC000840810661 626207754 /nfs/dbraw/zinc/20/77/54/626207754.db2.gz VLSVRCNNSHOIBF-HOTGVXAUSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c([O-])c1 ZINC000840810678 626207808 /nfs/dbraw/zinc/20/78/08/626207808.db2.gz VLSVRCNNSHOIBF-JKSUJKDBSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c([O-])c1 ZINC000840810678 626207811 /nfs/dbraw/zinc/20/78/11/626207811.db2.gz VLSVRCNNSHOIBF-JKSUJKDBSA-N 1 3 290.451 3.392 20 10 CGCDHO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817953690 632249479 /nfs/dbraw/zinc/24/94/79/632249479.db2.gz SVDHVFVCKZIXAJ-HOTGVXAUSA-N 1 3 289.467 3.455 20 10 CGCDHO C[C@H](N[C@@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960390 632256677 /nfs/dbraw/zinc/25/66/77/632256677.db2.gz YNFFQTSUISPVLU-KSSFIOAISA-N 1 3 289.467 3.311 20 10 CGCDHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000817965687 632260571 /nfs/dbraw/zinc/26/05/71/632260571.db2.gz ZEPLXDYLTGTAQJ-HNNXBMFYSA-N 1 3 287.451 3.209 20 10 CGCDHO CC[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000817985373 632274663 /nfs/dbraw/zinc/27/46/63/632274663.db2.gz JIZBPMMPCQPMQV-MRXNPFEDSA-N 1 3 274.408 3.051 20 10 CGCDHO Cc1cc(O)c(C[N@@H+]2CC[C@@](CN)(C(C)(C)C)C2)cc1C ZINC000873223804 634291554 /nfs/dbraw/zinc/29/15/54/634291554.db2.gz SMDBAJRMKVSZPX-SFHVURJKSA-N 1 3 290.451 3.206 20 10 CGCDHO Cc1cc(O)c(C[N@H+]2CC[C@@](CN)(C(C)(C)C)C2)cc1C ZINC000873223804 634291559 /nfs/dbraw/zinc/29/15/59/634291559.db2.gz SMDBAJRMKVSZPX-SFHVURJKSA-N 1 3 290.451 3.206 20 10 CGCDHO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490722 638741013 /nfs/dbraw/zinc/74/10/13/638741013.db2.gz MOJOMINCHYBOAR-HOTGVXAUSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490722 638741015 /nfs/dbraw/zinc/74/10/15/638741015.db2.gz MOJOMINCHYBOAR-HOTGVXAUSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000858490722 638741017 /nfs/dbraw/zinc/74/10/17/638741017.db2.gz MOJOMINCHYBOAR-HOTGVXAUSA-N 1 3 289.467 3.135 20 10 CGCDHO Cc1cc(C)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)c(O)c1 ZINC001255670975 806701521 /nfs/dbraw/zinc/70/15/21/806701521.db2.gz GCDGUACMVAQFNJ-MQVJKMGUSA-N 1 3 288.435 3.114 20 10 CGCDHO CC[C@@H]1CC(NCc2c(C)cc(C)cc2O)C[C@@H](CC)[NH2+]1 ZINC001246343667 804295538 /nfs/dbraw/zinc/29/55/38/804295538.db2.gz NSVKNIIHZQFIGG-HUUCEWRRSA-N 1 3 290.451 3.408 20 10 CGCDHO C[NH+]1CCC2(C[NH+](Cc3c([O-])ccc4ccccc43)C2)CC1 ZINC001231591161 818132163 /nfs/dbraw/zinc/13/21/63/818132163.db2.gz WMQHDDOOCJEDII-UHFFFAOYSA-N 1 3 296.414 3.073 20 10 CGCDHO Cc1cccc([O-])c1C[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001237489852 819764266 /nfs/dbraw/zinc/76/42/66/819764266.db2.gz LQVFQJNFNALKBO-UHFFFAOYSA-N 1 3 290.451 3.253 20 10 CGCDHO Cc1cccc([O-])c1C[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001237489852 819764273 /nfs/dbraw/zinc/76/42/73/819764273.db2.gz LQVFQJNFNALKBO-UHFFFAOYSA-N 1 3 290.451 3.253 20 10 CGCDHO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001461253839 937572126 /nfs/dbraw/zinc/57/21/26/937572126.db2.gz GTORQTCLJOHSLV-HOTGVXAUSA-N 1 3 299.462 3.449 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c([O-])c1 ZINC000168758739 372619709 /nfs/dbraw/zinc/61/97/09/372619709.db2.gz WPAHPEBCEUIIDD-AWEZNQCLSA-N 1 3 276.424 3.083 20 10 CGCDHO Cc1ccc(O)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683777 392239409 /nfs/dbraw/zinc/23/94/09/392239409.db2.gz HYVLISBYDRGIEY-INIZCTEOSA-N 1 3 288.435 3.008 20 10 CGCDHO CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(C)cc1[O-] ZINC000280036751 522571052 /nfs/dbraw/zinc/57/10/52/522571052.db2.gz INEKAEWTNQIGTA-INIZCTEOSA-N 1 3 290.451 3.473 20 10 CGCDHO CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(C)cc1[O-] ZINC000280080997 522576709 /nfs/dbraw/zinc/57/67/09/522576709.db2.gz LTMHOWAFISVUAO-KRWDZBQOSA-N 1 3 290.451 3.473 20 10 CGCDHO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000248488995 618167455 /nfs/dbraw/zinc/16/74/55/618167455.db2.gz HBAREIDQNYAISW-RRFJBIMHSA-N 1 3 276.424 3.224 20 10 CGCDHO C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccccc1[O-] ZINC000895685087 619872888 /nfs/dbraw/zinc/87/28/88/619872888.db2.gz JETVBVNBPJQMFO-UHFFFAOYSA-N 1 3 276.424 3.090 20 10 CGCDHO C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccccc1[O-] ZINC000895685087 619872890 /nfs/dbraw/zinc/87/28/90/619872890.db2.gz JETVBVNBPJQMFO-UHFFFAOYSA-N 1 3 276.424 3.090 20 10 CGCDHO Cc1cc(C)c([C@@H](C)NCCC[NH2+]C(C)C)c(O)c1 ZINC000817951882 625623684 /nfs/dbraw/zinc/62/36/84/625623684.db2.gz BHKPXOMFSIPCQJ-CQSZACIVSA-N 1 3 264.413 3.048 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c([O-])c1 ZINC000840808328 626179513 /nfs/dbraw/zinc/17/95/13/626179513.db2.gz BEXRVSDOTIQAGC-CABCVRRESA-N 1 3 276.424 3.083 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c([O-])c1 ZINC000840808328 626179516 /nfs/dbraw/zinc/17/95/16/626179516.db2.gz BEXRVSDOTIQAGC-CABCVRRESA-N 1 3 276.424 3.083 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000766166432 627300904 /nfs/dbraw/zinc/30/09/04/627300904.db2.gz QWMTWXOTPBQQRH-YQQAZPJKSA-N 1 3 289.467 3.276 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000766166432 627300906 /nfs/dbraw/zinc/30/09/06/627300906.db2.gz QWMTWXOTPBQQRH-YQQAZPJKSA-N 1 3 289.467 3.276 20 10 CGCDHO C[C@@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817955092 632250709 /nfs/dbraw/zinc/25/07/09/632250709.db2.gz QCWVPTPARIIKHV-KDOFPFPSSA-N 1 3 283.419 3.103 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c([O-])c1 ZINC000817976491 632267655 /nfs/dbraw/zinc/26/76/55/632267655.db2.gz ZZHLKTNRVKMYMZ-JYJNAYRXSA-N 1 3 290.451 3.425 20 10 CGCDHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979002 632270217 /nfs/dbraw/zinc/27/02/17/632270217.db2.gz GIRAGFHXEPQERB-HIFRSBDPSA-N 1 3 293.430 3.204 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000817982471 632272600 /nfs/dbraw/zinc/27/26/00/632272600.db2.gz SSJZSOJYHUWEEV-KDOFPFPSSA-N 1 3 289.467 3.311 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877142205 635000260 /nfs/dbraw/zinc/00/02/60/635000260.db2.gz LHDYUCJUJISZMI-HNNXBMFYSA-N 1 3 278.440 3.301 20 10 CGCDHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2c1c(F)ccc2[O-] ZINC000848557921 636605979 /nfs/dbraw/zinc/60/59/79/636605979.db2.gz LSWAPVKIMPWWLR-NRWUCQMLSA-N 1 3 292.398 3.009 20 10 CGCDHO CCC1([NH3+])CCN([C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000925761290 638600962 /nfs/dbraw/zinc/60/09/62/638600962.db2.gz YTMZQTOVWXGNLE-WCQYABFASA-N 1 3 292.398 3.283 20 10 CGCDHO CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246920627 804600912 /nfs/dbraw/zinc/60/09/12/804600912.db2.gz JFMRFDFYNZMTBU-QGZVFWFLSA-N 1 3 289.467 3.105 20 10 CGCDHO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCNC(C)(C)C1 ZINC001246920627 804600914 /nfs/dbraw/zinc/60/09/14/804600914.db2.gz JFMRFDFYNZMTBU-QGZVFWFLSA-N 1 3 289.467 3.105 20 10 CGCDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCNC(C)(C)C1 ZINC001246920627 804600917 /nfs/dbraw/zinc/60/09/17/804600917.db2.gz JFMRFDFYNZMTBU-QGZVFWFLSA-N 1 3 289.467 3.105 20 10 CGCDHO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c3ccccc23)CCN1 ZINC001210475795 814479431 /nfs/dbraw/zinc/47/94/31/814479431.db2.gz OVQHRZRJPHCDED-OAHLLOKOSA-N 1 3 297.446 3.090 20 10 CGCDHO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CCN1 ZINC001210475795 814479433 /nfs/dbraw/zinc/47/94/33/814479433.db2.gz OVQHRZRJPHCDED-OAHLLOKOSA-N 1 3 297.446 3.090 20 10 CGCDHO C[N@@H+](Cc1ccc(C(C)(C)C)cc1[O-])CC1CC[NH2+]CC1 ZINC001235433291 819095596 /nfs/dbraw/zinc/09/55/96/819095596.db2.gz SBJLIVWPNBZTCS-UHFFFAOYSA-N 1 3 290.451 3.121 20 10 CGCDHO C[N@H+](Cc1ccc(C(C)(C)C)cc1[O-])CC1CC[NH2+]CC1 ZINC001235433291 819095604 /nfs/dbraw/zinc/09/56/04/819095604.db2.gz SBJLIVWPNBZTCS-UHFFFAOYSA-N 1 3 290.451 3.121 20 10 CGCDHO CCN(CC)c1ccc(CN2CCC[C@@](C)(C[NH3+])C2)cc1 ZINC001237055298 819654440 /nfs/dbraw/zinc/65/44/40/819654440.db2.gz CHSPYMZQLJUPMF-SFHVURJKSA-N 1 3 289.467 3.094 20 10 CGCDHO CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000044517602 618614903 /nfs/dbraw/zinc/61/49/03/618614903.db2.gz LUSCTXIDLAXAOK-CQSZACIVSA-N 1 3 276.424 3.083 20 10 CGCDHO CCC1(N2CCC2)CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000895827916 619889955 /nfs/dbraw/zinc/88/99/55/619889955.db2.gz OYBKZOBXPOTLGZ-UHFFFAOYSA-N 1 3 288.435 3.151 20 10 CGCDHO C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000768872774 627505317 /nfs/dbraw/zinc/50/53/17/627505317.db2.gz IOPDJWGBUPOSRC-UHFFFAOYSA-N 1 3 284.403 3.086 20 10 CGCDHO C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000768872774 627505321 /nfs/dbraw/zinc/50/53/21/627505321.db2.gz IOPDJWGBUPOSRC-UHFFFAOYSA-N 1 3 284.403 3.086 20 10 CGCDHO CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccc(C)cc1[O-] ZINC000817949454 632245669 /nfs/dbraw/zinc/24/56/69/632245669.db2.gz QZJLQANWVITTFT-SFHVURJKSA-N 1 3 298.430 3.443 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CN)c1ccc(N(C)C)cc1 ZINC000817960776 632256721 /nfs/dbraw/zinc/25/67/21/632256721.db2.gz RKJARVQSRJYBFO-SZMVWBNQSA-N 1 3 289.467 3.311 20 10 CGCDHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc(N2CCCCCC2)cc1 ZINC000817960231 632256770 /nfs/dbraw/zinc/25/67/70/632256770.db2.gz KTCHWSOERQHJMD-OAHLLOKOSA-N 1 3 289.467 3.455 20 10 CGCDHO Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000817974502 632266473 /nfs/dbraw/zinc/26/64/73/632266473.db2.gz BEEMHBKPOGEZOJ-KKUMJFAQSA-N 1 3 276.424 3.116 20 10 CGCDHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979056 632270085 /nfs/dbraw/zinc/27/00/85/632270085.db2.gz HSLKRWKIWOBYQS-NVXWUHKLSA-N 1 3 289.467 3.455 20 10 CGCDHO Cc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC000876756238 634893006 /nfs/dbraw/zinc/89/30/06/634893006.db2.gz PJSNSZHHRMMZQJ-KRWDZBQOSA-N 1 3 288.435 3.151 20 10 CGCDHO CCC(N)(CC)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000841031373 635109236 /nfs/dbraw/zinc/10/92/36/635109236.db2.gz RWOBYHSIMWZOIZ-UHFFFAOYSA-N 1 3 289.467 3.284 20 10 CGCDHO C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000844923785 635985817 /nfs/dbraw/zinc/98/58/17/635985817.db2.gz KCIXEXOOLLLQRD-AWEZNQCLSA-N 1 3 284.403 3.271 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1[O-] ZINC000848557993 636605988 /nfs/dbraw/zinc/60/59/88/636605988.db2.gz MJURWZFGYACUGW-SGMGOOAPSA-N 1 3 296.842 3.345 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c(O)c1 ZINC000858490786 638741221 /nfs/dbraw/zinc/74/12/21/638741221.db2.gz OKYUPWWGSXFCLD-HOTGVXAUSA-N 1 3 290.451 3.392 20 10 CGCDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000161039146 799078048 /nfs/dbraw/zinc/07/80/48/799078048.db2.gz REKWXJJEGQCISP-LESCRADOSA-N 1 3 289.467 3.276 20 10 CGCDHO CC[NH+]1CCC(N(C)Cc2c3ccccc3n(C)c2C)CC1 ZINC001138257022 803882146 /nfs/dbraw/zinc/88/21/46/803882146.db2.gz SIJSZKLHOWSFSY-UHFFFAOYSA-N 1 3 299.462 3.403 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c([O-])c1 ZINC001206639530 813382102 /nfs/dbraw/zinc/38/21/02/813382102.db2.gz DNSBRKNCWICDQK-CQSZACIVSA-N 1 3 276.424 3.076 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)c([O-])c1 ZINC001206639530 813382110 /nfs/dbraw/zinc/38/21/10/813382110.db2.gz DNSBRKNCWICDQK-CQSZACIVSA-N 1 3 276.424 3.076 20 10 CGCDHO C[NH+](C)CC1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236839322 819617206 /nfs/dbraw/zinc/61/72/06/819617206.db2.gz FOTNKNIWAUIMPM-UHFFFAOYSA-N 1 3 298.430 3.319 20 10 CGCDHO [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237400786 819743117 /nfs/dbraw/zinc/74/31/17/819743117.db2.gz AFDNQDDHIOYIEQ-QAPCUYQASA-N 1 3 296.414 3.119 20 10 CGCDHO [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237400786 819743119 /nfs/dbraw/zinc/74/31/19/819743119.db2.gz AFDNQDDHIOYIEQ-QAPCUYQASA-N 1 3 296.414 3.119 20 10 CGCDHO C[NH2+]C[C@@H](C)CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC001325742113 934926458 /nfs/dbraw/zinc/92/64/58/934926458.db2.gz BOGZNVLPSMBUAH-CVEARBPZSA-N 1 3 289.467 3.183 20 10 CGCDHO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](N)CCC(C)(C)C)c1 ZINC001579230743 962614971 /nfs/dbraw/zinc/61/49/71/962614971.db2.gz YUGMBKUWUGVRJD-CHWSQXEVSA-N 1 3 294.439 3.205 20 10 CGCDHO Cc1cccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000180363007 373995161 /nfs/dbraw/zinc/99/51/61/373995161.db2.gz LXELRMHYXYVNIL-QGZVFWFLSA-N 1 3 288.435 3.151 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)N[C@H](C)CC[NH+](C)C)cc1 ZINC000269033511 378176838 /nfs/dbraw/zinc/17/68/38/378176838.db2.gz SFAJEQIKNFQKQN-HUUCEWRRSA-N 1 3 277.456 3.134 20 10 CGCDHO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CN2CCCCC2)c1 ZINC000038041961 174044632 /nfs/dbraw/zinc/04/46/32/174044632.db2.gz LCROUCVOKHZZNF-CVEARBPZSA-N 1 3 290.451 3.473 20 10 CGCDHO CCN(CC)c1ccc(CNC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000022935918 276120792 /nfs/dbraw/zinc/12/07/92/276120792.db2.gz GYVRINJUSAZLKL-SFHVURJKSA-N 1 3 289.467 3.107 20 10 CGCDHO CCN(CC)c1ccc(CNC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000022935918 276120794 /nfs/dbraw/zinc/12/07/94/276120794.db2.gz GYVRINJUSAZLKL-SFHVURJKSA-N 1 3 289.467 3.107 20 10 CGCDHO C[C@H](CN[C@@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCCC1 ZINC000062078586 619281843 /nfs/dbraw/zinc/28/18/43/619281843.db2.gz MQZIDPJPULDGMO-CVEARBPZSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@H]([NH3+])c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000904351333 621911321 /nfs/dbraw/zinc/91/13/21/621911321.db2.gz XYZZHWWMRYEVDV-AWEZNQCLSA-N 1 3 296.414 3.321 20 10 CGCDHO CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(C)cc1[O-] ZINC000794805112 629579004 /nfs/dbraw/zinc/57/90/04/629579004.db2.gz FUQBKBZEFKNIEK-QGZVFWFLSA-N 1 3 290.451 3.473 20 10 CGCDHO C[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817955094 632250267 /nfs/dbraw/zinc/25/02/67/632250267.db2.gz QCWVPTPARIIKHV-RDTXWAMCSA-N 1 3 283.419 3.103 20 10 CGCDHO CC[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C)cc1[O-] ZINC000873261837 634309027 /nfs/dbraw/zinc/30/90/27/634309027.db2.gz SGHIAVCCOFHFLS-JYYAWHABSA-N 1 3 288.435 3.272 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000844902865 635981058 /nfs/dbraw/zinc/98/10/58/635981058.db2.gz VCGYXRKQJQGHBT-KDOFPFPSSA-N 1 3 289.467 3.010 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000844902865 635981064 /nfs/dbraw/zinc/98/10/64/635981064.db2.gz VCGYXRKQJQGHBT-KDOFPFPSSA-N 1 3 289.467 3.010 20 10 CGCDHO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556128 637120032 /nfs/dbraw/zinc/12/00/32/637120032.db2.gz QYNAHGLWWTZJCE-NVXWUHKLSA-N 1 3 289.467 3.278 20 10 CGCDHO CCC[N@H+]1CC[C@@H](N[C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556128 637120035 /nfs/dbraw/zinc/12/00/35/637120035.db2.gz QYNAHGLWWTZJCE-NVXWUHKLSA-N 1 3 289.467 3.278 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001167838214 807258630 /nfs/dbraw/zinc/25/86/30/807258630.db2.gz RSTACYNNWWBJMB-OAHLLOKOSA-N 1 3 278.440 3.335 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001167838214 807258641 /nfs/dbraw/zinc/25/86/41/807258641.db2.gz RSTACYNNWWBJMB-OAHLLOKOSA-N 1 3 278.440 3.335 20 10 CGCDHO Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c(O)c1 ZINC001172113286 808179858 /nfs/dbraw/zinc/17/98/58/808179858.db2.gz GCDGUACMVAQFNJ-PHZGNYQRSA-N 1 3 288.435 3.114 20 10 CGCDHO Cc1ccc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1[O-] ZINC001206591783 813367042 /nfs/dbraw/zinc/36/70/42/813367042.db2.gz VXKFOIUWMRXVLR-MRXNPFEDSA-N 1 3 290.451 3.362 20 10 CGCDHO Cc1ccc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c1[O-] ZINC001206591783 813367050 /nfs/dbraw/zinc/36/70/50/813367050.db2.gz VXKFOIUWMRXVLR-MRXNPFEDSA-N 1 3 290.451 3.362 20 10 CGCDHO [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237400784 819743138 /nfs/dbraw/zinc/74/31/38/819743138.db2.gz AFDNQDDHIOYIEQ-CRAIPNDOSA-N 1 3 296.414 3.119 20 10 CGCDHO [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237400784 819743140 /nfs/dbraw/zinc/74/31/40/819743140.db2.gz AFDNQDDHIOYIEQ-CRAIPNDOSA-N 1 3 296.414 3.119 20 10 CGCDHO Cc1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)c([O-])c1 ZINC001579696731 962652825 /nfs/dbraw/zinc/65/28/25/962652825.db2.gz BUZTYSYVXMKMCV-QGZVFWFLSA-N 