smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000090411943 185294973 /nfs/dbraw/zinc/29/49/73/185294973.db2.gz OYGUPNWEKKZFBD-GOEBONIOSA-N 0 3 318.465 2.597 20 10 DFCDHN CCOC(=O)[C@H]1CCCN(Cc2cccc(OCC)c2O)C1 ZINC000092456529 185319512 /nfs/dbraw/zinc/31/95/12/185319512.db2.gz RLQSYJHHDKQMOE-AWEZNQCLSA-N 0 3 307.390 2.566 20 10 DFCDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092734345 185337057 /nfs/dbraw/zinc/33/70/57/185337057.db2.gz UMPSZPYTLJKQQH-AWEZNQCLSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092734345 185337058 /nfs/dbraw/zinc/33/70/58/185337058.db2.gz UMPSZPYTLJKQQH-AWEZNQCLSA-N 0 3 320.433 2.529 20 10 DFCDHN Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)no1 ZINC000092814210 185343436 /nfs/dbraw/zinc/34/34/36/185343436.db2.gz UHMVEACRPHGBOL-AWEZNQCLSA-N 0 3 301.390 2.847 20 10 DFCDHN Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)no1 ZINC000092814210 185343437 /nfs/dbraw/zinc/34/34/37/185343437.db2.gz UHMVEACRPHGBOL-AWEZNQCLSA-N 0 3 301.390 2.847 20 10 DFCDHN CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000283993581 535059170 /nfs/dbraw/zinc/05/91/70/535059170.db2.gz MYZMCLZWEUMBJI-RDJZCZTQSA-N 0 3 307.434 2.780 20 10 DFCDHN CC(C)(C)[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000283993581 535059176 /nfs/dbraw/zinc/05/91/76/535059176.db2.gz MYZMCLZWEUMBJI-RDJZCZTQSA-N 0 3 307.434 2.780 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1[O-] ZINC000079438491 399045284 /nfs/dbraw/zinc/04/52/84/399045284.db2.gz XMWPZNRZKMGPRS-LBPRGKRZSA-N 0 3 317.364 2.837 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1[O-] ZINC000079438491 399045291 /nfs/dbraw/zinc/04/52/91/399045291.db2.gz XMWPZNRZKMGPRS-LBPRGKRZSA-N 0 3 317.364 2.837 20 10 DFCDHN COc1cccc(CN(C)[C@H](CCO)c2ccccc2)c1O ZINC000093442658 193252442 /nfs/dbraw/zinc/25/24/42/193252442.db2.gz CJIUORXWWIMDCH-MRXNPFEDSA-N 0 3 301.386 2.956 20 10 DFCDHN COc1cccc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1[O-] ZINC000093442658 193252443 /nfs/dbraw/zinc/25/24/43/193252443.db2.gz CJIUORXWWIMDCH-MRXNPFEDSA-N 0 3 301.386 2.956 20 10 DFCDHN COc1cccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1[O-] ZINC000093442658 193252445 /nfs/dbraw/zinc/25/24/45/193252445.db2.gz CJIUORXWWIMDCH-MRXNPFEDSA-N 0 3 301.386 2.956 20 10 DFCDHN CCOc1ccc(O)c(CN2CCc3ccccc3[C@H]2CO)c1 ZINC000093455623 193254419 /nfs/dbraw/zinc/25/44/19/193254419.db2.gz MLCWVAQEHFKQCP-GOSISDBHSA-N 0 3 313.397 2.883 20 10 DFCDHN COc1cccc([C@H](C[NH2+]Cc2ccccc2[O-])N(C)C)c1 ZINC000020543005 182229480 /nfs/dbraw/zinc/22/94/80/182229480.db2.gz XUWMHNYVYIRVMU-KRWDZBQOSA-N 0 3 300.402 2.793 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000272486500 130034596 /nfs/dbraw/zinc/03/45/96/130034596.db2.gz DBFGLTNYEJQKLT-WDEREUQCSA-N 0 3 314.223 2.666 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000272486500 130034597 /nfs/dbraw/zinc/03/45/97/130034597.db2.gz DBFGLTNYEJQKLT-WDEREUQCSA-N 0 3 314.223 2.666 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000272877001 130070651 /nfs/dbraw/zinc/07/06/51/130070651.db2.gz PTILTSHSPHQOMX-RHSMWYFYSA-N 0 3 310.397 2.844 20 10 DFCDHN C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273591859 130142294 /nfs/dbraw/zinc/14/22/94/130142294.db2.gz PIQMYVGMGJGUJM-OLZOCXBDSA-N 0 3 300.406 2.602 20 10 