1 3 288.435 3.103 20 10 CGCDHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273438486 378746148 /nfs/dbraw/zinc/74/61/48/378746148.db2.gz XTQARVHRMCBSEP-CVEARBPZSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1cc([O-])c(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1C ZINC000092381079 327193421 /nfs/dbraw/zinc/19/34/21/327193421.db2.gz NLFHYVUFWBKINE-UHFFFAOYSA-N 1 3 290.451 3.173 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c([O-])c1 ZINC000840808336 626180202 /nfs/dbraw/zinc/18/02/02/626180202.db2.gz BEXRVSDOTIQAGC-LSDHHAIUSA-N 1 3 276.424 3.083 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c([O-])c1 ZINC000840808336 626180203 /nfs/dbraw/zinc/18/02/03/626180203.db2.gz BEXRVSDOTIQAGC-LSDHHAIUSA-N 1 3 276.424 3.083 20 10 CGCDHO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H]1CCC[NH2+]C1 ZINC000817948073 632244323 /nfs/dbraw/zinc/24/43/23/632244323.db2.gz UIGRISDJUSJAIR-BYNQJWBRSA-N 1 3 292.398 3.057 20 10 CGCDHO C[C@H]([NH3+])CC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817953867 632248757 /nfs/dbraw/zinc/24/87/57/632248757.db2.gz VMVCBRKLYAPQJO-MAUKXSAKSA-N 1 3 298.430 3.393 20 10 CGCDHO CC[C@H](NCCC[NH2+]C(C)C)c1ccc(N(C)C)cc1 ZINC000817954252 632249047 /nfs/dbraw/zinc/24/90/47/632249047.db2.gz WMQLXQYEUHKTJZ-KRWDZBQOSA-N 1 3 277.456 3.181 20 10 CGCDHO CC[C@H](N[C@@H](C[NH3+])CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958181 632253725 /nfs/dbraw/zinc/25/37/25/632253725.db2.gz IMYVHLFOJMTCJF-WBVHZDCISA-N 1 3 277.456 3.167 20 10 CGCDHO C[C@H](NCC[C@H]1CCC[NH2+]1)c1cc2c(cc1O)CCCC2 ZINC000817968018 632261197 /nfs/dbraw/zinc/26/11/97/632261197.db2.gz GARLNMWZYUGKDM-XJKSGUPXSA-N 1 3 288.435 3.064 20 10 CGCDHO CC[NH+](CC)C1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC001173104260 808510921 /nfs/dbraw/zinc/51/09/21/808510921.db2.gz FVYHLLZJCZRMFB-UHFFFAOYSA-N 1 3 276.424 3.135 20 10 CGCDHO C[NH2+]C[C@@H]1CCCN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001205016800 812825929 /nfs/dbraw/zinc/82/59/29/812825929.db2.gz KPEAHDOYNWLFIY-AWEZNQCLSA-N 1 3 290.451 3.121 20 10 CGCDHO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001461253843 937572098 /nfs/dbraw/zinc/57/20/98/937572098.db2.gz GTORQTCLJOHSLV-HZPDHXFCSA-N 1 3 299.462 3.449 20 10 CGCDHO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000185358019 374646310 /nfs/dbraw/zinc/64/63/10/374646310.db2.gz WHBODUXBWUDHCV-HZPDHXFCSA-N 1 3 290.451 3.472 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000271825593 378508050 /nfs/dbraw/zinc/50/80/50/378508050.db2.gz CZUDHKBMJIEGRK-OAHLLOKOSA-N 1 3 287.451 3.055 20 10 CGCDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273382965 378744201 /nfs/dbraw/zinc/74/42/01/378744201.db2.gz ITVBVAHDJMTAPA-GJZGRUSLSA-N 1 3 276.424 3.001 20 10 CGCDHO C[C@@H]([NH2+]CC1(N)CCCCC1)c1ccc(N(C)C)cc1 ZINC000817936048 632237120 /nfs/dbraw/zinc/23/71/20/632237120.db2.gz MNXGAYXCVWSWTG-CQSZACIVSA-N 1 3 275.440 3.065 20 10 CGCDHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(N2CCCCCC2)cc1 ZINC000817953692 632248736 /nfs/dbraw/zinc/24/87/36/632248736.db2.gz SVDHVFVCKZIXAJ-JKSUJKDBSA-N 1 3 289.467 3.455 20 10 CGCDHO C[C@H](C[NH3+])C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817962709 632257302 /nfs/dbraw/zinc/25/73/02/632257302.db2.gz NLOIEFNYMNHSOV-QAPCUYQASA-N 1 3 298.430 3.251 20 10 CGCDHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817962716 632257755 /nfs/dbraw/zinc/25/77/55/632257755.db2.gz NNUGLADORCASEO-UONOGXRCSA-N 1 3 293.430 3.061 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])c1[O-] ZINC000817977323 632268465 /nfs/dbraw/zinc/26/84/65/632268465.db2.gz HSYIXKOMECGUPJ-WDEREUQCSA-N 1 3 270.804 3.132 20 10 CGCDHO CC[C@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000873268805 634311880 /nfs/dbraw/zinc/31/18/80/634311880.db2.gz HJFZNFPPFOZCJB-CJNGLKHVSA-N 1 3 276.424 3.129 20 10 CGCDHO CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(C)cc1[O-] ZINC000843343713 635651155 /nfs/dbraw/zinc/65/11/55/635651155.db2.gz FXDGYENJZIKPNH-QGZVFWFLSA-N 1 3 284.403 3.400 20 10 CGCDHO C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000844923519 635985004 /nfs/dbraw/zinc/98/50/04/635985004.db2.gz IQGBZDBJUZOZSN-GFCCVEGCSA-N 1 3 288.366 3.102 20 10 CGCDHO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490724 638741531 /nfs/dbraw/zinc/74/15/31/638741531.db2.gz MOJOMINCHYBOAR-JKSUJKDBSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000858490724 638741533 /nfs/dbraw/zinc/74/15/33/638741533.db2.gz MOJOMINCHYBOAR-JKSUJKDBSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000858490724 638741534 /nfs/dbraw/zinc/74/15/34/638741534.db2.gz MOJOMINCHYBOAR-JKSUJKDBSA-N 1 3 289.467 3.135 20 10 CGCDHO CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1[O-] ZINC000715585150 800140429 /nfs/dbraw/zinc/14/04/29/800140429.db2.gz SBKMAMWGAYDXBJ-ZBCRRDGASA-N 1 3 276.424 3.306 20 10 CGCDHO CC(C)c1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)c(O)c1 ZINC001222153797 816360933 /nfs/dbraw/zinc/36/09/33/816360933.db2.gz ACFGWCRPXWWDFM-GOSISDBHSA-N 1 3 288.435 3.091 20 10 CGCDHO Cc1cc(CN2CC[C@](C)(C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001236604228 819550524 /nfs/dbraw/zinc/55/05/24/819550524.db2.gz JTTJGIGFZALESN-LJQANCHMSA-N 1 3 297.446 3.265 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c([O-])c1 ZINC000840808333 626179883 /nfs/dbraw/zinc/17/98/83/626179883.db2.gz BEXRVSDOTIQAGC-HUUCEWRRSA-N 1 3 276.424 3.083 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c([O-])c1 ZINC000840808333 626179885 /nfs/dbraw/zinc/17/98/85/626179885.db2.gz BEXRVSDOTIQAGC-HUUCEWRRSA-N 1 3 276.424 3.083 20 10 CGCDHO CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(C)cc1[O-] ZINC000794805109 629579531 /nfs/dbraw/zinc/57/95/31/629579531.db2.gz FUQBKBZEFKNIEK-KRWDZBQOSA-N 1 3 290.451 3.473 20 10 CGCDHO Cc1cc(Cl)cc(C[NH2+]C2CCC([NH+](C)C)CC2)c1[O-] ZINC000817416110 632146218 /nfs/dbraw/zinc/14/62/18/632146218.db2.gz JJGIXTTXBZDIBJ-UHFFFAOYSA-N 1 3 296.842 3.316 20 10 CGCDHO C[NH2+]CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817940862 632240865 /nfs/dbraw/zinc/24/08/65/632240865.db2.gz OKXUHVKDIRGSJH-GOSISDBHSA-N 1 3 298.430 3.265 20 10 CGCDHO C[C@H](N[C@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960386 632255759 /nfs/dbraw/zinc/25/57/59/632255759.db2.gz YNFFQTSUISPVLU-KBXCAEBGSA-N 1 3 289.467 3.311 20 10 CGCDHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(N2CCCCCC2)cc1 ZINC000817970587 632265104 /nfs/dbraw/zinc/26/51/04/632265104.db2.gz ALDRPJQIYRDMNE-LSDHHAIUSA-N 1 3 275.440 3.065 20 10 CGCDHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978111 632269094 /nfs/dbraw/zinc/26/90/94/632269094.db2.gz WETIXKIJQPTYIE-KKUMJFAQSA-N 1 3 275.440 3.063 20 10 CGCDHO C[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817976999 632269229 /nfs/dbraw/zinc/26/92/29/632269229.db2.gz YVKANSHGNGEWKJ-WZRBSPASSA-N 1 3 280.387 3.187 20 10 CGCDHO C[C@H](NCCC[NH2+]C1CC1)c1cc2c(cc1O)CCCC2 ZINC000817983856 632272708 /nfs/dbraw/zinc/27/27/08/632272708.db2.gz KACZUOMPRQNJNQ-ZDUSSCGKSA-N 1 3 288.435 3.064 20 10 CGCDHO CCC[NH+]1CCC(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834566366 634184252 /nfs/dbraw/zinc/18/42/52/634184252.db2.gz LDPMYIWREZYQLE-INIZCTEOSA-N 1 3 288.435 3.091 20 10 CGCDHO CC[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccccc1[O-] ZINC000873235018 634295698 /nfs/dbraw/zinc/29/56/98/634295698.db2.gz JWZDZPXIHOHLIC-FUHWJXTLSA-N 1 3 298.430 3.393 20 10 CGCDHO CC[C@@H](c1ccc(N(C)C)cc1)N1CCC([NH3+])(CC)CC1 ZINC000925757269 638599403 /nfs/dbraw/zinc/59/94/03/638599403.db2.gz SRXVNGXZRYJKME-KRWDZBQOSA-N 1 3 289.467 3.407 20 10 CGCDHO Cc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c([O-])c1 ZINC001276168196 808990593 /nfs/dbraw/zinc/99/05/93/808990593.db2.gz CKZBOKUJQFLMNW-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c([O-])c1 ZINC001276168196 808990598 /nfs/dbraw/zinc/99/05/98/808990598.db2.gz CKZBOKUJQFLMNW-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205093755 812859128 /nfs/dbraw/zinc/85/91/28/812859128.db2.gz FUCIILRMTNBRBA-GOSISDBHSA-N 1 3 297.446 3.407 20 10 CGCDHO Cc1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)c([O-])c1 ZINC001462532842 937648473 /nfs/dbraw/zinc/64/84/73/937648473.db2.gz JOIJCIYIIKPZCX-UHFFFAOYSA-N 1 3 290.451 3.399 20 10 CGCDHO Cc1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c([O-])c1 ZINC001462532842 937648476 /nfs/dbraw/zinc/64/84/76/937648476.db2.gz JOIJCIYIIKPZCX-UHFFFAOYSA-N 1 3 290.451 3.399 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000269033505 378177000 /nfs/dbraw/zinc/17/70/00/378177000.db2.gz SFAJEQIKNFQKQN-GJZGRUSLSA-N 1 3 277.456 3.134 20 10 CGCDHO CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185351238 625349835 /nfs/dbraw/zinc/34/98/35/625349835.db2.gz XIYUWAQEQJGYBS-OAHLLOKOSA-N 1 3 290.451 3.473 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c([O-])c1 ZINC000840810664 626207620 /nfs/dbraw/zinc/20/76/20/626207620.db2.gz VLSVRCNNSHOIBF-HZPDHXFCSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c([O-])c1 ZINC000840810664 626207623 /nfs/dbraw/zinc/20/76/23/626207623.db2.gz VLSVRCNNSHOIBF-HZPDHXFCSA-N 1 3 290.451 3.392 20 10 CGCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469567 627556088 /nfs/dbraw/zinc/55/60/88/627556088.db2.gz AEVNMMGIVDYEKF-MAUKXSAKSA-N 1 3 289.467 3.057 20 10 CGCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469567 627556090 /nfs/dbraw/zinc/55/60/90/627556090.db2.gz AEVNMMGIVDYEKF-MAUKXSAKSA-N 1 3 289.467 3.057 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1[O-] ZINC000817954071 632249604 /nfs/dbraw/zinc/24/96/04/632249604.db2.gz BDYQJDJRTSMTKT-VXGBXAGGSA-N 1 3 282.815 3.004 20 10 CGCDHO CCN(C)c1ccc([C@H](C)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000817955266 632250530 /nfs/dbraw/zinc/25/05/30/632250530.db2.gz UPBGNZNBKMDMJA-KXBFYZLASA-N 1 3 297.446 3.493 20 10 CGCDHO C[C@H]([NH2+]CC(C)(C)N)c1ccc(N2CCCCCC2)cc1 ZINC000817960230 632256165 /nfs/dbraw/zinc/25/61/65/632256165.db2.gz KTCHWSOERQHJMD-HNNXBMFYSA-N 1 3 289.467 3.455 20 10 CGCDHO CC[C@H](N)C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817979058 632269839 /nfs/dbraw/zinc/26/98/39/632269839.db2.gz HSLKRWKIWOBYQS-WBVHZDCISA-N 1 3 289.467 3.455 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c([O-])c1 ZINC000873238965 634297153 /nfs/dbraw/zinc/29/71/53/634297153.db2.gz KNSBKSCFQXTLOV-KKUMJFAQSA-N 1 3 276.424 3.177 20 10 CGCDHO CC[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000873268806 634311686 /nfs/dbraw/zinc/31/16/86/634311686.db2.gz HJFZNFPPFOZCJB-CZUORRHYSA-N 1 3 276.424 3.129 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c([O-])c1 ZINC000873272463 634314860 /nfs/dbraw/zinc/31/48/60/634314860.db2.gz TWEVGBKDYZQZAJ-KBPBESRZSA-N 1 3 276.424 3.048 20 10 CGCDHO Cc1cccc(O)c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000876756434 634893031 /nfs/dbraw/zinc/89/30/31/634893031.db2.gz RSQQFFNQPWCJON-INIZCTEOSA-N 1 3 288.435 3.151 20 10 CGCDHO [NH3+]CCC[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000841087207 635119827 /nfs/dbraw/zinc/11/98/27/635119827.db2.gz PSDTYHICEKGEBP-INIZCTEOSA-N 1 3 288.366 3.101 20 10 CGCDHO CCCN(CCC)c1ccc(CN2CC[C@H](C[NH3+])C2)cc1 ZINC000843048835 635550374 /nfs/dbraw/zinc/55/03/74/635550374.db2.gz ZQSRJMLMANXCHD-QGZVFWFLSA-N 1 3 289.467 3.094 20 10 CGCDHO Cc1ccc([O-])c(C[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000843122906 635560768 /nfs/dbraw/zinc/56/07/68/635560768.db2.gz FZGACXUEJWDMKB-UHFFFAOYSA-N 1 3 276.424 3.042 20 10 CGCDHO Cc1ccc([O-])c(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000843122906 635560776 /nfs/dbraw/zinc/56/07/76/635560776.db2.gz FZGACXUEJWDMKB-UHFFFAOYSA-N 1 3 276.424 3.042 20 10 CGCDHO C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000844923786 635986014 /nfs/dbraw/zinc/98/60/14/635986014.db2.gz KCIXEXOOLLLQRD-CQSZACIVSA-N 1 3 284.403 3.271 20 10 CGCDHO CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000248546936 640768372 /nfs/dbraw/zinc/76/83/72/640768372.db2.gz FYPMGBAXIDCJPU-GDBMZVCRSA-N 1 3 276.424 3.165 20 10 CGCDHO CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000248546936 640768377 /nfs/dbraw/zinc/76/83/77/640768377.db2.gz FYPMGBAXIDCJPU-GDBMZVCRSA-N 1 3 276.424 3.165 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c([O-])c1 ZINC000715581366 800139666 /nfs/dbraw/zinc/13/96/66/800139666.db2.gz CIOCVIFKPZAMMP-NFOMZHRRSA-N 1 3 276.424 3.224 20 10 CGCDHO CCN(CC)c1ccc(C[N@H+](CC)C2CCNCC2)cc1 ZINC001235759849 819161665 /nfs/dbraw/zinc/16/16/65/819161665.db2.gz CDDUIELUJORTQF-UHFFFAOYSA-N 1 3 289.467 3.107 20 10 CGCDHO CCN(CC)c1ccc(C[N@@H+](CC)C2CCNCC2)cc1 ZINC001235759849 819161670 /nfs/dbraw/zinc/16/16/70/819161670.db2.gz CDDUIELUJORTQF-UHFFFAOYSA-N 1 3 289.467 3.107 20 10 CGCDHO CCN(CC)c1ccc(CN(CC)C2CC[NH2+]CC2)cc1 ZINC001235759849 819161673 /nfs/dbraw/zinc/16/16/73/819161673.db2.gz CDDUIELUJORTQF-UHFFFAOYSA-N 1 3 289.467 3.107 20 10 CGCDHO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2N)cc1 ZINC001236210474 819371847 /nfs/dbraw/zinc/37/18/47/819371847.db2.gz COSCRFBILVXSII-MSOLQXFVSA-N 1 3 289.467 3.235 20 10 CGCDHO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2N)cc1 ZINC001236210474 819371856 /nfs/dbraw/zinc/37/18/56/819371856.db2.gz COSCRFBILVXSII-MSOLQXFVSA-N 1 3 289.467 3.235 20 10 CGCDHO CCN(Cc1ccc(C(C)(C)C)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001236410703 819458029 /nfs/dbraw/zinc/45/80/29/819458029.db2.gz JJASADMWJJUMGB-CQSZACIVSA-N 1 3 290.451 3.121 20 10 CGCDHO [NH3+]CCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC001325756508 934927602 /nfs/dbraw/zinc/92/76/02/934927602.db2.gz WIQOSSMHMDIIIK-SFHVURJKSA-N 1 3 298.430 3.395 20 10 CGCDHO C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157463 935191070 /nfs/dbraw/zinc/19/10/70/935191070.db2.gz WZFQLPDIHVJSAT-ZBFHGGJFSA-N 1 3 289.467 3.276 20 10 CGCDHO C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157463 935191073 /nfs/dbraw/zinc/19/10/73/935191073.db2.gz WZFQLPDIHVJSAT-ZBFHGGJFSA-N 1 3 289.467 3.276 20 10 CGCDHO C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157461 935191427 /nfs/dbraw/zinc/19/14/27/935191427.db2.gz WZFQLPDIHVJSAT-HOCLYGCPSA-N 1 3 289.467 3.276 20 10 CGCDHO C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157461 935191428 /nfs/dbraw/zinc/19/14/28/935191428.db2.gz WZFQLPDIHVJSAT-HOCLYGCPSA-N 1 3 289.467 3.276 20 10 CGCDHO Cc1ccc(CN(CCC[NH3+])Cc2ccccc2)c(O)c1 ZINC001579691023 962655521 /nfs/dbraw/zinc/65/55/21/962655521.db2.gz ICIGZMNAROJSDS-UHFFFAOYSA-N 1 3 284.403 3.052 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000071406053 520637473 /nfs/dbraw/zinc/63/74/73/520637473.db2.gz FTZXSWMVFQKIQA-HNNXBMFYSA-N 1 3 278.440 3.301 20 10 CGCDHO C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)cc1[O-] ZINC000841743818 620344317 /nfs/dbraw/zinc/34/43/17/620344317.db2.gz KIKXKPRVMMDKAL-LLVKDONJSA-N 1 3 284.831 3.284 20 10 CGCDHO Cc1ccc([C@H](C)NCCC[NH2+]C(C)C)c(O)c1C ZINC000817952920 632248043 /nfs/dbraw/zinc/24/80/43/632248043.db2.gz IXHOPEQISHUXQK-AWEZNQCLSA-N 1 3 264.413 3.048 20 10 CGCDHO CC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1ccc(C)cc1[O-] ZINC000817977006 632268555 /nfs/dbraw/zinc/26/85/55/632268555.db2.gz YYOGWYDIKJZUNV-UKRRQHHQSA-N 1 3 264.413 3.259 20 10 CGCDHO CC[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C)cc1[O-] ZINC000817981869 632271296 /nfs/dbraw/zinc/27/12/96/632271296.db2.gz WAWDCLRHBXRQAC-GOEBONIOSA-N 1 3 276.424 3.274 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000877698255 635150356 /nfs/dbraw/zinc/15/03/56/635150356.db2.gz WEHBKSVXNUHEMY-UHFFFAOYSA-N 1 3 290.451 3.301 20 10 CGCDHO CC[C@H]1CN(Cc2ccc(N(CC)CC)cc2)CC[C@H]1[NH3+] ZINC000843053407 635551470 /nfs/dbraw/zinc/55/14/70/635551470.db2.gz LQPAAAMTJDSILW-FUHWJXTLSA-N 1 3 289.467 3.092 20 10 CGCDHO Cc1cccc(CN(CCC[NH3+])Cc2ccccc2)c1O ZINC000843108702 635560322 /nfs/dbraw/zinc/56/03/22/635560322.db2.gz PTCFPSQLXHMEJZ-UHFFFAOYSA-N 1 3 284.403 3.052 20 10 CGCDHO NC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000849349863 636817426 /nfs/dbraw/zinc/81/74/26/636817426.db2.gz MBRNUDPHBWGNDO-UHFFFAOYSA-N 1 3 287.451 3.038 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000247017391 640706995 /nfs/dbraw/zinc/70/69/95/640706995.db2.gz LNUIWBKHZZEBIQ-HZPDHXFCSA-N 1 3 289.467 3.135 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000247017391 640707001 /nfs/dbraw/zinc/70/70/01/640707001.db2.gz LNUIWBKHZZEBIQ-HZPDHXFCSA-N 1 3 289.467 3.135 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)NC[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000247017391 640707005 /nfs/dbraw/zinc/70/70/05/640707005.db2.gz LNUIWBKHZZEBIQ-HZPDHXFCSA-N 1 3 289.467 3.135 20 10 CGCDHO CCCCN1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000037319117 798866509 /nfs/dbraw/zinc/86/65/09/798866509.db2.gz RYNUDCOWRINHQP-UHFFFAOYSA-N 1 3 290.451 3.358 20 10 CGCDHO CCCOc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1C ZINC001202587864 812128827 /nfs/dbraw/zinc/12/88/27/812128827.db2.gz SXNAKOKLJYOWFX-CQSZACIVSA-N 1 3 278.440 3.071 20 10 CGCDHO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(C(C)(C)C)cc1O ZINC001205082709 812853932 /nfs/dbraw/zinc/85/39/32/812853932.db2.gz ILCRGCCGNKGKRP-WFASDCNBSA-N 1 3 276.424 3.001 20 10 CGCDHO Cc1c(C[N@H+](C)[C@H]2CCCC[C@@H]2N)c2ccccc2n1C ZINC001236214183 819375245 /nfs/dbraw/zinc/37/52/45/819375245.db2.gz COFMSAWJWMMJKP-WMZOPIPTSA-N 1 3 285.435 3.188 20 10 CGCDHO Cc1c(C[N@@H+](C)[C@H]2CCCC[C@@H]2N)c2ccccc2n1C ZINC001236214183 819375249 /nfs/dbraw/zinc/37/52/49/819375249.db2.gz COFMSAWJWMMJKP-WMZOPIPTSA-N 1 3 285.435 3.188 20 10 CGCDHO CC(C)(C)c1ccc(O)c(CN2CCC[C@@](C)(C[NH3+])C2)c1 ZINC001237080733 819662015 /nfs/dbraw/zinc/66/20/15/819662015.db2.gz IIONAYZAEULOLN-SFHVURJKSA-N 1 3 290.451 3.251 20 10 CGCDHO C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157460 935191207 /nfs/dbraw/zinc/19/12/07/935191207.db2.gz WZFQLPDIHVJSAT-GOEBONIOSA-N 1 3 289.467 3.276 20 10 CGCDHO C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001329157460 935191209 /nfs/dbraw/zinc/19/12/09/935191209.db2.gz WZFQLPDIHVJSAT-GOEBONIOSA-N 1 3 289.467 3.276 20 10 CGCDHO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](N)CCC(C)(C)C)c1 ZINC001579230746 962620642 /nfs/dbraw/zinc/62/06/42/962620642.db2.gz YUGMBKUWUGVRJD-STQMWFEESA-N 1 3 294.439 3.205 20 10 CGCDHO CCN(CC)c1ccc(CNC2CC[NH+](CC)CC2)cc1 ZINC000037976726 369130018 /nfs/dbraw/zinc/13/00/18/369130018.db2.gz HWCOGJIGWCSLMQ-UHFFFAOYSA-N 1 3 289.467 3.107 20 10 CGCDHO CC[NH+](CC)CCCN[C@@H](C)c1cc(C)ccc1O ZINC000035628663 260030840 /nfs/dbraw/zinc/03/08/40/260030840.db2.gz ZUHIRRMIYRYOMN-AWEZNQCLSA-N 1 3 264.413 3.083 20 10 CGCDHO CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccccc1[O-] ZINC000839182921 626327055 /nfs/dbraw/zinc/32/70/55/626327055.db2.gz RTXWYXSZOYBTMU-HOCLYGCPSA-N 1 3 276.424 3.165 20 10 CGCDHO CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[O-] ZINC000839182921 626327059 /nfs/dbraw/zinc/32/70/59/626327059.db2.gz RTXWYXSZOYBTMU-HOCLYGCPSA-N 1 3 276.424 3.165 20 10 CGCDHO CC[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817966557 632261428 /nfs/dbraw/zinc/26/14/28/632261428.db2.gz QAOFPMBILYQFIX-QZTJIDSGSA-N 1 3 289.467 3.183 20 10 CGCDHO [NH3+]CCC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000817983835 632272453 /nfs/dbraw/zinc/27/24/53/632272453.db2.gz RNBIOFSUASXUBQ-SJORKVTESA-N 1 3 296.414 3.449 20 10 CGCDHO Cc1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(O)c1 ZINC000876769937 634896546 /nfs/dbraw/zinc/89/65/46/634896546.db2.gz DKHNZJCOQDXEKY-MRXNPFEDSA-N 1 3 288.435 3.008 20 10 CGCDHO CCN(CC)c1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000841034987 635111143 /nfs/dbraw/zinc/11/11/43/635111143.db2.gz YHVWHVMKVJCBJE-NVXWUHKLSA-N 1 3 289.467 3.011 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000844902866 635981304 /nfs/dbraw/zinc/98/13/04/635981304.db2.gz VCGYXRKQJQGHBT-KSSFIOAISA-N 1 3 289.467 3.010 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000844902866 635981306 /nfs/dbraw/zinc/98/13/06/635981306.db2.gz VCGYXRKQJQGHBT-KSSFIOAISA-N 1 3 289.467 3.010 20 10 CGCDHO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556125 637120369 /nfs/dbraw/zinc/12/03/69/637120369.db2.gz QYNAHGLWWTZJCE-DOTOQJQBSA-N 1 3 289.467 3.278 20 10 CGCDHO CCC[N@H+]1CC[C@@H](N[C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000850556125 637120374 /nfs/dbraw/zinc/12/03/74/637120374.db2.gz QYNAHGLWWTZJCE-DOTOQJQBSA-N 1 3 289.467 3.278 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1[O-] ZINC000854230026 638028544 /nfs/dbraw/zinc/02/85/44/638028544.db2.gz DUQWTHRAIHHPEV-BXUZGUMPSA-N 1 3 284.831 3.378 20 10 CGCDHO CCC1([NH3+])CCN([C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000925761289 638600813 /nfs/dbraw/zinc/60/08/13/638600813.db2.gz YTMZQTOVWXGNLE-DGCLKSJQSA-N 1 3 292.398 3.283 20 10 CGCDHO Cc1ccc(C)c(C[NH+]2CCC(N(C)C3CC3)CC2)c1O ZINC001140184415 804399267 /nfs/dbraw/zinc/39/92/67/804399267.db2.gz SMKJTILBVBTZSU-UHFFFAOYSA-N 1 3 288.435 3.068 20 10 CGCDHO CN(C)c1ccc(CN(C)CCC[NH+](C)C)c2ccccc21 ZINC001204232980 812579974 /nfs/dbraw/zinc/57/99/74/812579974.db2.gz MLTOXPLVWMWYOY-UHFFFAOYSA-N 1 3 299.462 3.289 20 10 CGCDHO Cc1cc(C)c(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c([O-])c1 ZINC001206599345 813370661 /nfs/dbraw/zinc/37/06/61/813370661.db2.gz ROCMSWHIRTZVIR-MRXNPFEDSA-N 1 3 290.451 3.362 20 10 CGCDHO Cc1cc(C)c(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]CC2)c([O-])c1 ZINC001206599345 813370669 /nfs/dbraw/zinc/37/06/69/813370669.db2.gz ROCMSWHIRTZVIR-MRXNPFEDSA-N 1 3 290.451 3.362 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3[NH3+])cc1 ZINC001235254721 819052189 /nfs/dbraw/zinc/05/21/89/819052189.db2.gz KUBHIGBZNIUMDZ-WDSOQIARSA-N 1 3 295.430 3.016 20 10 CGCDHO CCN(CC)c1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000090721004 260261800 /nfs/dbraw/zinc/26/18/00/260261800.db2.gz GPWNXEVIKDWOPK-WBVHZDCISA-N 1 3 289.467 3.105 20 10 CGCDHO CCN(CC)c1ccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000090721004 260261801 /nfs/dbraw/zinc/26/18/01/260261801.db2.gz GPWNXEVIKDWOPK-WBVHZDCISA-N 1 3 289.467 3.105 20 10 CGCDHO CC[C@@H](NCCC[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000178413131 619180144 /nfs/dbraw/zinc/18/01/44/619180144.db2.gz YTTGVEHBJXSQFQ-GOSISDBHSA-N 1 3 289.467 3.279 20 10 CGCDHO CC[C@@H]([NH2+]CCCN1CCCC1)c1ccc(N(C)C)cc1 ZINC000178413131 619180146 /nfs/dbraw/zinc/18/01/46/619180146.db2.gz YTTGVEHBJXSQFQ-GOSISDBHSA-N 1 3 289.467 3.279 20 10 CGCDHO CN(CCC[NH+](C)C)Cc1cc(-c2ccccc2)ccc1O ZINC000809729980 630795044 /nfs/dbraw/zinc/79/50/44/630795044.db2.gz VRZZFPLBFNCWOX-UHFFFAOYSA-N 1 3 298.430 3.443 20 10 CGCDHO C[C@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817955093 632250138 /nfs/dbraw/zinc/25/01/38/632250138.db2.gz QCWVPTPARIIKHV-KSSFIOAISA-N 1 3 283.419 3.103 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(C)cc1[O-] ZINC000817961117 632257690 /nfs/dbraw/zinc/25/76/90/632257690.db2.gz URYGUCIJEIFXNZ-BPUTZDHNSA-N 1 3 276.424 3.259 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(C)cc1[O-] ZINC000817969359 632262609 /nfs/dbraw/zinc/26/26/09/632262609.db2.gz CHUXFUXJLJGFFM-IPYPFGDCSA-N 1 3 262.397 3.011 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)c1[O-] ZINC000817987483 632275930 /nfs/dbraw/zinc/27/59/30/632275930.db2.gz ZRHZTJKZWHLSSF-GFCCVEGCSA-N 1 3 294.826 3.314 20 10 CGCDHO Cc1ccc(O)c([C@@H](C)NCCC[N@@H+](C)CC(C)C)c1 ZINC000846179221 636154535 /nfs/dbraw/zinc/15/45/35/636154535.db2.gz YZBCHVBVBHWTGB-OAHLLOKOSA-N 1 3 278.440 3.329 20 10 CGCDHO Cc1ccc(O)c([C@@H](C)NCCC[N@H+](C)CC(C)C)c1 ZINC000846179221 636154537 /nfs/dbraw/zinc/15/45/37/636154537.db2.gz YZBCHVBVBHWTGB-OAHLLOKOSA-N 1 3 278.440 3.329 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)c([O-])c1 ZINC000834909282 634284363 /nfs/dbraw/zinc/28/43/63/634284363.db2.gz QJICTKIKALJFLZ-AWEZNQCLSA-N 1 3 276.424 3.226 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+](C)C2CC2)c([O-])c1 ZINC000834909282 634284370 /nfs/dbraw/zinc/28/43/70/634284370.db2.gz QJICTKIKALJFLZ-AWEZNQCLSA-N 1 3 276.424 3.226 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)c([O-])c1 ZINC000873234777 634295706 /nfs/dbraw/zinc/29/57/06/634295706.db2.gz HVHLVFWKDJNTGJ-DOTOQJQBSA-N 1 3 298.430 3.311 20 10 CGCDHO Cc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)c([O-])c1 ZINC000877551590 635085468 /nfs/dbraw/zinc/08/54/68/635085468.db2.gz GVVRIZUZXJSGNZ-UHFFFAOYSA-N 1 3 276.424 3.056 20 10 CGCDHO C[NH2+]Cc1ccccc1CNCc1ccc(OC)c(C)c1 ZINC000844904472 635980912 /nfs/dbraw/zinc/98/09/12/635980912.db2.gz NAZZOVXXYNRXKQ-UHFFFAOYSA-N 1 3 284.403 3.013 20 10 CGCDHO C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccccc1[O-] ZINC000850584605 637133198 /nfs/dbraw/zinc/13/31/98/637133198.db2.gz SRVVBRUQVLUMMU-AWEZNQCLSA-N 1 3 288.435 3.165 20 10 CGCDHO CCCCC[N@H+](C)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139253169 804170033 /nfs/dbraw/zinc/17/00/33/804170033.db2.gz OKDYZZOLIYLSFT-UHFFFAOYSA-N 1 3 294.439 3.084 20 10 CGCDHO CCCCC[N@@H+](C)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139253169 804170034 /nfs/dbraw/zinc/17/00/34/804170034.db2.gz OKDYZZOLIYLSFT-UHFFFAOYSA-N 1 3 294.439 3.084 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001167838213 807258682 /nfs/dbraw/zinc/25/86/82/807258682.db2.gz RSTACYNNWWBJMB-HNNXBMFYSA-N 1 3 278.440 3.335 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001167838213 807258686 /nfs/dbraw/zinc/25/86/86/807258686.db2.gz RSTACYNNWWBJMB-HNNXBMFYSA-N 1 3 278.440 3.335 20 10 CGCDHO CC(C)(C)c1cccc(C[N@@H+]2CCCC[C@H]2CN)c1O ZINC001204925425 812778463 /nfs/dbraw/zinc/77/84/63/812778463.db2.gz SIEZGFXOCVVWAZ-AWEZNQCLSA-N 1 3 276.424 3.003 20 10 CGCDHO CC(C)(C)c1cccc(C[N@H+]2CCCC[C@H]2CN)c1O ZINC001204925425 812778469 /nfs/dbraw/zinc/77/84/69/812778469.db2.gz SIEZGFXOCVVWAZ-AWEZNQCLSA-N 1 3 276.424 3.003 20 10 CGCDHO Cc1c(C[N@@H+]2CCCC[C@H](CN)C2)c2ccccc2n1C ZINC001206616819 813375826 /nfs/dbraw/zinc/37/58/26/813375826.db2.gz QTDSTRRRPRMVOA-OAHLLOKOSA-N 1 3 285.435 3.048 20 10 CGCDHO Cc1c(C[N@H+]2CCCC[C@H](CN)C2)c2ccccc2n1C ZINC001206616819 813375832 /nfs/dbraw/zinc/37/58/32/813375832.db2.gz QTDSTRRRPRMVOA-OAHLLOKOSA-N 1 3 285.435 3.048 20 10 CGCDHO C[NH2+]C1CCC([N@H+](C)Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001236216021 819380506 /nfs/dbraw/zinc/38/05/06/819380506.db2.gz VSFVXJZVZRRFLE-UHFFFAOYSA-N 1 3 296.842 3.316 20 10 CGCDHO C[NH2+]C1CCC([N@@H+](C)Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC001236216021 819380513 /nfs/dbraw/zinc/38/05/13/819380513.db2.gz VSFVXJZVZRRFLE-UHFFFAOYSA-N 1 3 296.842 3.316 20 10 CGCDHO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCCC[C@@H]1N ZINC001236217885 819383912 /nfs/dbraw/zinc/38/39/12/819383912.db2.gz QQSFYDILULPRSR-JKSUJKDBSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCCC[C@@H]1N ZINC001236217885 819383917 /nfs/dbraw/zinc/38/39/17/819383917.db2.gz QQSFYDILULPRSR-JKSUJKDBSA-N 1 3 290.451 3.391 20 10 CGCDHO CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccccc1[O-] ZINC000278340314 522821692 /nfs/dbraw/zinc/82/16/92/522821692.db2.gz CKQWQNWKPPWVTK-QGZVFWFLSA-N 1 3 288.435 3.307 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CN)c1ccc(N(C)C)cc1 ZINC000817960771 632256747 /nfs/dbraw/zinc/25/67/47/632256747.db2.gz RKJARVQSRJYBFO-BPQIPLTHSA-N 1 3 289.467 3.311 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c([O-])c1 ZINC000817965180 632260094 /nfs/dbraw/zinc/26/00/94/632260094.db2.gz QSGKKAKYBXRHLH-CQSZACIVSA-N 1 3 276.424 3.049 20 10 CGCDHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000817977414 632268830 /nfs/dbraw/zinc/26/88/30/632268830.db2.gz JXKAGNRYEMMINW-OAGGEKHMSA-N 1 3 289.467 3.453 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(C)cc1[O-] ZINC000817987529 632275610 /nfs/dbraw/zinc/27/56/10/632275610.db2.gz UBTWHQVRSPYDET-DLTWYDFYSA-N 1 3 288.435 3.129 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c([O-])c1 ZINC000873269770 634313026 /nfs/dbraw/zinc/31/30/26/634313026.db2.gz TWEVGBKDYZQZAJ-KGLIPLIRSA-N 1 3 276.424 3.048 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000876933164 634931413 /nfs/dbraw/zinc/93/14/13/634931413.db2.gz HJQJQGILKSTJII-INIZCTEOSA-N 1 3 290.451 3.445 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000876933164 634931415 /nfs/dbraw/zinc/93/14/15/634931415.db2.gz HJQJQGILKSTJII-INIZCTEOSA-N 1 3 290.451 3.445 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000877551885 635085531 /nfs/dbraw/zinc/08/55/31/635085531.db2.gz MSTQPEKRRJYDBJ-UHFFFAOYSA-N 1 3 276.424 3.056 20 10 CGCDHO [NH3+][C@H]1CCC[C@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000841054967 635115336 /nfs/dbraw/zinc/11/53/36/635115336.db2.gz IXNIGQVCOBSFMY-IRXDYDNUSA-N 1 3 287.451 3.036 20 10 CGCDHO Cc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC000877697214 635148490 /nfs/dbraw/zinc/14/84/90/635148490.db2.gz IKNZTHKHZNSOQO-UHFFFAOYSA-N 1 3 290.451 3.301 20 10 CGCDHO CC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)CC[C@@H]1[NH3+] ZINC000843053406 635551893 /nfs/dbraw/zinc/55/18/93/635551893.db2.gz LQPAAAMTJDSILW-AEFFLSMTSA-N 1 3 289.467 3.092 20 10 CGCDHO CCc1cccc(C[N@@H+]2CCCC23CCN(C)CC3)c1O ZINC000848904832 636683411 /nfs/dbraw/zinc/68/34/11/636683411.db2.gz BSXWBVAFPHFJQD-UHFFFAOYSA-N 1 3 288.435 3.015 20 10 CGCDHO CCc1cccc(C[N@H+]2CCCC23CCN(C)CC3)c1O ZINC000848904832 636683417 /nfs/dbraw/zinc/68/34/17/636683417.db2.gz BSXWBVAFPHFJQD-UHFFFAOYSA-N 1 3 288.435 3.015 20 10 CGCDHO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1[O-] ZINC001205651910 813042482 /nfs/dbraw/zinc/04/24/82/813042482.db2.gz LPWTXCRSQWCKDV-DGCLKSJQSA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)c1[O-] ZINC001205651910 813042492 /nfs/dbraw/zinc/04/24/92/813042492.db2.gz LPWTXCRSQWCKDV-DGCLKSJQSA-N 1 3 296.842 3.161 20 10 CGCDHO C[N@H+](CCC1CC[NH2+]CC1)Cc1cc2ccccc2cc1[O-] ZINC001235717075 819150758 /nfs/dbraw/zinc/15/07/58/819150758.db2.gz CNLVVVMTLGXVGB-UHFFFAOYSA-N 1 3 298.430 3.367 20 10 CGCDHO C[N@@H+](CCC1CC[NH2+]CC1)Cc1cc2ccccc2cc1[O-] ZINC001235717075 819150763 /nfs/dbraw/zinc/15/07/63/819150763.db2.gz CNLVVVMTLGXVGB-UHFFFAOYSA-N 1 3 298.430 3.367 20 10 CGCDHO C[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CCCC[C@H]1N ZINC001236220299 819385452 /nfs/dbraw/zinc/38/54/52/819385452.db2.gz YXABMLBQQXPMJR-HZPDHXFCSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CCCC[C@H]1N ZINC001236220299 819385456 /nfs/dbraw/zinc/38/54/56/819385456.db2.gz YXABMLBQQXPMJR-HZPDHXFCSA-N 1 3 290.451 3.391 20 10 CGCDHO Nc1ccc(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236377188 819442719 /nfs/dbraw/zinc/44/27/19/819442719.db2.gz XVGGOXOWNAIPGD-INIZCTEOSA-N 1 3 287.451 3.013 20 10 CGCDHO Nc1ccc(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)cc1 ZINC001236377188 819442725 /nfs/dbraw/zinc/44/27/25/819442725.db2.gz XVGGOXOWNAIPGD-INIZCTEOSA-N 1 3 287.451 3.013 20 10 CGCDHO C[C@@H](CC[NH+](C)C)NCc1ccc(N2CCCCC2)cc1 ZINC000049553581 369409078 /nfs/dbraw/zinc/40/90/78/369409078.db2.gz GWJKKVQXPPFBHT-INIZCTEOSA-N 1 3 289.467 3.107 20 10 CGCDHO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(F)ccc1[O-] ZINC000293602254 372423054 /nfs/dbraw/zinc/42/30/54/372423054.db2.gz DNBKIHULKZFJMJ-CQSZACIVSA-N 1 3 294.414 3.448 20 10 CGCDHO C[C@@H](CN[C@@H](C)c1ccc(N(C)C)cc1)C[NH+]1CCCC1 ZINC000062078583 619281977 /nfs/dbraw/zinc/28/19/77/619281977.db2.gz MQZIDPJPULDGMO-HOTGVXAUSA-N 1 3 289.467 3.135 20 10 CGCDHO C[C@@H](CC[NH2+]Cc1ccc(N2CCCCC2)cc1)N(C)C ZINC000895300362 619799828 /nfs/dbraw/zinc/79/98/28/619799828.db2.gz UYUJINZLHPYFDT-INIZCTEOSA-N 1 3 289.467 3.107 20 10 CGCDHO CC[NH+](CC)CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000778995822 628382211 /nfs/dbraw/zinc/38/22/11/628382211.db2.gz JTKMAUMXBNPLDR-UHFFFAOYSA-N 1 3 294.414 3.085 20 10 CGCDHO CCCC[C@H](C[NH3+])N[C@H](CC)c1ccc(N(C)C)cc1 ZINC000817962524 632257821 /nfs/dbraw/zinc/25/78/21/632257821.db2.gz JNWNHIIRVRYFCZ-NVXWUHKLSA-N 1 3 277.456 3.311 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c([O-])c1 ZINC000817976265 632267500 /nfs/dbraw/zinc/26/75/00/632267500.db2.gz WROIEHJDBIGERO-KKUMJFAQSA-N 1 3 276.424 3.116 20 10 CGCDHO CC[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(C)cc1[O-] ZINC000817981870 632271244 /nfs/dbraw/zinc/27/12/44/632271244.db2.gz WAWDCLRHBXRQAC-HOCLYGCPSA-N 1 3 276.424 3.274 20 10 CGCDHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000818431446 632317945 /nfs/dbraw/zinc/31/79/45/632317945.db2.gz MWVNSIWSEHEKNK-QZTJIDSGSA-N 1 3 287.451 3.036 20 10 CGCDHO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2N)cc1F ZINC000818431462 632318383 /nfs/dbraw/zinc/31/83/83/632318383.db2.gz NJEMQTQJPASMJS-HZPDHXFCSA-N 1 3 293.430 3.031 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c([O-])c1 ZINC000873269771 634312424 /nfs/dbraw/zinc/31/24/24/634312424.db2.gz TWEVGBKDYZQZAJ-ZIAGYGMSSA-N 1 3 276.424 3.048 20 10 CGCDHO CCN(CC)c1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000841034983 635110027 /nfs/dbraw/zinc/11/00/27/635110027.db2.gz YHVWHVMKVJCBJE-DOTOQJQBSA-N 1 3 289.467 3.011 20 10 CGCDHO Cc1cc(C)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c([O-])c1 ZINC001206599344 813370712 /nfs/dbraw/zinc/37/07/12/813370712.db2.gz ROCMSWHIRTZVIR-INIZCTEOSA-N 1 3 290.451 3.362 20 10 CGCDHO Cc1cc(C)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c([O-])c1 ZINC001206599344 813370716 /nfs/dbraw/zinc/37/07/16/813370716.db2.gz ROCMSWHIRTZVIR-INIZCTEOSA-N 1 3 290.451 3.362 20 10 CGCDHO Cc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235152243 819017714 /nfs/dbraw/zinc/01/77/14/819017714.db2.gz GCQRMUVEGYBWEX-KRWDZBQOSA-N 1 3 288.435 3.055 20 10 CGCDHO Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC001235152243 819017723 /nfs/dbraw/zinc/01/77/23/819017723.db2.gz GCQRMUVEGYBWEX-KRWDZBQOSA-N 1 3 288.435 3.055 20 10 CGCDHO Cc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235231005 819041602 /nfs/dbraw/zinc/04/16/02/819041602.db2.gz XTAFYVHBVQVFTF-KRWDZBQOSA-N 1 3 288.435 3.055 20 10 CGCDHO Cc1ccc(O)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683776 392238925 /nfs/dbraw/zinc/23/89/25/392238925.db2.gz HYVLISBYDRGIEY-MRXNPFEDSA-N 1 3 288.435 3.008 20 10 CGCDHO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccc1[O-] ZINC000293804330 525433151 /nfs/dbraw/zinc/43/31/51/525433151.db2.gz VGIKEXIVBTYXCS-OAHLLOKOSA-N 1 3 276.424 3.309 20 10 CGCDHO CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(C)cc1[O-] ZINC000794812073 629580036 /nfs/dbraw/zinc/58/00/36/629580036.db2.gz ZPVXWAUODWPZHR-INIZCTEOSA-N 1 3 276.424 3.083 20 10 CGCDHO CC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1 ZINC000817939076 632239594 /nfs/dbraw/zinc/23/95/94/632239594.db2.gz YOWMRPXBESSHDX-MOPGFXCFSA-N 1 3 297.446 3.493 20 10 CGCDHO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000817963598 632258640 /nfs/dbraw/zinc/25/86/40/632258640.db2.gz UXIQITFMJUOAMS-STQMWFEESA-N 1 3 270.376 3.263 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(C)cc1[O-] ZINC000817969361 632262562 /nfs/dbraw/zinc/26/25/62/632262562.db2.gz CHUXFUXJLJGFFM-YDHLFZDLSA-N 1 3 262.397 3.011 20 10 CGCDHO CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1[O-] ZINC000817976435 632267467 /nfs/dbraw/zinc/26/74/67/632267467.db2.gz XWFWAIDVGJHCRZ-DZKIICNBSA-N 1 3 276.424 3.198 20 10 CGCDHO CC[C@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982688 632272641 /nfs/dbraw/zinc/27/26/41/632272641.db2.gz VLYRMILYHXIJIJ-ROUUACIJSA-N 1 3 289.467 3.311 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)c(O)c1C ZINC000817986293 632274953 /nfs/dbraw/zinc/27/49/53/632274953.db2.gz PMSBVQKWFDPYRD-CABCVRRESA-N 1 3 288.435 3.334 20 10 CGCDHO COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1C ZINC000841030150 635109532 /nfs/dbraw/zinc/10/95/32/635109532.db2.gz TYJDHTOISBLHKM-CQSZACIVSA-N 1 3 284.403 3.313 20 10 CGCDHO C[C@H]1C[C@@H]([NH2+]CCCCCC[NH3+])c2c1c(F)ccc2[O-] ZINC000843341123 635648568 /nfs/dbraw/zinc/64/85/68/635648568.db2.gz GXFDMEKYAOPQGE-WCQYABFASA-N 1 3 280.387 3.188 20 10 CGCDHO CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(C)cc1[O-] ZINC000843343712 635651408 /nfs/dbraw/zinc/65/14/08/635651408.db2.gz FXDGYENJZIKPNH-KRWDZBQOSA-N 1 3 284.403 3.400 20 10 CGCDHO Cc1ccc(O)c([C@H](C)NCc2ccc(C[NH3+])cc2F)c1 ZINC000844923747 635985884 /nfs/dbraw/zinc/98/58/84/635985884.db2.gz JTCIXXNLLBKBLG-LBPRGKRZSA-N 1 3 288.366 3.149 20 10 CGCDHO CCC[N@H+](C)C[C@@H]1CCN(Cc2cccc(CC)c2O)C1 ZINC000848889368 636676941 /nfs/dbraw/zinc/67/69/41/636676941.db2.gz JBPCKSLRXOKLNF-HNNXBMFYSA-N 1 3 290.451 3.118 20 10 CGCDHO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(CC)c2O)C1 ZINC000848889368 636676944 /nfs/dbraw/zinc/67/69/44/636676944.db2.gz JBPCKSLRXOKLNF-HNNXBMFYSA-N 1 3 290.451 3.118 20 10 CGCDHO CC(C)[C@H]([NH3+])CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000854230563 638028934 /nfs/dbraw/zinc/02/89/34/638028934.db2.gz UPRQUMWKLAXMEF-RTXFEEFZSA-N 1 3 280.387 3.043 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1[O-] ZINC000854230027 638029199 /nfs/dbraw/zinc/02/91/99/638029199.db2.gz DUQWTHRAIHHPEV-SMDDNHRTSA-N 1 3 284.831 3.378 20 10 CGCDHO CN(Cc1cccc(C(C)(C)C)c1O)C[C@H]1CCC[NH2+]C1 ZINC001235958204 819245876 /nfs/dbraw/zinc/24/58/76/819245876.db2.gz YRPGBQLKMNTREN-AWEZNQCLSA-N 1 3 290.451 3.121 20 10 CGCDHO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000185357999 374647207 /nfs/dbraw/zinc/64/72/07/374647207.db2.gz WHBODUXBWUDHCV-HOTGVXAUSA-N 1 3 290.451 3.472 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]CCCC[NH+](C)C)c([O-])c1 ZINC000284240504 380136362 /nfs/dbraw/zinc/13/63/62/380136362.db2.gz UZZFHSUBYNGXJB-AWEZNQCLSA-N 1 3 264.413 3.001 20 10 CGCDHO Cc1ccc([O-])c([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000230671992 333320582 /nfs/dbraw/zinc/32/05/82/333320582.db2.gz WBDRFAIHAUXOFS-AWEZNQCLSA-N 1 3 276.424 3.083 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c([O-])c1 ZINC000230672024 333320650 /nfs/dbraw/zinc/32/06/50/333320650.db2.gz MGXXBPPMCNCUMF-AWEZNQCLSA-N 1 3 276.424 3.083 20 10 CGCDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902430 632233161 /nfs/dbraw/zinc/23/31/61/632233161.db2.gz QLVPWCLFTWQYLK-HOTGVXAUSA-N 1 3 289.467 3.138 20 10 CGCDHO C[NH2+]CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817940864 632240294 /nfs/dbraw/zinc/24/02/94/632240294.db2.gz OKXUHVKDIRGSJH-SFHVURJKSA-N 1 3 298.430 3.265 20 10 CGCDHO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@@H]1CCC[NH2+]C1 ZINC000817948074 632244530 /nfs/dbraw/zinc/24/45/30/632244530.db2.gz UIGRISDJUSJAIR-CZXHOFHRSA-N 1 3 292.398 3.057 20 10 CGCDHO CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979001 632270462 /nfs/dbraw/zinc/27/04/62/632270462.db2.gz GIRAGFHXEPQERB-DZGCQCFKSA-N 1 3 293.430 3.204 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([O-])c1 ZINC000817986359 632273899 /nfs/dbraw/zinc/27/38/99/632273899.db2.gz LGPXKZACKBPGEH-XUWVNRHRSA-N 1 3 288.435 3.048 20 10 CGCDHO CC[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1[O-] ZINC000873235019 634295377 /nfs/dbraw/zinc/29/53/77/634295377.db2.gz JWZDZPXIHOHLIC-SJLPKXTDSA-N 1 3 298.430 3.393 20 10 CGCDHO CCCN(CCC)c1ccc(CN[C@@H](C)CC[NH3+])cc1 ZINC000841050026 635114559 /nfs/dbraw/zinc/11/45/59/635114559.db2.gz CPCAAVPLUPZZKW-HNNXBMFYSA-N 1 3 277.456 3.140 20 10 CGCDHO CC[NH2+]CC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000843054988 635551654 /nfs/dbraw/zinc/55/16/54/635551654.db2.gz BSRPHXXJIWHKGD-UHFFFAOYSA-N 1 3 296.842 3.176 20 10 CGCDHO CCC[NH+]1CCC(N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000037236863 798864043 /nfs/dbraw/zinc/86/40/43/798864043.db2.gz JEGGUDAIMAZDTE-OAHLLOKOSA-N 1 3 289.467 3.278 20 10 CGCDHO CC[C@H](C)[N@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140301860 804408673 /nfs/dbraw/zinc/40/86/73/804408673.db2.gz BQNRKDQCNIWBCO-INIZCTEOSA-N 1 3 289.467 3.059 20 10 CGCDHO CC[C@H](C)[N@@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140301860 804408676 /nfs/dbraw/zinc/40/86/76/804408676.db2.gz BQNRKDQCNIWBCO-INIZCTEOSA-N 1 3 289.467 3.059 20 10 CGCDHO CC[C@H]1C[C@H](N(CC)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246919250 804600942 /nfs/dbraw/zinc/60/09/42/804600942.db2.gz GIVKUFBEMPDRFP-FUHWJXTLSA-N 1 3 289.467 3.105 20 10 CGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC001206021717 813168855 /nfs/dbraw/zinc/16/88/55/813168855.db2.gz AULKEEXDAFCRNQ-CHWSQXEVSA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC001206021717 813168859 /nfs/dbraw/zinc/16/88/59/813168859.db2.gz AULKEEXDAFCRNQ-CHWSQXEVSA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1ccc(C)c(C[N@@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1[O-] ZINC001206591753 813367314 /nfs/dbraw/zinc/36/73/14/813367314.db2.gz VXKFOIUWMRXVLR-INIZCTEOSA-N 1 3 290.451 3.362 20 10 CGCDHO Cc1ccc(C)c(C[N@H+](C(C)C)[C@H]2CCC[NH2+]CC2)c1[O-] ZINC001206591753 813367321 /nfs/dbraw/zinc/36/73/21/813367321.db2.gz VXKFOIUWMRXVLR-INIZCTEOSA-N 1 3 290.451 3.362 20 10 CGCDHO CN(C)CCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1O ZINC001235676772 819136260 /nfs/dbraw/zinc/13/62/60/819136260.db2.gz UGICERGVWBBGLD-UHFFFAOYSA-N 1 3 278.440 3.073 20 10 CGCDHO CN(C)CCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1O ZINC001235676772 819136267 /nfs/dbraw/zinc/13/62/67/819136267.db2.gz UGICERGVWBBGLD-UHFFFAOYSA-N 1 3 278.440 3.073 20 10 CGCDHO C[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCCC[C@H]1N ZINC001236217874 819384792 /nfs/dbraw/zinc/38/47/92/819384792.db2.gz QQSFYDILULPRSR-CVEARBPZSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCCC[C@H]1N ZINC001236217874 819384798 /nfs/dbraw/zinc/38/47/98/819384798.db2.gz QQSFYDILULPRSR-CVEARBPZSA-N 1 3 290.451 3.391 20 10 CGCDHO CCN(Cc1cccc(C(C)(C)C)c1O)C[C@H]1CC[NH2+]C1 ZINC001236409414 819456249 /nfs/dbraw/zinc/45/62/49/819456249.db2.gz UQQJWZSVUZVMRJ-AWEZNQCLSA-N 1 3 290.451 3.121 20 10 CGCDHO CCCN(CCC[NH+](C)C)Cc1cc(F)cc(C)c1O ZINC001238067370 819922806 /nfs/dbraw/zinc/92/28/06/819922806.db2.gz OQRYVARLCOJLJX-UHFFFAOYSA-N 1 3 282.403 3.003 20 10 CGCDHO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000185358035 374646403 /nfs/dbraw/zinc/64/64/03/374646403.db2.gz WHBODUXBWUDHCV-JKSUJKDBSA-N 1 3 290.451 3.472 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[O-] ZINC000157596784 522720570 /nfs/dbraw/zinc/72/05/70/522720570.db2.gz MRQNQKGSIPYRBT-FMKPAKJESA-N 1 3 274.408 3.060 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1[O-] ZINC000157596784 522720578 /nfs/dbraw/zinc/72/05/78/522720578.db2.gz MRQNQKGSIPYRBT-FMKPAKJESA-N 1 3 274.408 3.060 20 10 CGCDHO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185351217 625349540 /nfs/dbraw/zinc/34/95/40/625349540.db2.gz XIYUWAQEQJGYBS-HNNXBMFYSA-N 1 3 290.451 3.473 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])c1[O-] ZINC000817977322 632269045 /nfs/dbraw/zinc/26/90/45/632269045.db2.gz HSYIXKOMECGUPJ-QWRGUYRKSA-N 1 3 270.804 3.132 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(C)cc1[O-] ZINC000817987532 632276091 /nfs/dbraw/zinc/27/60/91/632276091.db2.gz UBTWHQVRSPYDET-MPTYRVRUSA-N 1 3 288.435 3.129 20 10 CGCDHO CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccc1[O-] ZINC000873235595 634295463 /nfs/dbraw/zinc/29/54/63/634295463.db2.gz PQUVPQPZVARGSZ-GOSISDBHSA-N 1 3 296.414 3.279 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[O-] ZINC000873245698 634298799 /nfs/dbraw/zinc/29/87/99/634298799.db2.gz TXGQXZHCIUWHAT-HIFRSBDPSA-N 1 3 276.424 3.211 20 10 CGCDHO Cc1ccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c([O-])c1 ZINC000877711425 635159592 /nfs/dbraw/zinc/15/95/92/635159592.db2.gz IJWBPMHOLUQXIJ-UHFFFAOYSA-N 1 3 276.424 3.053 20 10 CGCDHO CC[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1[O-] ZINC000844922736 635985018 /nfs/dbraw/zinc/98/50/18/635985018.db2.gz DMLKQZUWFNJDIC-INIZCTEOSA-N 1 3 288.366 3.231 20 10 CGCDHO CCN(C)c1ccc([C@H](C)[NH2+]CC2(N)CCCC2)cc1 ZINC000854222609 638025777 /nfs/dbraw/zinc/02/57/77/638025777.db2.gz IDPLXUCQUFGNHA-AWEZNQCLSA-N 1 3 275.440 3.065 20 10 CGCDHO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2N)cc1 ZINC001236210476 819372524 /nfs/dbraw/zinc/37/25/24/819372524.db2.gz COSCRFBILVXSII-ROUUACIJSA-N 1 3 289.467 3.235 20 10 CGCDHO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2N)cc1 ZINC001236210476 819372528 /nfs/dbraw/zinc/37/25/28/819372528.db2.gz COSCRFBILVXSII-ROUUACIJSA-N 1 3 289.467 3.235 20 10 CGCDHO C[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@H]1CCCC[C@@H]1N ZINC001236220295 819385869 /nfs/dbraw/zinc/38/58/69/819385869.db2.gz YXABMLBQQXPMJR-HOTGVXAUSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@H]1CCCC[C@@H]1N ZINC001236220295 819385875 /nfs/dbraw/zinc/38/58/75/819385875.db2.gz YXABMLBQQXPMJR-HOTGVXAUSA-N 1 3 290.451 3.391 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001167841949 927030433 /nfs/dbraw/zinc/03/04/33/927030433.db2.gz VEGXLHDSVPIORO-HNNXBMFYSA-N 1 3 290.451 3.261 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001167841949 927030445 /nfs/dbraw/zinc/03/04/45/927030445.db2.gz VEGXLHDSVPIORO-HNNXBMFYSA-N 1 3 290.451 3.261 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCCC2)c(O)c1 ZINC000293756314 372471766 /nfs/dbraw/zinc/47/17/66/372471766.db2.gz OPFXKGMSGRDOHL-HNNXBMFYSA-N 1 3 276.424 3.146 20 10 CGCDHO Cc1ccc(O)c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093564064 392239645 /nfs/dbraw/zinc/23/96/45/392239645.db2.gz HMFBRDKABRIBLG-KRWDZBQOSA-N 1 3 288.435 3.151 20 10 CGCDHO CC[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(C)cc1[O-] ZINC000280241233 522580137 /nfs/dbraw/zinc/58/01/37/522580137.db2.gz VZKVFYBIONZZKB-HNNXBMFYSA-N 1 3 264.413 3.083 20 10 CGCDHO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000185650687 625405072 /nfs/dbraw/zinc/40/50/72/625405072.db2.gz HBAREIDQNYAISW-KKUMJFAQSA-N 1 3 276.424 3.224 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(C)cc1[O-] ZINC000817961127 632257440 /nfs/dbraw/zinc/25/74/40/632257440.db2.gz URYGUCIJEIFXNZ-KBMXLJTQSA-N 1 3 276.424 3.259 20 10 CGCDHO CC[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817966559 632261270 /nfs/dbraw/zinc/26/12/70/632261270.db2.gz QAOFPMBILYQFIX-ZWKOTPCHSA-N 1 3 289.467 3.183 20 10 CGCDHO CC[C@H](N)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979004 632269684 /nfs/dbraw/zinc/26/96/84/632269684.db2.gz GIRAGFHXEPQERB-ZFWWWQNUSA-N 1 3 293.430 3.204 20 10 CGCDHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817979003 632269942 /nfs/dbraw/zinc/26/99/42/632269942.db2.gz GIRAGFHXEPQERB-UKRRQHHQSA-N 1 3 293.430 3.204 20 10 CGCDHO CC[C@@H](N)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978808 632270765 /nfs/dbraw/zinc/27/07/65/632270765.db2.gz DZJIFWBDWCNQBO-GDBMZVCRSA-N 1 3 275.440 3.065 20 10 CGCDHO CC[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(N(C)C)cc1 ZINC000817982686 632272794 /nfs/dbraw/zinc/27/27/94/632272794.db2.gz VLYRMILYHXIJIJ-MSOLQXFVSA-N 1 3 289.467 3.311 20 10 CGCDHO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(F)ccc1[O-] ZINC000834908187 634283442 /nfs/dbraw/zinc/28/34/42/634283442.db2.gz HVUVKVXFCFCZPJ-LBPRGKRZSA-N 1 3 280.387 3.056 20 10 CGCDHO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cc(F)ccc1[O-] ZINC000834908187 634283447 /nfs/dbraw/zinc/28/34/47/634283447.db2.gz HVUVKVXFCFCZPJ-LBPRGKRZSA-N 1 3 280.387 3.056 20 10 CGCDHO Cc1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c([O-])c1 ZINC000876933693 634930843 /nfs/dbraw/zinc/93/08/43/634930843.db2.gz WPYHDTFEGLGGOU-MRXNPFEDSA-N 1 3 290.451 3.445 20 10 CGCDHO Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c([O-])c1 ZINC000876933693 634930848 /nfs/dbraw/zinc/93/08/48/634930848.db2.gz WPYHDTFEGLGGOU-MRXNPFEDSA-N 1 3 290.451 3.445 20 10 CGCDHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000841054965 635115582 /nfs/dbraw/zinc/11/55/82/635115582.db2.gz IXNIGQVCOBSFMY-DLBZAZTESA-N 1 3 287.451 3.036 20 10 CGCDHO CC[C@H]1C[C@@H](N(CC)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246919254 804600001 /nfs/dbraw/zinc/60/00/01/804600001.db2.gz GIVKUFBEMPDRFP-WMZOPIPTSA-N 1 3 289.467 3.105 20 10 CGCDHO CC[NH+](CC)C1CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC001173113574 808513628 /nfs/dbraw/zinc/51/36/28/808513628.db2.gz VILSGBLWKLGTEG-UHFFFAOYSA-N 1 3 290.451 3.477 20 10 CGCDHO CC[NH+](CC)C1CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001173113574 808513630 /nfs/dbraw/zinc/51/36/30/808513630.db2.gz VILSGBLWKLGTEG-UHFFFAOYSA-N 1 3 290.451 3.477 20 10 CGCDHO Cc1cccc([O-])c1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235236694 819043092 /nfs/dbraw/zinc/04/30/92/819043092.db2.gz HFOMAIMAQNGLFL-KRWDZBQOSA-N 1 3 288.435 3.055 20 10 CGCDHO CN(Cc1ccc(C(C)(C)C)cc1O)C[C@H]1CCC[NH2+]C1 ZINC001235957291 819245694 /nfs/dbraw/zinc/24/56/94/819245694.db2.gz MDFQHQMNGNDJAV-AWEZNQCLSA-N 1 3 290.451 3.121 20 10 CGCDHO CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1[O-] ZINC001236044526 819282755 /nfs/dbraw/zinc/28/27/55/819282755.db2.gz NDXBYFMNRBYSEW-UHFFFAOYSA-N 1 3 296.414 3.060 20 10 CGCDHO CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1[O-] ZINC001236044526 819282759 /nfs/dbraw/zinc/28/27/59/819282759.db2.gz NDXBYFMNRBYSEW-UHFFFAOYSA-N 1 3 296.414 3.060 20 10 CGCDHO C[NH+]1CCC2(C[NH+](Cc3cc4ccccc4cc3[O-])C2)CC1 ZINC001236836441 819614366 /nfs/dbraw/zinc/61/43/66/819614366.db2.gz JNOUNJMMQWSQAL-UHFFFAOYSA-N 1 3 296.414 3.073 20 10 CGCDHO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc(N2CCCC2)cc1 ZINC001329428608 935215226 /nfs/dbraw/zinc/21/52/26/935215226.db2.gz TZNUBARIRYDXJC-SFHVURJKSA-N 1 3 289.467 3.092 20 10 CGCDHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183532929 374424318 /nfs/dbraw/zinc/42/43/18/374424318.db2.gz ULUBPRHSWMWBDQ-AWEZNQCLSA-N 1 3 276.424 3.165 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)c(O)c1C ZINC000273432233 378745831 /nfs/dbraw/zinc/74/58/31/378745831.db2.gz WAPCVIVDZWWAMU-OAHLLOKOSA-N 1 3 276.424 3.146 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295923475 276097970 /nfs/dbraw/zinc/09/79/70/276097970.db2.gz JWNAETGUXLUHOG-ZBFHGGJFSA-N 1 3 290.451 3.480 20 10 CGCDHO CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(C)cc1[O-] ZINC000840809346 626192471 /nfs/dbraw/zinc/19/24/71/626192471.db2.gz JRUGZIQXLJPPOG-RDJZCZTQSA-N 1 3 290.451 3.473 20 10 CGCDHO CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1[O-] ZINC000840809346 626192472 /nfs/dbraw/zinc/19/24/72/626192472.db2.gz JRUGZIQXLJPPOG-RDJZCZTQSA-N 1 3 290.451 3.473 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000817982470 632273113 /nfs/dbraw/zinc/27/31/13/632273113.db2.gz SSJZSOJYHUWEEV-KBXCAEBGSA-N 1 3 289.467 3.311 20 10 CGCDHO CC[NH+](CC)CC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876577192 634861474 /nfs/dbraw/zinc/86/14/74/634861474.db2.gz XEBXJUMJVJKKSP-UHFFFAOYSA-N 1 3 290.451 3.254 20 10 CGCDHO CC(C)[NH+](CCCN[C@@H]1CCc2cccc(O)c21)C(C)C ZINC000834613106 634198715 /nfs/dbraw/zinc/19/87/15/634198715.db2.gz ZIWVEWDRVCRGMV-MRXNPFEDSA-N 1 3 290.451 3.478 20 10 CGCDHO Cc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC001140950213 804558990 /nfs/dbraw/zinc/55/89/90/804558990.db2.gz VUERLIIBLWWRBV-UHFFFAOYSA-N 1 3 290.451 3.253 20 10 CGCDHO Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC001140950213 804558992 /nfs/dbraw/zinc/55/89/92/804558992.db2.gz VUERLIIBLWWRBV-UHFFFAOYSA-N 1 3 290.451 3.253 20 10 CGCDHO CCN(Cc1ccc(N(C)C)cc1)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246927540 804603776 /nfs/dbraw/zinc/60/37/76/804603776.db2.gz WQQATVCOOATIQO-GJZGRUSLSA-N 1 3 289.467 3.104 20 10 CGCDHO CC[N@H+](Cc1ccc(N(C)C)cc1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246927540 804603779 /nfs/dbraw/zinc/60/37/79/804603779.db2.gz WQQATVCOOATIQO-GJZGRUSLSA-N 1 3 289.467 3.104 20 10 CGCDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)C1C[C@H](C)N[C@@H](C)C1 ZINC001246927540 804603782 /nfs/dbraw/zinc/60/37/82/804603782.db2.gz WQQATVCOOATIQO-GJZGRUSLSA-N 1 3 289.467 3.104 20 10 CGCDHO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC001169107181 807578890 /nfs/dbraw/zinc/57/88/90/807578890.db2.gz FUZOZNOMSOANAN-PLYYQAHHSA-N 1 3 287.451 3.028 20 10 CGCDHO C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC001169107181 807578895 /nfs/dbraw/zinc/57/88/95/807578895.db2.gz FUZOZNOMSOANAN-PLYYQAHHSA-N 1 3 287.451 3.028 20 10 CGCDHO Cc1cccc(CNC2CC(C)(C)[NH+](C)C(C)(C)C2)c1O ZINC001171625336 808106434 /nfs/dbraw/zinc/10/64/34/808106434.db2.gz HUQZNPBSDQIWSX-UHFFFAOYSA-N 1 3 290.451 3.442 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c([O-])c1 ZINC001205289386 812933866 /nfs/dbraw/zinc/93/38/66/812933866.db2.gz XEJDFYBBMJIZDJ-KRWDZBQOSA-N 1 3 276.424 3.219 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)c([O-])c1 ZINC001205289386 812933870 /nfs/dbraw/zinc/93/38/70/812933870.db2.gz XEJDFYBBMJIZDJ-KRWDZBQOSA-N 1 3 276.424 3.219 20 10 CGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC001206021725 813168832 /nfs/dbraw/zinc/16/88/32/813168832.db2.gz AULKEEXDAFCRNQ-QWHCGFSZSA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1[O-] ZINC001206021725 813168834 /nfs/dbraw/zinc/16/88/34/813168834.db2.gz AULKEEXDAFCRNQ-QWHCGFSZSA-N 1 3 296.842 3.161 20 10 CGCDHO CC(C)c1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2N)c(O)c1 ZINC001236219218 819386775 /nfs/dbraw/zinc/38/67/75/819386775.db2.gz USHJFGABQXOEIQ-HOTGVXAUSA-N 1 3 276.424 3.217 20 10 CGCDHO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2N)c(O)c1 ZINC001236219218 819386781 /nfs/dbraw/zinc/38/67/81/819386781.db2.gz USHJFGABQXOEIQ-HOTGVXAUSA-N 1 3 276.424 3.217 20 10 CGCDHO CCN(Cc1cc(C(C)(C)C)ccc1O)C[C@@H]1CC[NH2+]C1 ZINC001236408847 819455759 /nfs/dbraw/zinc/45/57/59/819455759.db2.gz PBNXXIADDJKLRW-CQSZACIVSA-N 1 3 290.451 3.121 20 10 CGCDHO [NH3+]CCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC001325756507 934927564 /nfs/dbraw/zinc/92/75/64/934927564.db2.gz WIQOSSMHMDIIIK-GOSISDBHSA-N 1 3 298.430 3.395 20 10 CGCDHO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000268981135 378164802 /nfs/dbraw/zinc/16/48/02/378164802.db2.gz HSEFTLWBKCTOLC-RHSMWYFYSA-N 1 3 277.456 3.134 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@H](C)CC[NH+](C)C)cc1 ZINC000269033501 378177314 /nfs/dbraw/zinc/17/73/14/378177314.db2.gz SFAJEQIKNFQKQN-CABCVRRESA-N 1 3 277.456 3.134 20 10 CGCDHO CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C)cc1[O-] ZINC000280156343 522572073 /nfs/dbraw/zinc/57/20/73/522572073.db2.gz QLICVTAZTAOCPN-INIZCTEOSA-N 1 3 274.408 3.003 20 10 CGCDHO CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C)cc1[O-] ZINC000280156343 522572080 /nfs/dbraw/zinc/57/20/80/522572080.db2.gz QLICVTAZTAOCPN-INIZCTEOSA-N 1 3 274.408 3.003 20 10 CGCDHO C[C@@H](C[NH3+])C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817962711 632257553 /nfs/dbraw/zinc/25/75/53/632257553.db2.gz NLOIEFNYMNHSOV-YJBOKZPZSA-N 1 3 298.430 3.251 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(C)cc1[O-] ZINC000817987530 632275632 /nfs/dbraw/zinc/27/56/32/632275632.db2.gz UBTWHQVRSPYDET-HWMZRRJGSA-N 1 3 288.435 3.129 20 10 CGCDHO CCOc1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)c([O-])c1 ZINC000824913749 633305142 /nfs/dbraw/zinc/30/51/42/633305142.db2.gz DONCMDWHQDIKKV-UHFFFAOYSA-N 1 3 294.439 3.001 20 10 CGCDHO CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccccc1[O-] ZINC000834908961 634284423 /nfs/dbraw/zinc/28/44/23/634284423.db2.gz NMFZEZUDIOOKHI-INIZCTEOSA-N 1 3 276.424 3.307 20 10 CGCDHO CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1[O-] ZINC000834908961 634284425 /nfs/dbraw/zinc/28/44/25/634284425.db2.gz NMFZEZUDIOOKHI-INIZCTEOSA-N 1 3 276.424 3.307 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000840935287 635085035 /nfs/dbraw/zinc/08/50/35/635085035.db2.gz KRUZGBBXQMGRFJ-DLBZAZTESA-N 1 3 289.467 3.023 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1[O-] ZINC000925804056 638617478 /nfs/dbraw/zinc/61/74/78/638617478.db2.gz YSPLBSCPZKKEIE-FRRDWIJNSA-N 1 3 296.842 3.250 20 10 CGCDHO CN(C)CCC[N@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143104679 804802551 /nfs/dbraw/zinc/80/25/51/804802551.db2.gz XFDGVQSVQFGSKN-UHFFFAOYSA-N 1 3 278.440 3.073 20 10 CGCDHO CN(C)CCC[N@@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143104679 804802557 /nfs/dbraw/zinc/80/25/57/804802557.db2.gz XFDGVQSVQFGSKN-UHFFFAOYSA-N 1 3 278.440 3.073 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c([O-])c1 ZINC001206573151 813359321 /nfs/dbraw/zinc/35/93/21/813359321.db2.gz IRFCGTPRLPWEHG-SFHVURJKSA-N 1 3 290.451 3.467 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c([O-])c1 ZINC001206573151 813359327 /nfs/dbraw/zinc/35/93/27/813359327.db2.gz IRFCGTPRLPWEHG-SFHVURJKSA-N 1 3 290.451 3.467 20 10 CGCDHO C[C@H]1[C@H](N)CCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420483 819466728 /nfs/dbraw/zinc/46/67/28/819466728.db2.gz MTYHFOHBERDWCP-KBXCAEBGSA-N 1 3 297.446 3.217 20 10 CGCDHO C[C@H]1[C@H](N)CCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001236420483 819466736 /nfs/dbraw/zinc/46/67/36/819466736.db2.gz MTYHFOHBERDWCP-KBXCAEBGSA-N 1 3 297.446 3.217 20 10 CGCDHO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(N2CCCC2)cc1 ZINC001329428605 935215297 /nfs/dbraw/zinc/21/52/97/935215297.db2.gz TZNUBARIRYDXJC-GOSISDBHSA-N 1 3 289.467 3.092 20 10 CGCDHO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cc(F)ccc1[O-] ZINC000293602251 372422421 /nfs/dbraw/zinc/42/24/21/372422421.db2.gz DNBKIHULKZFJMJ-AWEZNQCLSA-N 1 3 294.414 3.448 20 10 CGCDHO Cc1ccc([O-])c([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000168757971 372619408 /nfs/dbraw/zinc/61/94/08/372619408.db2.gz AKZUQOWAPWFQMA-AWEZNQCLSA-N 1 3 276.424 3.083 20 10 CGCDHO Cc1cccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000180362983 373995059 /nfs/dbraw/zinc/99/50/59/373995059.db2.gz LXELRMHYXYVNIL-KRWDZBQOSA-N 1 3 288.435 3.151 20 10 CGCDHO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000173451108 392625606 /nfs/dbraw/zinc/62/56/06/392625606.db2.gz CXLSAAKNGJTOJX-MRXNPFEDSA-N 1 3 290.451 3.173 20 10 CGCDHO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000173451108 392625611 /nfs/dbraw/zinc/62/56/11/392625611.db2.gz CXLSAAKNGJTOJX-MRXNPFEDSA-N 1 3 290.451 3.173 20 10 CGCDHO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CN2CCCCC2)c1 ZINC000038041963 174044319 /nfs/dbraw/zinc/04/43/19/174044319.db2.gz LCROUCVOKHZZNF-HOTGVXAUSA-N 1 3 290.451 3.473 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c([O-])c1 ZINC000230672021 333320580 /nfs/dbraw/zinc/32/05/80/333320580.db2.gz MGXXBPPMCNCUMF-CQSZACIVSA-N 1 3 276.424 3.083 20 10 CGCDHO Cc1cc(O)c(C[N@@H+](C)CC[C@@H]2CCCCN2C)cc1C ZINC000093660002 619208651 /nfs/dbraw/zinc/20/86/51/619208651.db2.gz ROYBMFMLYFYWHX-KRWDZBQOSA-N 1 3 290.451 3.315 20 10 CGCDHO Cc1cc(O)c(C[N@H+](C)CC[C@@H]2CCCCN2C)cc1C ZINC000093660002 619208653 /nfs/dbraw/zinc/20/86/53/619208653.db2.gz ROYBMFMLYFYWHX-KRWDZBQOSA-N 1 3 290.451 3.315 20 10 CGCDHO CCN(C)c1ccc([C@@H](C)N2CCC([NH3+])(CC)CC2)cc1 ZINC000925758147 619221524 /nfs/dbraw/zinc/22/15/24/619221524.db2.gz YWQLAVIHFWCBKW-OAHLLOKOSA-N 1 3 289.467 3.407 20 10 CGCDHO C[C@@H]([NH3+])c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000904351334 621911411 /nfs/dbraw/zinc/91/14/11/621911411.db2.gz XYZZHWWMRYEVDV-CQSZACIVSA-N 1 3 296.414 3.321 20 10 CGCDHO C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000062078589 623198271 /nfs/dbraw/zinc/19/82/71/623198271.db2.gz MQZIDPJPULDGMO-JKSUJKDBSA-N 1 3 289.467 3.135 20 10 CGCDHO Cc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1[O-] ZINC000839181924 626326683 /nfs/dbraw/zinc/32/66/83/626326683.db2.gz KMKSMJRCUBBTBQ-ZDUSSCGKSA-N 1 3 296.842 3.176 20 10 CGCDHO Cc1cc(Cl)cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1[O-] ZINC000839181924 626326685 /nfs/dbraw/zinc/32/66/85/626326685.db2.gz KMKSMJRCUBBTBQ-ZDUSSCGKSA-N 1 3 296.842 3.176 20 10 CGCDHO CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccccc1[O-] ZINC000839182920 626327181 /nfs/dbraw/zinc/32/71/81/626327181.db2.gz RTXWYXSZOYBTMU-GOEBONIOSA-N 1 3 276.424 3.165 20 10 CGCDHO CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1[O-] ZINC000839182920 626327182 /nfs/dbraw/zinc/32/71/82/626327182.db2.gz RTXWYXSZOYBTMU-GOEBONIOSA-N 1 3 276.424 3.165 20 10 CGCDHO Cc1ccc([C@@H](C)NCCC[NH2+]C(C)C)c(O)c1C ZINC000817952921 632247876 /nfs/dbraw/zinc/24/78/76/632247876.db2.gz IXHOPEQISHUXQK-CQSZACIVSA-N 1 3 264.413 3.048 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1[O-] ZINC000817954069 632248964 /nfs/dbraw/zinc/24/89/64/632248964.db2.gz BDYQJDJRTSMTKT-NWDGAFQWSA-N 1 3 282.815 3.004 20 10 CGCDHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(N2CCCCC2)cc1 ZINC000817965690 632260423 /nfs/dbraw/zinc/26/04/23/632260423.db2.gz ZEPLXDYLTGTAQJ-OAHLLOKOSA-N 1 3 287.451 3.209 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c([O-])c1 ZINC000873245703 634299451 /nfs/dbraw/zinc/29/94/51/634299451.db2.gz TXLJMFRJOQBPIH-KBPBESRZSA-N 1 3 276.424 3.129 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c([O-])c1 ZINC000873260687 634308391 /nfs/dbraw/zinc/30/83/91/634308391.db2.gz FSRQZNCPVLYVJX-JONQDZQNSA-N 1 3 288.435 3.190 20 10 CGCDHO CC[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000873271359 634313755 /nfs/dbraw/zinc/31/37/55/634313755.db2.gz HJFZNFPPFOZCJB-XJKSGUPXSA-N 1 3 276.424 3.129 20 10 CGCDHO CCN(CC)c1ccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000843050915 635550511 /nfs/dbraw/zinc/55/05/11/635550511.db2.gz BCAYKTFQHRYGMI-DOTOQJQBSA-N 1 3 289.467 3.092 20 10 CGCDHO Cc1cc(Cl)cc(CN(C)CC[C@H]([NH3+])C(C)C)c1O ZINC000843056434 635553862 /nfs/dbraw/zinc/55/38/62/635553862.db2.gz JUOVRTRRIUXMDJ-AWEZNQCLSA-N 1 3 284.831 3.159 20 10 CGCDHO C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2c1c(F)ccc2[O-] ZINC000848557919 636605922 /nfs/dbraw/zinc/60/59/22/636605922.db2.gz LSWAPVKIMPWWLR-FMSGJZPZSA-N 1 3 292.398 3.009 20 10 CGCDHO CCN(C)c1ccc([C@H](C)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000854230346 638028780 /nfs/dbraw/zinc/02/87/80/638028780.db2.gz NPLNENMGLDFYTN-WMLDXEAASA-N 1 3 277.456 3.167 20 10 CGCDHO CCCC[NH+]1CCC(N(C)Cc2cc(C)ccc2O)CC1 ZINC001140624243 804478474 /nfs/dbraw/zinc/47/84/74/804478474.db2.gz MTFVSGPFJKTFCF-UHFFFAOYSA-N 1 3 290.451 3.397 20 10 CGCDHO CC[C@@H]1C[C@H](N(CC)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246919252 804600305 /nfs/dbraw/zinc/60/03/05/804600305.db2.gz GIVKUFBEMPDRFP-SJLPKXTDSA-N 1 3 289.467 3.105 20 10 CGCDHO CCc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]C)(C2)CCC3)c([O-])c1 ZINC001276804371 809032321 /nfs/dbraw/zinc/03/23/21/809032321.db2.gz AQKPCRUDCOQCMO-MSOLQXFVSA-N 1 3 288.435 3.109 20 10 CGCDHO C[C@H]1CNCCC[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001206257343 813258307 /nfs/dbraw/zinc/25/83/07/813258307.db2.gz ATXKTGBTOANBPR-HNNXBMFYSA-N 1 3 297.446 3.090 20 10 CGCDHO C[C@H]1CNCCC[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001206257343 813258309 /nfs/dbraw/zinc/25/83/09/813258309.db2.gz ATXKTGBTOANBPR-HNNXBMFYSA-N 1 3 297.446 3.090 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCCC[C@@](F)(CN)C2)c(O)c1 ZINC001206370018 813305370 /nfs/dbraw/zinc/30/53/70/813305370.db2.gz KINOFKHEIZUGEJ-QGZVFWFLSA-N 1 3 294.414 3.169 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCCC[C@@](F)(CN)C2)c(O)c1 ZINC001206370018 813305377 /nfs/dbraw/zinc/30/53/77/813305377.db2.gz KINOFKHEIZUGEJ-QGZVFWFLSA-N 1 3 294.414 3.169 20 10 CGCDHO Cc1c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c2ccccc2n1C ZINC001222148015 816359894 /nfs/dbraw/zinc/35/98/94/816359894.db2.gz HWENHFGWHURODN-IBGZPJMESA-N 1 3 297.446 3.062 20 10 CGCDHO Cc1c(C[N@@H+]2CCCC23CCNCC3)c2ccccc2n1C ZINC001235140190 819015121 /nfs/dbraw/zinc/01/51/21/819015121.db2.gz GFCRVGAVUCWGES-UHFFFAOYSA-N 1 3 297.446 3.205 20 10 CGCDHO Cc1c(C[N@H+]2CCCC23CCNCC3)c2ccccc2n1C ZINC001235140190 819015127 /nfs/dbraw/zinc/01/51/27/819015127.db2.gz GFCRVGAVUCWGES-UHFFFAOYSA-N 1 3 297.446 3.205 20 10 CGCDHO Cc1cc(CN2CCC[C@@H](C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001235674346 819135521 /nfs/dbraw/zinc/13/55/21/819135521.db2.gz SFLRSADWUDRQAY-KRWDZBQOSA-N 1 3 297.446 3.265 20 10 CGCDHO CC[N@H+](Cc1cccc(C(C)(C)C)c1O)C1CCNCC1 ZINC001235761593 819161174 /nfs/dbraw/zinc/16/11/74/819161174.db2.gz MUVYXKUPYUXFTA-UHFFFAOYSA-N 1 3 290.451 3.264 20 10 CGCDHO CC[N@@H+](Cc1cccc(C(C)(C)C)c1O)C1CCNCC1 ZINC001235761593 819161177 /nfs/dbraw/zinc/16/11/77/819161177.db2.gz MUVYXKUPYUXFTA-UHFFFAOYSA-N 1 3 290.451 3.264 20 10 CGCDHO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2N)cc1 ZINC001236210477 819372922 /nfs/dbraw/zinc/37/29/22/819372922.db2.gz COSCRFBILVXSII-ZWKOTPCHSA-N 1 3 289.467 3.235 20 10 CGCDHO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2N)cc1 ZINC001236210477 819372926 /nfs/dbraw/zinc/37/29/26/819372926.db2.gz COSCRFBILVXSII-ZWKOTPCHSA-N 1 3 289.467 3.235 20 10 CGCDHO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001461253835 937572078 /nfs/dbraw/zinc/57/20/78/937572078.db2.gz GTORQTCLJOHSLV-CVEARBPZSA-N 1 3 299.462 3.449 20 10 CGCDHO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000268981136 378164902 /nfs/dbraw/zinc/16/49/02/378164902.db2.gz HSEFTLWBKCTOLC-WMLDXEAASA-N 1 3 277.456 3.134 20 10 CGCDHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000271849960 378510473 /nfs/dbraw/zinc/51/04/73/378510473.db2.gz ILADANIRYKPCRL-GOSISDBHSA-N 1 3 287.451 3.055 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]CCCC[NH+](C)C)c([O-])c1 ZINC000284240507 524328724 /nfs/dbraw/zinc/32/87/24/524328724.db2.gz UZZFHSUBYNGXJB-CQSZACIVSA-N 1 3 264.413 3.001 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000766166430 627300862 /nfs/dbraw/zinc/30/08/62/627300862.db2.gz QWMTWXOTPBQQRH-HLLBOEOZSA-N 1 3 289.467 3.276 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000766166430 627300865 /nfs/dbraw/zinc/30/08/65/627300865.db2.gz QWMTWXOTPBQQRH-HLLBOEOZSA-N 1 3 289.467 3.276 20 10 CGCDHO Cc1cc(O)c(CNCC(C)(C)C[NH+]2CCCC2)cc1C ZINC000791010790 629249897 /nfs/dbraw/zinc/24/98/97/629249897.db2.gz KGFLSPXPSRBQRL-UHFFFAOYSA-N 1 3 290.451 3.221 20 10 CGCDHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(N2CCCCC2)cc1 ZINC000817954515 632248804 /nfs/dbraw/zinc/24/88/04/632248804.db2.gz ZSPGQDOVBISRRP-LSDHHAIUSA-N 1 3 275.440 3.065 20 10 CGCDHO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1[O-] ZINC000817976436 632267324 /nfs/dbraw/zinc/26/73/24/632267324.db2.gz XWFWAIDVGJHCRZ-IIAWOOMASA-N 1 3 276.424 3.198 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)c(O)c1C ZINC000817986314 632275021 /nfs/dbraw/zinc/27/50/21/632275021.db2.gz PMSBVQKWFDPYRD-HUUCEWRRSA-N 1 3 288.435 3.334 20 10 CGCDHO Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c([O-])c1 ZINC000876576815 634861378 /nfs/dbraw/zinc/86/13/78/634861378.db2.gz QJZZJRRQHFLVBY-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO CC[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000873271358 634313924 /nfs/dbraw/zinc/31/39/24/634313924.db2.gz HJFZNFPPFOZCJB-BBRMVZONSA-N 1 3 276.424 3.129 20 10 CGCDHO Cc1ccc(C[NH2+]CCCC[NH+]2CCC(C)CC2)c([O-])c1 ZINC000876935147 634930747 /nfs/dbraw/zinc/93/07/47/634930747.db2.gz QORWWRFPJXAERQ-UHFFFAOYSA-N 1 3 290.451 3.302 20 10 CGCDHO Cc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c([O-])c1 ZINC000877684526 635145593 /nfs/dbraw/zinc/14/55/93/635145593.db2.gz WMFFMEJHXMMZNE-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO Cc1cccc(C[N@H+](CCC[NH3+])CC2CCCC2)c1[O-] ZINC000843122729 635559856 /nfs/dbraw/zinc/55/98/56/635559856.db2.gz DOELXTGKVGACLG-UHFFFAOYSA-N 1 3 276.424 3.042 20 10 CGCDHO Cc1cccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1[O-] ZINC000843122729 635559860 /nfs/dbraw/zinc/55/98/60/635559860.db2.gz DOELXTGKVGACLG-UHFFFAOYSA-N 1 3 276.424 3.042 20 10 CGCDHO Cc1cc(O)c(CN(CCC[NH3+])Cc2ccccc2)cc1C ZINC000843107297 635560735 /nfs/dbraw/zinc/56/07/35/635560735.db2.gz FETLJBSLCDTIHH-UHFFFAOYSA-N 1 3 298.430 3.360 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c1[O-] ZINC000844921959 635984743 /nfs/dbraw/zinc/98/47/43/635984743.db2.gz XZEFOJWBHGOGFU-LLVKDONJSA-N 1 3 282.815 3.134 20 10 CGCDHO CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000886520426 637550454 /nfs/dbraw/zinc/55/04/54/637550454.db2.gz DTLNHOIRUYIHOH-UHFFFAOYSA-N 1 3 288.435 3.279 20 10 CGCDHO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccccc2[O-])C1 ZINC000155274889 639928041 /nfs/dbraw/zinc/92/80/41/639928041.db2.gz FYPMGBAXIDCJPU-ZBFHGGJFSA-N 1 3 276.424 3.165 20 10 CGCDHO CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2ccccc2[O-])C1 ZINC000155274889 639928051 /nfs/dbraw/zinc/92/80/51/639928051.db2.gz FYPMGBAXIDCJPU-ZBFHGGJFSA-N 1 3 276.424 3.165 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205591180 813015468 /nfs/dbraw/zinc/01/54/68/813015468.db2.gz GGLPPKQJURDMAJ-KRWDZBQOSA-N 1 3 294.414 3.169 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)c([O-])c1 ZINC001205591180 813015473 /nfs/dbraw/zinc/01/54/73/813015473.db2.gz GGLPPKQJURDMAJ-KRWDZBQOSA-N 1 3 294.414 3.169 20 10 CGCDHO Cc1c(CN2CCC3(CC[NH2+]C3)CC2)c2ccccc2n1C ZINC001235104853 819003748 /nfs/dbraw/zinc/00/37/48/819003748.db2.gz VKEVMHOFDJMUMX-UHFFFAOYSA-N 1 3 297.446 3.062 20 10 CGCDHO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235162911 819019510 /nfs/dbraw/zinc/01/95/10/819019510.db2.gz YFMXVCVKPAVERJ-QGZVFWFLSA-N 1 3 288.435 3.055 20 10 CGCDHO Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235162911 819019516 /nfs/dbraw/zinc/01/95/16/819019516.db2.gz YFMXVCVKPAVERJ-QGZVFWFLSA-N 1 3 288.435 3.055 20 10 CGCDHO Cc1cccc([O-])c1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235236696 819043270 /nfs/dbraw/zinc/04/32/70/819043270.db2.gz HFOMAIMAQNGLFL-QGZVFWFLSA-N 1 3 288.435 3.055 20 10 CGCDHO C[C@@H]1C[C@H](N)C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044554 819282222 /nfs/dbraw/zinc/28/22/22/819282222.db2.gz NSOAVWPIIRBMQO-ZBFHGGJFSA-N 1 3 297.446 3.075 20 10 CGCDHO C[C@@H]1C[C@H](N)C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044554 819282227 /nfs/dbraw/zinc/28/22/27/819282227.db2.gz NSOAVWPIIRBMQO-ZBFHGGJFSA-N 1 3 297.446 3.075 20 10 CGCDHO Cc1cc(CN2CC[C@@](C)(C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001236604227 819550508 /nfs/dbraw/zinc/55/05/08/819550508.db2.gz JTTJGIGFZALESN-IBGZPJMESA-N 1 3 297.446 3.265 20 10 CGCDHO CCCN(Cc1c2ccccc2n(C)c1C)C[C@@H]1CC[NH2+]C1 ZINC001236835840 819615629 /nfs/dbraw/zinc/61/56/29/819615629.db2.gz PSRKNGCBAWIZQU-MRXNPFEDSA-N 1 3 299.462 3.308 20 10 CGCDHO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](N)CCC(C)(C)C)c1 ZINC001579230745 962623702 /nfs/dbraw/zinc/62/37/02/962623702.db2.gz YUGMBKUWUGVRJD-QWHCGFSZSA-N 1 3 294.439 3.205 20 10 CGCDHO CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273382958 378743266 /nfs/dbraw/zinc/74/32/66/378743266.db2.gz ITVBVAHDJMTAPA-CABCVRRESA-N 1 3 276.424 3.001 20 10 CGCDHO CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1[O-] ZINC000289437783 521305691 /nfs/dbraw/zinc/30/56/91/521305691.db2.gz LQLZJHGWCRMJLQ-UHFFFAOYSA-N 1 3 298.430 3.476 20 10 CGCDHO CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1[O-] ZINC000289437783 521305695 /nfs/dbraw/zinc/30/56/95/521305695.db2.gz LQLZJHGWCRMJLQ-UHFFFAOYSA-N 1 3 298.430 3.476 20 10 CGCDHO Cc1ccc(O)c(CNCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000071406013 525350228 /nfs/dbraw/zinc/35/02/28/525350228.db2.gz ICZQFJPQIHLKTN-HNNXBMFYSA-N 1 3 276.424 3.055 20 10 CGCDHO Cc1ccc(O)c(CNCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000071406013 525350239 /nfs/dbraw/zinc/35/02/39/525350239.db2.gz ICZQFJPQIHLKTN-HNNXBMFYSA-N 1 3 276.424 3.055 20 10 CGCDHO COc1ccc(C[NH2+]C2CC(N3CCCCC3)C2)cc1C ZINC000793336995 629444674 /nfs/dbraw/zinc/44/46/74/629444674.db2.gz QCJYIZSTMAHOGJ-UHFFFAOYSA-N 1 3 288.435 3.110 20 10 CGCDHO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CN)c1ccc(N(C)C)cc1 ZINC000817960773 632255859 /nfs/dbraw/zinc/25/58/59/632255859.db2.gz RKJARVQSRJYBFO-NJAFHUGGSA-N 1 3 289.467 3.311 20 10 CGCDHO C[C@@H](N[C@H](C[NH3+])C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000817960392 632255994 /nfs/dbraw/zinc/25/59/94/632255994.db2.gz YNFFQTSUISPVLU-RDTXWAMCSA-N 1 3 289.467 3.311 20 10 CGCDHO CCCC[C@@H](C[NH3+])N[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000817962525 632257521 /nfs/dbraw/zinc/25/75/21/632257521.db2.gz JNWNHIIRVRYFCZ-RDJZCZTQSA-N 1 3 277.456 3.311 20 10 CGCDHO C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817978087 632268567 /nfs/dbraw/zinc/26/85/67/632268567.db2.gz VTMHZRXCHDPOBH-IHRRRGAJSA-N 1 3 293.430 3.202 20 10 CGCDHO Cc1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1[O-] ZINC000872251532 634089355 /nfs/dbraw/zinc/08/93/55/634089355.db2.gz LVSBSMMTUQNCKA-AWEZNQCLSA-N 1 3 296.842 3.222 20 10 CGCDHO CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccccc1[O-] ZINC000873235596 634295269 /nfs/dbraw/zinc/29/52/69/634295269.db2.gz PQUVPQPZVARGSZ-SFHVURJKSA-N 1 3 296.414 3.279 20 10 CGCDHO CC(C)[C@H]([NH3+])CCNCc1ccc(N2CCCCC2)cc1 ZINC000853247138 637794096 /nfs/dbraw/zinc/79/40/96/637794096.db2.gz DOERYIKDNUZNGA-GOSISDBHSA-N 1 3 289.467 3.140 20 10 CGCDHO CN(C)c1ccc(C[N@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000163369272 799082635 /nfs/dbraw/zinc/08/26/35/799082635.db2.gz LWICZXJQHKBDEI-GOSISDBHSA-N 1 3 289.467 3.059 20 10 CGCDHO CN(C)c1ccc(C[N@@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000163369272 799082643 /nfs/dbraw/zinc/08/26/43/799082643.db2.gz LWICZXJQHKBDEI-GOSISDBHSA-N 1 3 289.467 3.059 20 10 CGCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(N)CCCC1 ZINC001118608956 802589548 /nfs/dbraw/zinc/58/95/48/802589548.db2.gz MUWDPUVRAOJBQY-QWHCGFSZSA-N 1 3 274.408 3.110 20 10 CGCDHO CC1([NH+]2CCC2)CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC001119980858 802719803 /nfs/dbraw/zinc/71/98/03/802719803.db2.gz MTTLVDNOZCXGDP-UHFFFAOYSA-N 1 3 292.398 3.028 20 10 CGCDHO CCC[N@H+](CC)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140300770 804409089 /nfs/dbraw/zinc/40/90/89/804409089.db2.gz SIFRNEKQERVROT-UHFFFAOYSA-N 1 3 289.467 3.060 20 10 CGCDHO CCC[N@@H+](CC)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140300770 804409092 /nfs/dbraw/zinc/40/90/92/804409092.db2.gz SIFRNEKQERVROT-UHFFFAOYSA-N 1 3 289.467 3.060 20 10 CGCDHO CC(C)c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001234997308 818971946 /nfs/dbraw/zinc/97/19/46/818971946.db2.gz ASXUSUVAGNJWKT-GOSISDBHSA-N 1 3 288.435 3.091 20 10 CGCDHO Cc1ccc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235162909 819019753 /nfs/dbraw/zinc/01/97/53/819019753.db2.gz YFMXVCVKPAVERJ-KRWDZBQOSA-N 1 3 288.435 3.055 20 10 CGCDHO Cc1ccc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c([O-])c1 ZINC001235162909 819019761 /nfs/dbraw/zinc/01/97/61/819019761.db2.gz YFMXVCVKPAVERJ-KRWDZBQOSA-N 1 3 288.435 3.055 20 10 CGCDHO CN(Cc1cccc(C(C)(C)C)c1O)C[C@@H]1CCC[NH2+]C1 ZINC001235958205 819245568 /nfs/dbraw/zinc/24/55/68/819245568.db2.gz YRPGBQLKMNTREN-CQSZACIVSA-N 1 3 290.451 3.121 20 10 CGCDHO C[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@H]1CCCC[C@H]1N ZINC001236220290 819385809 /nfs/dbraw/zinc/38/58/09/819385809.db2.gz YXABMLBQQXPMJR-CVEARBPZSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@H]1CCCC[C@H]1N ZINC001236220290 819385814 /nfs/dbraw/zinc/38/58/14/819385814.db2.gz YXABMLBQQXPMJR-CVEARBPZSA-N 1 3 290.451 3.391 20 10 CGCDHO CN(C)c1ccc(CN2CCC[NH2+]CCC2)c2ccccc21 ZINC001236240285 819399183 /nfs/dbraw/zinc/39/91/83/819399183.db2.gz NYNUWCVSANJUJR-UHFFFAOYSA-N 1 3 297.446 3.091 20 10 CGCDHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226619036 376366921 /nfs/dbraw/zinc/36/69/21/376366921.db2.gz OFVWOJNZJIROQA-ZDUSSCGKSA-N 1 3 282.403 3.131 20 10 CGCDHO CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(C)cc1[O-] ZINC000840809344 626192352 /nfs/dbraw/zinc/19/23/52/626192352.db2.gz JRUGZIQXLJPPOG-DOTOQJQBSA-N 1 3 290.451 3.473 20 10 CGCDHO CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1[O-] ZINC000840809344 626192353 /nfs/dbraw/zinc/19/23/53/626192353.db2.gz JRUGZIQXLJPPOG-DOTOQJQBSA-N 1 3 290.451 3.473 20 10 CGCDHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817946664 632243563 /nfs/dbraw/zinc/24/35/63/632243563.db2.gz CUGIQYDFOLWLAZ-KYJSFNMBSA-N 1 3 289.467 3.181 20 10 CGCDHO CC[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ccccc1[O-] ZINC000817947694 632244290 /nfs/dbraw/zinc/24/42/90/632244290.db2.gz FUFSNJSGXZWWCN-KRWDZBQOSA-N 1 3 284.403 3.134 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000817947765 632244627 /nfs/dbraw/zinc/24/46/27/632244627.db2.gz QLBZQGKTHNLCIY-YQQAZPJKSA-N 1 3 289.467 3.181 20 10 CGCDHO C[C@H](C[NH3+])C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817962706 632257926 /nfs/dbraw/zinc/25/79/26/632257926.db2.gz NLOIEFNYMNHSOV-CRAIPNDOSA-N 1 3 298.430 3.251 20 10 CGCDHO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)[C@H](C)N ZINC000817978089 632268624 /nfs/dbraw/zinc/26/86/24/632268624.db2.gz VTMHZRXCHDPOBH-MJBXVCDLSA-N 1 3 293.430 3.202 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000817982472 632272883 /nfs/dbraw/zinc/27/28/83/632272883.db2.gz SSJZSOJYHUWEEV-KSSFIOAISA-N 1 3 289.467 3.311 20 10 CGCDHO CCC[N@H+](CCCCCC[NH3+])Cc1ccccc1[O-] ZINC000846218442 636161461 /nfs/dbraw/zinc/16/14/61/636161461.db2.gz OJHOZSROPLYEEZ-UHFFFAOYSA-N 1 3 264.413 3.123 20 10 CGCDHO CCC[N@@H+](CCCCCC[NH3+])Cc1ccccc1[O-] ZINC000846218442 636161464 /nfs/dbraw/zinc/16/14/64/636161464.db2.gz OJHOZSROPLYEEZ-UHFFFAOYSA-N 1 3 264.413 3.123 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[NH2+]CCCN1CCCCC1 ZINC000840928276 635084188 /nfs/dbraw/zinc/08/41/88/635084188.db2.gz NRMRIVPCKWIFEX-UHFFFAOYSA-N 1 3 289.467 3.027 20 10 CGCDHO CCCN(CCC)c1ccc(CN[C@H](C)CC[NH3+])cc1 ZINC000841050027 635114079 /nfs/dbraw/zinc/11/40/79/635114079.db2.gz CPCAAVPLUPZZKW-OAHLLOKOSA-N 1 3 277.456 3.140 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c([O-])c1 ZINC000844924988 635986212 /nfs/dbraw/zinc/98/62/12/635986212.db2.gz OOOQYFDNHRVCLC-AWEZNQCLSA-N 1 3 276.424 3.049 20 10 CGCDHO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2c1c(F)ccc2[O-] ZINC000848557920 636605416 /nfs/dbraw/zinc/60/54/16/636605416.db2.gz LSWAPVKIMPWWLR-NMKXLXIOSA-N 1 3 292.398 3.009 20 10 CGCDHO CCCN(CCC[NH+](C)C)Cc1ccc(N(C)C)c(C)c1 ZINC001139673432 804248428 /nfs/dbraw/zinc/24/84/28/804248428.db2.gz GXYXDMLLDFKGQB-UHFFFAOYSA-N 1 3 291.483 3.225 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCNCC[C@H]2C)cc1 ZINC001205324842 812954868 /nfs/dbraw/zinc/95/48/68/812954868.db2.gz GVUPGQUEWARTBJ-OAHLLOKOSA-N 1 3 297.446 3.278 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCNCC[C@H]2C)cc1 ZINC001205324842 812954871 /nfs/dbraw/zinc/95/48/71/812954871.db2.gz GVUPGQUEWARTBJ-OAHLLOKOSA-N 1 3 297.446 3.278 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c([O-])c1 ZINC001205652840 813043144 /nfs/dbraw/zinc/04/31/44/813043144.db2.gz RIUYMPHQFJXNPQ-HOCLYGCPSA-N 1 3 290.451 3.322 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c([O-])c1 ZINC001205652840 813043154 /nfs/dbraw/zinc/04/31/54/813043154.db2.gz RIUYMPHQFJXNPQ-HOCLYGCPSA-N 1 3 290.451 3.322 20 10 CGCDHO CC(C)c1ccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c([O-])c1 ZINC001206573150 813359815 /nfs/dbraw/zinc/35/98/15/813359815.db2.gz IRFCGTPRLPWEHG-GOSISDBHSA-N 1 3 290.451 3.467 20 10 CGCDHO CC(C)c1ccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c([O-])c1 ZINC001206573150 813359817 /nfs/dbraw/zinc/35/98/17/813359817.db2.gz IRFCGTPRLPWEHG-GOSISDBHSA-N 1 3 290.451 3.467 20 10 CGCDHO C[N@H+](Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCCC[C@H]1N ZINC001236219645 819386646 /nfs/dbraw/zinc/38/66/46/819386646.db2.gz XCVBUINXDAVXFY-HZPDHXFCSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1cccc(C(C)(C)C)c1O)[C@@H]1CCCC[C@H]1N ZINC001236219645 819386650 /nfs/dbraw/zinc/38/66/50/819386650.db2.gz XCVBUINXDAVXFY-HZPDHXFCSA-N 1 3 290.451 3.391 20 10 CGCDHO C[NH2+]C[C@@H](C)CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC001325742115 934925595 /nfs/dbraw/zinc/92/55/95/934925595.db2.gz BOGZNVLPSMBUAH-HZPDHXFCSA-N 1 3 289.467 3.183 20 10 CGCDHO CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185563718 327841092 /nfs/dbraw/zinc/84/10/92/327841092.db2.gz SMZHBPOSUHIJGS-OAHLLOKOSA-N 1 3 290.451 3.473 20 10 CGCDHO C[NH+](C)CCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263690651 524052870 /nfs/dbraw/zinc/05/28/70/524052870.db2.gz OSJSHOZKQZBDRP-UHFFFAOYSA-N 1 3 298.430 3.491 20 10 CGCDHO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC)C2)cc1 ZINC000163234966 620180326 /nfs/dbraw/zinc/18/03/26/620180326.db2.gz LNUIWBKHZZEBIQ-JKSUJKDBSA-N 1 3 289.467 3.135 20 10 CGCDHO CCN(C)c1ccc([C@H](C)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000163234966 620180330 /nfs/dbraw/zinc/18/03/30/620180330.db2.gz LNUIWBKHZZEBIQ-JKSUJKDBSA-N 1 3 289.467 3.135 20 10 CGCDHO CCN(C)c1ccc([C@H](C)NC[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000163234966 620180334 /nfs/dbraw/zinc/18/03/34/620180334.db2.gz LNUIWBKHZZEBIQ-JKSUJKDBSA-N 1 3 289.467 3.135 20 10 CGCDHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)c1ccc(N(C)C)cc1 ZINC000163264526 620210479 /nfs/dbraw/zinc/21/04/79/620210479.db2.gz CBBSQMSMCWQQHP-YJBOKZPZSA-N 1 3 289.467 3.135 20 10 CGCDHO CCN(CC)c1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000817888239 632229656 /nfs/dbraw/zinc/22/96/56/632229656.db2.gz KAVHLMLPZBKFBK-YJBOKZPZSA-N 1 3 289.467 3.011 20 10 CGCDHO C[C@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(N(C)C)cc1 ZINC000817955091 632250440 /nfs/dbraw/zinc/25/04/40/632250440.db2.gz QCWVPTPARIIKHV-KBXCAEBGSA-N 1 3 283.419 3.103 20 10 CGCDHO C[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817976996 632268530 /nfs/dbraw/zinc/26/85/30/632268530.db2.gz YVKANSHGNGEWKJ-DMDPSCGWSA-N 1 3 280.387 3.187 20 10 CGCDHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817978088 632269269 /nfs/dbraw/zinc/26/92/69/632269269.db2.gz VTMHZRXCHDPOBH-MCIONIFRSA-N 1 3 293.430 3.202 20 10 CGCDHO CC[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1[O-] ZINC000873235017 634295572 /nfs/dbraw/zinc/29/55/72/634295572.db2.gz JWZDZPXIHOHLIC-AEFFLSMTSA-N 1 3 298.430 3.393 20 10 CGCDHO CC[C@@H]1CN(Cc2ccc(N(CC)CC)cc2)CC[C@H]1[NH3+] ZINC000843053408 635551774 /nfs/dbraw/zinc/55/17/74/635551774.db2.gz LQPAAAMTJDSILW-SJLPKXTDSA-N 1 3 289.467 3.092 20 10 CGCDHO C[C@H]1C[C@H]([NH2+]CCCCCC[NH3+])c2c1c(F)ccc2[O-] ZINC000843341119 635648898 /nfs/dbraw/zinc/64/88/98/635648898.db2.gz GXFDMEKYAOPQGE-AAEUAGOBSA-N 1 3 280.387 3.188 20 10 CGCDHO CC[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(N(C)C)cc1 ZINC000854222689 638025943 /nfs/dbraw/zinc/02/59/43/638025943.db2.gz KJTIULGNTQXMKU-MRXNPFEDSA-N 1 3 275.440 3.065 20 10 CGCDHO CC(C)(C)c1ccc(C[N@@H+]2CCCC[C@@H](N)C2)c(O)c1 ZINC001205938364 813140760 /nfs/dbraw/zinc/14/07/60/813140760.db2.gz GVQHEBMHFYJDHN-OAHLLOKOSA-N 1 3 276.424 3.003 20 10 CGCDHO CC(C)(C)c1ccc(C[N@H+]2CCCC[C@@H](N)C2)c(O)c1 ZINC001205938364 813140764 /nfs/dbraw/zinc/14/07/64/813140764.db2.gz GVQHEBMHFYJDHN-OAHLLOKOSA-N 1 3 276.424 3.003 20 10 CGCDHO CCN(CC)c1ccc(C[N@H+](C)C2(C)CCNCC2)cc1 ZINC001236224829 819390913 /nfs/dbraw/zinc/39/09/13/819390913.db2.gz XMGSOVGCAORISF-UHFFFAOYSA-N 1 3 289.467 3.107 20 10 CGCDHO CCN(CC)c1ccc(C[N@@H+](C)C2(C)CCNCC2)cc1 ZINC001236224829 819390919 /nfs/dbraw/zinc/39/09/19/819390919.db2.gz XMGSOVGCAORISF-UHFFFAOYSA-N 1 3 289.467 3.107 20 10 CGCDHO CCN(CC)c1ccc(CN(C)C2(C)CC[NH2+]CC2)cc1 ZINC001236224829 819390923 /nfs/dbraw/zinc/39/09/23/819390923.db2.gz XMGSOVGCAORISF-UHFFFAOYSA-N 1 3 289.467 3.107 20 10 CGCDHO CCN(Cc1ccc(C(C)(C)C)cc1O)C[C@H]1CC[NH2+]C1 ZINC001236410702 819458041 /nfs/dbraw/zinc/45/80/41/819458041.db2.gz JJASADMWJJUMGB-AWEZNQCLSA-N 1 3 290.451 3.121 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001167841950 927030940 /nfs/dbraw/zinc/03/09/40/927030940.db2.gz VEGXLHDSVPIORO-OAHLLOKOSA-N 1 3 290.451 3.261 20 10 CGCDHO CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001167841950 927030963 /nfs/dbraw/zinc/03/09/63/927030963.db2.gz VEGXLHDSVPIORO-OAHLLOKOSA-N 1 3 290.451 3.261 20 10 CGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCCC[NH2+]C(C)C ZINC001325745631 934927609 /nfs/dbraw/zinc/92/76/09/934927609.db2.gz YVLWQXLDFNXDKL-KGLIPLIRSA-N 1 3 276.424 3.227 20 10 CGCDHO Cc1cccc(CNCCC[N@H+]2CCCC[C@H]2C)c1O ZINC000158079122 524432755 /nfs/dbraw/zinc/43/27/55/524432755.db2.gz HLYILNJJYWIZNY-OAHLLOKOSA-N 1 3 276.424 3.055 20 10 CGCDHO Cc1cccc(CNCCC[N@@H+]2CCCC[C@H]2C)c1O ZINC000158079122 524432761 /nfs/dbraw/zinc/43/27/61/524432761.db2.gz HLYILNJJYWIZNY-OAHLLOKOSA-N 1 3 276.424 3.055 20 10 CGCDHO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c([O-])c1 ZINC000817986356 632274839 /nfs/dbraw/zinc/27/48/39/632274839.db2.gz LGPXKZACKBPGEH-CAOSSQGBSA-N 1 3 288.435 3.048 20 10 CGCDHO Cc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)c1 ZINC000876769936 634897057 /nfs/dbraw/zinc/89/70/57/634897057.db2.gz DKHNZJCOQDXEKY-INIZCTEOSA-N 1 3 288.435 3.008 20 10 CGCDHO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1[O-] ZINC001205651909 813041335 /nfs/dbraw/zinc/04/13/35/813041335.db2.gz LPWTXCRSQWCKDV-AAEUAGOBSA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1[O-] ZINC001205651909 813041342 /nfs/dbraw/zinc/04/13/42/813041342.db2.gz LPWTXCRSQWCKDV-AAEUAGOBSA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1cc(CN2CCC[C@H](C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001235674352 819135097 /nfs/dbraw/zinc/13/50/97/819135097.db2.gz SFLRSADWUDRQAY-QGZVFWFLSA-N 1 3 297.446 3.265 20 10 CGCDHO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1C ZINC000363846383 382258623 /nfs/dbraw/zinc/25/86/23/382258623.db2.gz CHXRLYXXLRSQNT-XHSDSOJGSA-N 1 3 288.435 3.286 20 10 CGCDHO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1C ZINC000363846383 382258627 /nfs/dbraw/zinc/25/86/27/382258627.db2.gz CHXRLYXXLRSQNT-XHSDSOJGSA-N 1 3 288.435 3.286 20 10 CGCDHO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000185650651 625405157 /nfs/dbraw/zinc/40/51/57/625405157.db2.gz HBAREIDQNYAISW-ZNMIVQPWSA-N 1 3 276.424 3.224 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1[O-] ZINC000808709388 630667598 /nfs/dbraw/zinc/66/75/98/630667598.db2.gz FOZBGMLSNGHIRE-LBPRGKRZSA-N 1 3 294.826 3.267 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1[O-] ZINC000808709388 630667602 /nfs/dbraw/zinc/66/76/02/630667602.db2.gz FOZBGMLSNGHIRE-LBPRGKRZSA-N 1 3 294.826 3.267 20 10 CGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1[O-] ZINC000817946531 632243477 /nfs/dbraw/zinc/24/34/77/632243477.db2.gz YSGWGJUSLLKMRU-NEPJUHHUSA-N 1 3 282.815 3.004 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c([O-])c1 ZINC000817947965 632244471 /nfs/dbraw/zinc/24/44/71/632244471.db2.gz HIRUZCMARXCHTH-CQSZACIVSA-N 1 3 284.403 3.053 20 10 CGCDHO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817951703 632248106 /nfs/dbraw/zinc/24/81/06/632248106.db2.gz GDFIDDIMFJSGIG-UONOGXRCSA-N 1 3 293.430 3.204 20 10 CGCDHO CC[C@@H](N[C@@H](C[NH3+])CC(C)C)c1ccc(N(C)C)cc1 ZINC000817958178 632253848 /nfs/dbraw/zinc/25/38/48/632253848.db2.gz IMYVHLFOJMTCJF-NVXWUHKLSA-N 1 3 277.456 3.167 20 10 CGCDHO C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000817963230 632258899 /nfs/dbraw/zinc/25/88/99/632258899.db2.gz PPBDUOGCCXLSNO-VXGBXAGGSA-N 1 3 288.366 3.402 20 10 CGCDHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(C)cc1[O-] ZINC000817987527 632275667 /nfs/dbraw/zinc/27/56/67/632275667.db2.gz UBTWHQVRSPYDET-ANQUJSFKSA-N 1 3 288.435 3.129 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)c([O-])c1 ZINC000873234780 634295752 /nfs/dbraw/zinc/29/57/52/634295752.db2.gz HVHLVFWKDJNTGJ-WBVHZDCISA-N 1 3 298.430 3.311 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)c([O-])c1 ZINC000873238966 634296836 /nfs/dbraw/zinc/29/68/36/634296836.db2.gz KNSBKSCFQXTLOV-RBSFLKMASA-N 1 3 276.424 3.177 20 10 CGCDHO Cc1cc(Cl)cc(CN2CCCC[C@@H]2CC[NH3+])c1O ZINC000843124293 635560397 /nfs/dbraw/zinc/56/03/97/635560397.db2.gz XKOMXBMHYAIKIZ-CQSZACIVSA-N 1 3 282.815 3.057 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000844902867 635981011 /nfs/dbraw/zinc/98/10/11/635981011.db2.gz VCGYXRKQJQGHBT-RDTXWAMCSA-N 1 3 289.467 3.010 20 10 CGCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000844902867 635981014 /nfs/dbraw/zinc/98/10/14/635981014.db2.gz VCGYXRKQJQGHBT-RDTXWAMCSA-N 1 3 289.467 3.010 20 10 CGCDHO C[C@H]1C[C@@H]([NH2+]CCC2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000844925549 635986125 /nfs/dbraw/zinc/98/61/25/635986125.db2.gz ROTIDFFWQUTLKX-SMDDNHRTSA-N 1 3 292.398 3.059 20 10 CGCDHO CC[C@H](c1ccc(N(C)C)cc1)N1CCC([NH3+])(CC)CC1 ZINC000925757270 638599336 /nfs/dbraw/zinc/59/93/36/638599336.db2.gz SRXVNGXZRYJKME-QGZVFWFLSA-N 1 3 289.467 3.407 20 10 CGCDHO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1[O-] ZINC000715559737 800138370 /nfs/dbraw/zinc/13/83/70/800138370.db2.gz WNYYOUCBBAMWLF-CBCUQQMYSA-N 1 3 276.424 3.306 20 10 CGCDHO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1[O-] ZINC000715559739 800138626 /nfs/dbraw/zinc/13/86/26/800138626.db2.gz WNYYOUCBBAMWLF-TUBUQKNSSA-N 1 3 276.424 3.306 20 10 CGCDHO CC[C@@H]1C[C@@H](N(CC)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001246919248 804601135 /nfs/dbraw/zinc/60/11/35/804601135.db2.gz GIVKUFBEMPDRFP-AEFFLSMTSA-N 1 3 289.467 3.105 20 10 CGCDHO CN(C)CCC[N@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC001233283813 818566205 /nfs/dbraw/zinc/56/62/05/818566205.db2.gz XBCFRHBMYVDNLN-UHFFFAOYSA-N 1 3 278.440 3.073 20 10 CGCDHO CN(C)CCC[N@@H+](C)Cc1cc(C(C)(C)C)ccc1O ZINC001233283813 818566210 /nfs/dbraw/zinc/56/62/10/818566210.db2.gz XBCFRHBMYVDNLN-UHFFFAOYSA-N 1 3 278.440 3.073 20 10 CGCDHO CCN(CC)c1ccc(CN2CCC[C@](C)(C[NH3+])C2)cc1 ZINC001237055296 819655636 /nfs/dbraw/zinc/65/56/36/819655636.db2.gz CHSPYMZQLJUPMF-GOSISDBHSA-N 1 3 289.467 3.094 20 10 CGCDHO CC[C@H](N[C@@H](C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000268981137 378165031 /nfs/dbraw/zinc/16/50/31/378165031.db2.gz HSEFTLWBKCTOLC-YOEHRIQHSA-N 1 3 277.456 3.134 20 10 CGCDHO CN1CC=C(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271837640 378510181 /nfs/dbraw/zinc/51/01/81/378510181.db2.gz QCKINGQFZNGJJS-UHFFFAOYSA-N 1 3 299.462 3.028 20 10 CGCDHO Cc1ccc([O-])c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000093688659 392239365 /nfs/dbraw/zinc/23/93/65/392239365.db2.gz PPDUMWYPDUNWMD-UHFFFAOYSA-N 1 3 290.451 3.254 20 10 CGCDHO CCN(CC)c1ccc(CN[C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000817888238 632228952 /nfs/dbraw/zinc/22/89/52/632228952.db2.gz KAVHLMLPZBKFBK-QAPCUYQASA-N 1 3 289.467 3.011 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CC2(N)CCCCC2)c(O)c1C ZINC000817939049 632239637 /nfs/dbraw/zinc/23/96/37/632239637.db2.gz YCMQNYRVEPOZBW-CQSZACIVSA-N 1 3 276.424 3.321 20 10 CGCDHO CC(C)[NH2+]CCCN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817953757 632248836 /nfs/dbraw/zinc/24/88/36/632248836.db2.gz QOGZMAFDKSIMBJ-AWEZNQCLSA-N 1 3 290.451 3.310 20 10 CGCDHO [NH3+]CCC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000817983833 632273127 /nfs/dbraw/zinc/27/31/27/632273127.db2.gz RNBIOFSUASXUBQ-IAGOWNOFSA-N 1 3 296.414 3.449 20 10 CGCDHO Cc1cccc([O-])c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000876577065 634861546 /nfs/dbraw/zinc/86/15/46/634861546.db2.gz WCAIPJALMLZHTN-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO CC[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccccc1[O-] ZINC000844922737 635985367 /nfs/dbraw/zinc/98/53/67/635985367.db2.gz DMLKQZUWFNJDIC-MRXNPFEDSA-N 1 3 288.366 3.231 20 10 CGCDHO CCc1cccc(CNCC[C@H](C)[NH+]2CCCCC2)c1O ZINC000848901861 636682930 /nfs/dbraw/zinc/68/29/30/636682930.db2.gz FGEJQEDHZJDHFO-HNNXBMFYSA-N 1 3 290.451 3.309 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c([O-])c1 ZINC000925841547 638630091 /nfs/dbraw/zinc/63/00/91/638630091.db2.gz QBHXSQWFLOCGOU-QGPMSJSTSA-N 1 3 288.435 3.192 20 10 CGCDHO CCC[NH+]1CCC(N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000037236861 798863700 /nfs/dbraw/zinc/86/37/00/798863700.db2.gz JEGGUDAIMAZDTE-HNNXBMFYSA-N 1 3 289.467 3.278 20 10 CGCDHO Cc1cc(C[N@@H+]2CCC[C@@H]2CN)c(C)n1-c1ccccc1 ZINC001236245138 819403187 /nfs/dbraw/zinc/40/31/87/819403187.db2.gz JSCIMUPMPGEKHA-GOSISDBHSA-N 1 3 283.419 3.017 20 10 CGCDHO Cc1cc(C[N@H+]2CCC[C@@H]2CN)c(C)n1-c1ccccc1 ZINC001236245138 819403189 /nfs/dbraw/zinc/40/31/89/819403189.db2.gz JSCIMUPMPGEKHA-GOSISDBHSA-N 1 3 283.419 3.017 20 10 CGCDHO CCCN(Cc1c2ccccc2n(C)c1C)C[C@H]1CC[NH2+]C1 ZINC001236835839 819614475 /nfs/dbraw/zinc/61/44/75/819614475.db2.gz PSRKNGCBAWIZQU-INIZCTEOSA-N 1 3 299.462 3.308 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c([O-])c1C ZINC000273421432 378746571 /nfs/dbraw/zinc/74/65/71/378746571.db2.gz JMJTUUMNZRQNJX-OAHLLOKOSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1C ZINC000363846365 382259722 /nfs/dbraw/zinc/25/97/22/382259722.db2.gz CHXRLYXXLRSQNT-ARFHVFGLSA-N 1 3 288.435 3.286 20 10 CGCDHO Cc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(O)c1C ZINC000363846365 382259727 /nfs/dbraw/zinc/25/97/27/382259727.db2.gz CHXRLYXXLRSQNT-ARFHVFGLSA-N 1 3 288.435 3.286 20 10 CGCDHO CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(C)cc1[O-] ZINC000280036754 522819205 /nfs/dbraw/zinc/81/92/05/522819205.db2.gz INEKAEWTNQIGTA-MRXNPFEDSA-N 1 3 290.451 3.473 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c([O-])c1 ZINC000284858726 524329104 /nfs/dbraw/zinc/32/91/04/524329104.db2.gz ALGKNPGTVOLMNX-OAHLLOKOSA-N 1 3 290.451 3.392 20 10 CGCDHO CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccccc1[O-] ZINC000044517442 618614991 /nfs/dbraw/zinc/61/49/91/618614991.db2.gz DBVMNOHREYZNGE-INIZCTEOSA-N 1 3 276.424 3.165 20 10 CGCDHO CC[C@@H]([NH2+]C[C@H]1CCN(CC)C1)c1ccc(N(C)C)cc1 ZINC000163264911 620210521 /nfs/dbraw/zinc/21/05/21/620210521.db2.gz CBBSQMSMCWQQHP-CRAIPNDOSA-N 1 3 289.467 3.135 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c([O-])c1 ZINC000817947964 632244733 /nfs/dbraw/zinc/24/47/33/632244733.db2.gz HIRUZCMARXCHTH-AWEZNQCLSA-N 1 3 284.403 3.053 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000817947766 632244785 /nfs/dbraw/zinc/24/47/85/632244785.db2.gz QLBZQGKTHNLCIY-ZMSDIMECSA-N 1 3 289.467 3.181 20 10 CGCDHO C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000817963595 632258697 /nfs/dbraw/zinc/25/86/97/632258697.db2.gz UXIQITFMJUOAMS-OLZOCXBDSA-N 1 3 270.376 3.263 20 10 CGCDHO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c([O-])c1 ZINC000817976267 632267528 /nfs/dbraw/zinc/26/75/28/632267528.db2.gz WROIEHJDBIGERO-RBSFLKMASA-N 1 3 276.424 3.116 20 10 CGCDHO C[NH+](C)C1(C)CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000866516552 633171259 /nfs/dbraw/zinc/17/12/59/633171259.db2.gz BXTNDQFEJZQMJQ-CSLYMUCUSA-N 1 3 288.435 3.232 20 10 CGCDHO CCN(CC)c1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000841034991 635111493 /nfs/dbraw/zinc/11/14/93/635111493.db2.gz YHVWHVMKVJCBJE-RDJZCZTQSA-N 1 3 289.467 3.011 20 10 CGCDHO CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000248546938 640768164 /nfs/dbraw/zinc/76/81/64/640768164.db2.gz FYPMGBAXIDCJPU-GOEBONIOSA-N 1 3 276.424 3.165 20 10 CGCDHO CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000248546938 640768169 /nfs/dbraw/zinc/76/81/69/640768169.db2.gz FYPMGBAXIDCJPU-GOEBONIOSA-N 1 3 276.424 3.165 20 10 CGCDHO Cc1ccc(O)c(CNCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000071406014 525350842 /nfs/dbraw/zinc/35/08/42/525350842.db2.gz ICZQFJPQIHLKTN-OAHLLOKOSA-N 1 3 276.424 3.055 20 10 CGCDHO Cc1ccc(O)c(CNCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000071406014 525350846 /nfs/dbraw/zinc/35/08/46/525350846.db2.gz ICZQFJPQIHLKTN-OAHLLOKOSA-N 1 3 276.424 3.055 20 10 CGCDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(N(C)C)cc1 ZINC000161039363 618236989 /nfs/dbraw/zinc/23/69/89/618236989.db2.gz REKWXJJEGQCISP-ZVZYQTTQSA-N 1 3 289.467 3.276 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000766166431 627301055 /nfs/dbraw/zinc/30/10/55/627301055.db2.gz QWMTWXOTPBQQRH-VYDXJSESSA-N 1 3 289.467 3.276 20 10 CGCDHO CCN(C)c1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000766166431 627301059 /nfs/dbraw/zinc/30/10/59/627301059.db2.gz QWMTWXOTPBQQRH-VYDXJSESSA-N 1 3 289.467 3.276 20 10 CGCDHO Cc1cc(Cl)cc(C[NH+]2CCC(C[NH+](C)C)CC2)c1[O-] ZINC000775651677 628119785 /nfs/dbraw/zinc/11/97/85/628119785.db2.gz AXKDGZRGNWBKID-UHFFFAOYSA-N 1 3 296.842 3.128 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1[O-] ZINC000817947487 632244385 /nfs/dbraw/zinc/24/43/85/632244385.db2.gz OKFOHKNRLBAWNE-RWMBFGLXSA-N 1 3 296.842 3.393 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000817976933 632268670 /nfs/dbraw/zinc/26/86/70/632268670.db2.gz XEGYSERRECFTQD-FZMZJTMJSA-N 1 3 294.826 3.147 20 10 CGCDHO C[C@@H]1C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2c1c(F)ccc2[O-] ZINC000817980608 632271625 /nfs/dbraw/zinc/27/16/25/632271625.db2.gz LMBZWSSYWCFBCK-YRGRVCCFSA-N 1 3 292.398 3.201 20 10 CGCDHO CC[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(C)cc1[O-] ZINC000817981868 632272013 /nfs/dbraw/zinc/27/20/13/632272013.db2.gz WAWDCLRHBXRQAC-GDBMZVCRSA-N 1 3 276.424 3.274 20 10 CGCDHO C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1[O-] ZINC000873235610 634295823 /nfs/dbraw/zinc/29/58/23/634295823.db2.gz QLCTUQNYWYDTHH-GOEBONIOSA-N 1 3 284.403 3.003 20 10 CGCDHO CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[O-] ZINC000873245696 634299189 /nfs/dbraw/zinc/29/91/89/634299189.db2.gz TXGQXZHCIUWHAT-DZGCQCFKSA-N 1 3 276.424 3.211 20 10 CGCDHO C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[O-] ZINC000877758078 635187112 /nfs/dbraw/zinc/18/71/12/635187112.db2.gz HXGHNAQXYWBDAW-AWEZNQCLSA-N 1 3 297.402 3.107 20 10 CGCDHO CC[C@H]1CN(Cc2ccc(N(CC)CC)cc2)CC[C@@H]1[NH3+] ZINC000843053409 635551292 /nfs/dbraw/zinc/55/12/92/635551292.db2.gz LQPAAAMTJDSILW-WMZOPIPTSA-N 1 3 289.467 3.092 20 10 CGCDHO CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000854230562 638028349 /nfs/dbraw/zinc/02/83/49/638028349.db2.gz UPRQUMWKLAXMEF-RAIGVLPGSA-N 1 3 280.387 3.043 20 10 CGCDHO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC001276078924 808987268 /nfs/dbraw/zinc/98/72/68/808987268.db2.gz ZKVVVBSMLHEUCX-MQVJKMGUSA-N 1 3 296.414 3.260 20 10 CGCDHO C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC001276078924 808987273 /nfs/dbraw/zinc/98/72/73/808987273.db2.gz ZKVVVBSMLHEUCX-MQVJKMGUSA-N 1 3 296.414 3.260 20 10 CGCDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@H](N)C2)c2ccccc21 ZINC001205933023 813139112 /nfs/dbraw/zinc/13/91/12/813139112.db2.gz VVHYVDDGTYZLTL-INIZCTEOSA-N 1 3 297.446 3.219 20 10 CGCDHO CN(C)c1ccc(C[N@H+]2CCCC[C@H](N)C2)c2ccccc21 ZINC001205933023 813139115 /nfs/dbraw/zinc/13/91/15/813139115.db2.gz VVHYVDDGTYZLTL-INIZCTEOSA-N 1 3 297.446 3.219 20 10 CGCDHO Cc1ccc(C)n1-c1ccc(CN2CCC[C@H](C[NH3+])C2)cc1 ZINC001235675295 819134657 /nfs/dbraw/zinc/13/46/57/819134657.db2.gz VJGSFBYUPWTZHJ-GOSISDBHSA-N 1 3 297.446 3.265 20 10 CGCDHO C[C@H]1CC[C@@H](N)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892265 819201576 /nfs/dbraw/zinc/20/15/76/819201576.db2.gz OECGTSUYBSOHMD-GOEBONIOSA-N 1 3 297.446 3.217 20 10 CGCDHO C[C@H]1CC[C@@H](N)C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892265 819201578 /nfs/dbraw/zinc/20/15/78/819201578.db2.gz OECGTSUYBSOHMD-GOEBONIOSA-N 1 3 297.446 3.217 20 10 CGCDHO C[C@H]1CC[C@H](N)C[N@@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892268 819202584 /nfs/dbraw/zinc/20/25/84/819202584.db2.gz OECGTSUYBSOHMD-HOCLYGCPSA-N 1 3 297.446 3.217 20 10 CGCDHO C[C@H]1CC[C@H](N)C[N@H+]1Cc1ccc(N(C)C)c2ccccc12 ZINC001235892268 819202589 /nfs/dbraw/zinc/20/25/89/819202589.db2.gz OECGTSUYBSOHMD-HOCLYGCPSA-N 1 3 297.446 3.217 20 10 CGCDHO [O-]c1cccc2c1[C@@H]([NH2+]CCCCC[NH+]1CCCC1)CC2 ZINC000297335106 263203590 /nfs/dbraw/zinc/20/35/90/263203590.db2.gz OFWJDUHNWZKPJA-INIZCTEOSA-N 1 3 288.435 3.235 20 10 CGCDHO COc1ccc(C[NH2+]C2CCN(C(C)(C)C)CC2)cc1C ZINC000037786465 524069380 /nfs/dbraw/zinc/06/93/80/524069380.db2.gz IZZFVKITGKABLR-UHFFFAOYSA-N 1 3 290.451 3.356 20 10 CGCDHO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC)C2)cc1 ZINC000163235085 620180454 /nfs/dbraw/zinc/18/04/54/620180454.db2.gz LNUIWBKHZZEBIQ-HOTGVXAUSA-N 1 3 289.467 3.135 20 10 CGCDHO CCN(C)c1ccc([C@H](C)NC[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000163235085 620180457 /nfs/dbraw/zinc/18/04/57/620180457.db2.gz LNUIWBKHZZEBIQ-HOTGVXAUSA-N 1 3 289.467 3.135 20 10 CGCDHO CCN(C)c1ccc([C@H](C)NC[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000163235085 620180459 /nfs/dbraw/zinc/18/04/59/620180459.db2.gz LNUIWBKHZZEBIQ-HOTGVXAUSA-N 1 3 289.467 3.135 20 10 CGCDHO Cc1ccc(O)c([C@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000230658147 623260343 /nfs/dbraw/zinc/26/03/43/623260343.db2.gz MOVFQFDBXSPSCN-AWEZNQCLSA-N 1 3 264.413 3.082 20 10 CGCDHO Cc1ccc(O)c([C@H](C)NCCC[N@H+](C)C(C)C)c1 ZINC000230658147 623260349 /nfs/dbraw/zinc/26/03/49/623260349.db2.gz MOVFQFDBXSPSCN-AWEZNQCLSA-N 1 3 264.413 3.082 20 10 CGCDHO Cc1ccc([C@@H](C)NCCC[N@@H+](C)C(C)C)c(O)c1C ZINC000756398739 626701516 /nfs/dbraw/zinc/70/15/16/626701516.db2.gz YESWGNBFJMMQEI-OAHLLOKOSA-N 1 3 278.440 3.390 20 10 CGCDHO Cc1ccc([C@@H](C)NCCC[N@H+](C)C(C)C)c(O)c1C ZINC000756398739 626701519 /nfs/dbraw/zinc/70/15/19/626701519.db2.gz YESWGNBFJMMQEI-OAHLLOKOSA-N 1 3 278.440 3.390 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CC2(N)CCCCC2)c(O)c1C ZINC000817939048 632239024 /nfs/dbraw/zinc/23/90/24/632239024.db2.gz YCMQNYRVEPOZBW-AWEZNQCLSA-N 1 3 276.424 3.321 20 10 CGCDHO CC[C@@H](NCCC[NH2+]C(C)C)c1ccc(N(C)C)cc1 ZINC000817954253 632249408 /nfs/dbraw/zinc/24/94/08/632249408.db2.gz WMQLXQYEUHKTJZ-QGZVFWFLSA-N 1 3 277.456 3.181 20 10 CGCDHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000817962714 632257407 /nfs/dbraw/zinc/25/74/07/632257407.db2.gz NNUGLADORCASEO-KBPBESRZSA-N 1 3 293.430 3.061 20 10 CGCDHO C[C@@H]([NH2+]CC(C)(C)N)c1ccc(N2CCCCC2)cc1 ZINC000817961145 632257809 /nfs/dbraw/zinc/25/78/09/632257809.db2.gz XSYNPVBGXZXDAY-CQSZACIVSA-N 1 3 275.440 3.065 20 10 CGCDHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000817965211 632260613 /nfs/dbraw/zinc/26/06/13/632260613.db2.gz NVJFXLNQSNBONB-KDOFPFPSSA-N 1 3 287.451 3.065 20 10 CGCDHO C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000817978110 632268810 /nfs/dbraw/zinc/26/88/10/632268810.db2.gz WETIXKIJQPTYIE-KFWWJZLASA-N 1 3 275.440 3.063 20 10 CGCDHO CC[NH+](CC)CC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876577183 634860993 /nfs/dbraw/zinc/86/09/93/634860993.db2.gz XAPBITVPMJWXKV-UHFFFAOYSA-N 1 3 290.451 3.254 20 10 CGCDHO Cc1cccc([O-])c1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000876624793 634870362 /nfs/dbraw/zinc/87/03/62/634870362.db2.gz KGUWFTBKMITJII-UHFFFAOYSA-N 1 3 290.451 3.253 20 10 CGCDHO Cc1cccc([O-])c1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000876624793 634870366 /nfs/dbraw/zinc/87/03/66/634870366.db2.gz KGUWFTBKMITJII-UHFFFAOYSA-N 1 3 290.451 3.253 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000876933165 634930933 /nfs/dbraw/zinc/93/09/33/634930933.db2.gz HJQJQGILKSTJII-MRXNPFEDSA-N 1 3 290.451 3.445 20 10 CGCDHO Cc1cccc([O-])c1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000876933165 634930939 /nfs/dbraw/zinc/93/09/39/634930939.db2.gz HJQJQGILKSTJII-MRXNPFEDSA-N 1 3 290.451 3.445 20 10 CGCDHO CCN(CC)c1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000841057113 635115350 /nfs/dbraw/zinc/11/53/50/635115350.db2.gz IIETUUQDHRWJJZ-HUUCEWRRSA-N 1 3 293.430 3.031 20 10 CGCDHO CCN(CC)c1ccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000843050917 635549037 /nfs/dbraw/zinc/54/90/37/635549037.db2.gz BCAYKTFQHRYGMI-RDJZCZTQSA-N 1 3 289.467 3.092 20 10 CGCDHO C[C@@H]1C[C@H]([NH2+]CCCCCC[NH3+])c2c1c(F)ccc2[O-] ZINC000843341125 635648857 /nfs/dbraw/zinc/64/88/57/635648857.db2.gz GXFDMEKYAOPQGE-YPMHNXCESA-N 1 3 280.387 3.188 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c([O-])c1 ZINC000843343855 635651446 /nfs/dbraw/zinc/65/14/46/635651446.db2.gz IINNZRBXCCTRAE-ZDUSSCGKSA-N 1 3 270.376 3.010 20 10 CGCDHO CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccccc1[O-] ZINC000715585149 800140021 /nfs/dbraw/zinc/14/00/21/800140021.db2.gz SBKMAMWGAYDXBJ-XUJLQICISA-N 1 3 276.424 3.306 20 10 CGCDHO CC(C)[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC001140055839 804362703 /nfs/dbraw/zinc/36/27/03/804362703.db2.gz XJKZIGFLKFWQHZ-UHFFFAOYSA-N 1 3 294.414 3.084 20 10 CGCDHO CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC001140055839 804362710 /nfs/dbraw/zinc/36/27/10/804362710.db2.gz XJKZIGFLKFWQHZ-UHFFFAOYSA-N 1 3 294.414 3.084 20 10 CGCDHO C[N@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CCCC[C@@H]1N ZINC001236220303 819386517 /nfs/dbraw/zinc/38/65/17/819386517.db2.gz YXABMLBQQXPMJR-JKSUJKDBSA-N 1 3 290.451 3.391 20 10 CGCDHO C[N@@H+](Cc1ccc(C(C)(C)C)cc1O)[C@@H]1CCCC[C@@H]1N ZINC001236220303 819386521 /nfs/dbraw/zinc/38/65/21/819386521.db2.gz YXABMLBQQXPMJR-JKSUJKDBSA-N 1 3 290.451 3.391 20 10 CGCDHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N(C)C)cc1 ZINC000295866326 372941975 /nfs/dbraw/zinc/94/19/75/372941975.db2.gz FUZOZNOMSOANAN-PNFOFYCQSA-N 1 3 287.451 3.028 20 10 CGCDHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N(C)C)cc1 ZINC000295866326 372941983 /nfs/dbraw/zinc/94/19/83/372941983.db2.gz FUZOZNOMSOANAN-PNFOFYCQSA-N 1 3 287.451 3.028 20 10 CGCDHO C[C@H]([NH2+]CCCC[NH+](C)C)c1cc2c(cc1[O-])CCCC2 ZINC000273367578 378741876 /nfs/dbraw/zinc/74/18/76/378741876.db2.gz BTGAGNSAJVSMLZ-AWEZNQCLSA-N 1 3 290.451 3.263 20 10 CGCDHO Cc1cc(C)c([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c([O-])c1 ZINC000283939723 380106767 /nfs/dbraw/zinc/10/67/67/380106767.db2.gz FHYKBKVTWJQZPR-OAHLLOKOSA-N 1 3 290.451 3.392 20 10 CGCDHO Cc1ccc([O-])c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134037223 334078163 /nfs/dbraw/zinc/07/81/63/334078163.db2.gz RXLAZOUGTFNQPS-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000248488996 618167268 /nfs/dbraw/zinc/16/72/68/618167268.db2.gz HBAREIDQNYAISW-SOUVJXGZSA-N 1 3 276.424 3.224 20 10 CGCDHO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(C)cc(C)c2O)C1 ZINC000164422924 622834703 /nfs/dbraw/zinc/83/47/03/622834703.db2.gz DHZBOCXULFSBAD-INIZCTEOSA-N 1 3 290.451 3.173 20 10 CGCDHO Cc1ccc([C@H](C)NCCC[N@@H+](C)C(C)C)c(O)c1C ZINC000756398738 626701625 /nfs/dbraw/zinc/70/16/25/626701625.db2.gz YESWGNBFJMMQEI-HNNXBMFYSA-N 1 3 278.440 3.390 20 10 CGCDHO Cc1ccc([C@H](C)NCCC[N@H+](C)C(C)C)c(O)c1C ZINC000756398738 626701627 /nfs/dbraw/zinc/70/16/27/626701627.db2.gz YESWGNBFJMMQEI-HNNXBMFYSA-N 1 3 278.440 3.390 20 10 CGCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469571 627556587 /nfs/dbraw/zinc/55/65/87/627556587.db2.gz AEVNMMGIVDYEKF-YJBOKZPZSA-N 1 3 289.467 3.057 20 10 CGCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769469571 627556588 /nfs/dbraw/zinc/55/65/88/627556588.db2.gz AEVNMMGIVDYEKF-YJBOKZPZSA-N 1 3 289.467 3.057 20 10 CGCDHO C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000817962875 632258875 /nfs/dbraw/zinc/25/88/75/632258875.db2.gz MLDHJEANVJLDQR-MLGOLLRUSA-N 1 3 282.387 3.189 20 10 CGCDHO C[C@@H]1C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2c1c(F)ccc2[O-] ZINC000817980602 632271612 /nfs/dbraw/zinc/27/16/12/632271612.db2.gz LMBZWSSYWCFBCK-DYEKYZERSA-N 1 3 292.398 3.201 20 10 CGCDHO Cc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(O)c1 ZINC000876756239 634892422 /nfs/dbraw/zinc/89/24/22/634892422.db2.gz PJSNSZHHRMMZQJ-QGZVFWFLSA-N 1 3 288.435 3.151 20 10 CGCDHO Cc1cccc([O-])c1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000876769015 634896560 /nfs/dbraw/zinc/89/65/60/634896560.db2.gz PWQJEKDUXJUYTN-UHFFFAOYSA-N 1 3 290.451 3.254 20 10 CGCDHO CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(C)cc1[O-] ZINC000848559694 636605805 /nfs/dbraw/zinc/60/58/05/636605805.db2.gz XXJSHHSIYCXHOD-IJEWVQPXSA-N 1 3 276.424 3.082 20 10 CGCDHO CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000854230561 638028673 /nfs/dbraw/zinc/02/86/73/638028673.db2.gz UPRQUMWKLAXMEF-CYZMBNFOSA-N 1 3 280.387 3.043 20 10 CGCDHO CCN1CCN(c2ccc(C[N@H+](C)C(C)(C)C)cc2)CC1 ZINC001140304937 804408932 /nfs/dbraw/zinc/40/89/32/804408932.db2.gz HUVYEKODIVQBSF-UHFFFAOYSA-N 1 3 289.467 3.059 20 10 CGCDHO CCN1CCN(c2ccc(C[N@@H+](C)C(C)(C)C)cc2)CC1 ZINC001140304937 804408934 /nfs/dbraw/zinc/40/89/34/804408934.db2.gz HUVYEKODIVQBSF-UHFFFAOYSA-N 1 3 289.467 3.059 20 10 CGCDHO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC001206021721 813168679 /nfs/dbraw/zinc/16/86/79/813168679.db2.gz AULKEEXDAFCRNQ-OLZOCXBDSA-N 1 3 296.842 3.161 20 10 CGCDHO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC001206021721 813168684 /nfs/dbraw/zinc/16/86/84/813168684.db2.gz AULKEEXDAFCRNQ-OLZOCXBDSA-N 1 3 296.842 3.161 20 10 CGCDHO C[C@@H]1C[C@@H](N)C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044551 819282271 /nfs/dbraw/zinc/28/22/71/819282271.db2.gz NSOAVWPIIRBMQO-GDBMZVCRSA-N 1 3 297.446 3.075 20 10 CGCDHO C[C@@H]1C[C@@H](N)C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001236044551 819282276 /nfs/dbraw/zinc/28/22/76/819282276.db2.gz NSOAVWPIIRBMQO-GDBMZVCRSA-N 1 3 297.446 3.075 20 10 CGCDHO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2N)cc1 ZINC001236210475 819371957 /nfs/dbraw/zinc/37/19/57/819371957.db2.gz COSCRFBILVXSII-QZTJIDSGSA-N 1 3 289.467 3.235 20 10 CGCDHO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2N)cc1 ZINC001236210475 819371966 /nfs/dbraw/zinc/37/19/66/819371966.db2.gz COSCRFBILVXSII-QZTJIDSGSA-N 1 3 289.467 3.235 20 10 CGCDHO Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c([O-])c1 ZINC000278386467 525916716 /nfs/dbraw/zinc/91/67/16/525916716.db2.gz FNOSRXDWZGNJRM-AWEZNQCLSA-N 1 3 288.435 3.226 20 10 CGCDHO C[NH+](C)CCCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180205817 624729198 /nfs/dbraw/zinc/72/91/98/624729198.db2.gz WQUKBTSUNQKDQG-UHFFFAOYSA-N 1 3 294.414 3.085 20 10 CGCDHO C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)c2c1c(F)ccc2[O-] ZINC000756501376 626710050 /nfs/dbraw/zinc/71/00/50/626710050.db2.gz CODGJEBLDDIQNE-WCQYABFASA-N 1 3 280.387 3.011 20 10 CGCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469569 627556462 /nfs/dbraw/zinc/55/64/62/627556462.db2.gz AEVNMMGIVDYEKF-QAPCUYQASA-N 1 3 289.467 3.057 20 10 CGCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769469569 627556464 /nfs/dbraw/zinc/55/64/64/627556464.db2.gz AEVNMMGIVDYEKF-QAPCUYQASA-N 1 3 289.467 3.057 20 10 CGCDHO [NH3+]CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817938891 632239648 /nfs/dbraw/zinc/23/96/48/632239648.db2.gz VEUOGCFJNSYWPT-KRWDZBQOSA-N 1 3 284.403 3.005 20 10 CGCDHO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)[C@H]1CCC[NH2+]C1 ZINC000817948075 632244746 /nfs/dbraw/zinc/24/47/46/632244746.db2.gz UIGRISDJUSJAIR-NMKXLXIOSA-N 1 3 292.398 3.057 20 10 CGCDHO C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cc(F)ccc1[O-] ZINC000817963228 632258441 /nfs/dbraw/zinc/25/84/41/632258441.db2.gz PPBDUOGCCXLSNO-NWDGAFQWSA-N 1 3 288.366 3.402 20 10 CGCDHO CC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ccccc1[O-] ZINC000817968757 632261723 /nfs/dbraw/zinc/26/17/23/632261723.db2.gz LVEGPWSNBCBAJD-KRWDZBQOSA-N 1 3 282.387 3.236 20 10 CGCDHO Cc1cccc([O-])c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000877497328 635061343 /nfs/dbraw/zinc/06/13/43/635061343.db2.gz NRIQFKNTQYZXPL-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO Cc1cccc([O-])c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000877497328 635061345 /nfs/dbraw/zinc/06/13/45/635061345.db2.gz NRIQFKNTQYZXPL-UHFFFAOYSA-N 1 3 288.435 3.008 20 10 CGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1[O-] ZINC000844926469 635987015 /nfs/dbraw/zinc/98/70/15/635987015.db2.gz UUKSXGGQPNQITG-LBPRGKRZSA-N 1 3 296.842 3.394 20 10 CGCDHO CCC1([NH3+])CCN([C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000925761291 638601224 /nfs/dbraw/zinc/60/12/24/638601224.db2.gz YTMZQTOVWXGNLE-YPMHNXCESA-N 1 3 292.398 3.283 20 10 CGCDHO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccccc1[O-] ZINC000927039031 638835016 /nfs/dbraw/zinc/83/50/16/638835016.db2.gz SEINSMKREINDPQ-KSTDHSDQSA-N 1 3 288.435 3.450 20 10 CGCDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(N)CCCC1 ZINC001118608948 802589612 /nfs/dbraw/zinc/58/96/12/802589612.db2.gz MUWDPUVRAOJBQY-CHWSQXEVSA-N 1 3 274.408 3.110 20 10 CGCDHO CCN1CCN(c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC001140301120 804408308 /nfs/dbraw/zinc/40/83/08/804408308.db2.gz ZPHPBPVLKMABJM-UHFFFAOYSA-N 1 3 289.467 3.059 20 10 CGCDHO CCN1CCN(c2ccc(C[N@@H+](CC)C(C)C)cc2)CC1 ZINC001140301120 804408313 /nfs/dbraw/zinc/40/83/13/804408313.db2.gz ZPHPBPVLKMABJM-UHFFFAOYSA-N 1 3 289.467 3.059 20 10 CGCDHO CN(Cc1cc(C(C)(C)C)ccc1O)C[C@H]1CCC[NH2+]C1 ZINC001235956238 819243942 /nfs/dbraw/zinc/24/39/42/819243942.db2.gz AYZPXOKSKBGSHY-AWEZNQCLSA-N 1 3 290.451 3.121 20 10 CGCDHO CC[C@H](N)C[N@H+](C)Cc1ccc(N(C)C)c2ccccc12 ZINC001236865727 819626177 /nfs/dbraw/zinc/62/61/77/819626177.db2.gz NAQXCWFMRQVVAG-HNNXBMFYSA-N 1 3 285.435 3.075 20 10 CGCDHO CC[C@H](N)C[N@@H+](C)Cc1ccc(N(C)C)c2ccccc12 ZINC001236865727 819626179 /nfs/dbraw/zinc/62/61/79/819626179.db2.gz NAQXCWFMRQVVAG-HNNXBMFYSA-N 1 3 285.435 3.075 20 10 CGCDHO