DFCDHN Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)n[nH]1 ZINC000275835276 130394904 /nfs/dbraw/zinc/39/49/04/130394904.db2.gz GEOTXYCPDLPSHC-LBPRGKRZSA-N 0 3 318.396 2.882 20 10 DFCDHN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000283840990 131027845 /nfs/dbraw/zinc/02/78/45/131027845.db2.gz BQPVMJDLIAZDGC-MRXNPFEDSA-N 0 3 304.434 2.890 20 10 DFCDHN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000283840990 131027847 /nfs/dbraw/zinc/02/78/47/131027847.db2.gz BQPVMJDLIAZDGC-MRXNPFEDSA-N 0 3 304.434 2.890 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1OC ZINC000283864066 131029687 /nfs/dbraw/zinc/02/96/87/131029687.db2.gz CISULMXAGGOGIX-UKRRQHHQSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1OC ZINC000283864066 131029689 /nfs/dbraw/zinc/02/96/89/131029689.db2.gz CISULMXAGGOGIX-UKRRQHHQSA-N 0 3 307.390 2.553 20 10 DFCDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cccc(C)c1O ZINC000284798149 131111629 /nfs/dbraw/zinc/11/16/29/131111629.db2.gz ZSZIURNVKHPTCX-IXDOHACOSA-N 0 3 305.418 2.717 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)c([O-])c1 ZINC000285023705 131131403 /nfs/dbraw/zinc/13/14/03/131131403.db2.gz HMJMWWKYXFDLFN-HNNXBMFYSA-N 0 3 304.434 2.524 20 10 DFCDHN CCNC(=O)C[C@H]1CCCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000285182162 131145698 /nfs/dbraw/zinc/14/56/98/131145698.db2.gz QFHGJXZERNWETM-OAHLLOKOSA-N 0 3 321.440 2.772 20 10 DFCDHN COC(=O)[C@]12C[N@H+](Cc3cccc(OC)c3[O-])C[C@H]1CCCC2 ZINC000285198686 131146565 /nfs/dbraw/zinc/14/65/65/131146565.db2.gz QTTVENYIOBSBCY-RDTXWAMCSA-N 0 3 319.401 2.566 20 10 DFCDHN COC(=O)[C@]12C[N@@H+](Cc3cccc(OC)c3[O-])C[C@H]1CCCC2 ZINC000285198686 131146566 /nfs/dbraw/zinc/14/65/66/131146566.db2.gz QTTVENYIOBSBCY-RDTXWAMCSA-N 0 3 319.401 2.566 20 10 DFCDHN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccccc1[O-] ZINC000285698710 131193995 /nfs/dbraw/zinc/19/39/95/131193995.db2.gz OTIZIJVHHBGLFK-CQSZACIVSA-N 0 3 311.447 2.790 20 10 DFCDHN CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(F)cc1[O-] ZINC000285848874 131205115 /nfs/dbraw/zinc/20/51/15/131205115.db2.gz XUYBYUYWJFGEDS-KRWDZBQOSA-N 0 3 323.456 2.600 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CCOC1CCC1)C[C@H]1CCCO1 ZINC000287958696 131308396 /nfs/dbraw/zinc/30/83/96/131308396.db2.gz YNQNSIYMIFMDDE-QGZVFWFLSA-N 0 3 305.418 2.942 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CCOC1CCC1)C[C@H]1CCCO1 ZINC000287958696 131308399 /nfs/dbraw/zinc/30/83/99/131308399.db2.gz YNQNSIYMIFMDDE-QGZVFWFLSA-N 0 3 305.418 2.942 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000289181643 131364156 /nfs/dbraw/zinc/36/41/56/131364156.db2.gz AOLCLSFIMWPEJL-ZDUSSCGKSA-N 0 3 321.417 2.955 20 10 DFCDHN CN(C)c1ccc(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000289329268 131374582 /nfs/dbraw/zinc/37/45/82/131374582.db2.gz HLSUTAFIOUDLPS-GOSISDBHSA-N 0 3 321.440 2.581 20 10 DFCDHN CCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(OC)c1O ZINC000289569947 131396892 /nfs/dbraw/zinc/39/68/92/131396892.db2.gz SKPDXKSPQMBSMB-AWEZNQCLSA-N 0 3 322.405 2.501 20 10 DFCDHN CCNC(=O)OC[C@H]1CCCCN1Cc1cccc(OC)c1O ZINC000289569948 131397072 /nfs/dbraw/zinc/39/70/72/131397072.db2.gz SKPDXKSPQMBSMB-CQSZACIVSA-N 0 3 322.405 2.501 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(N3CCCC3)CCOCC1)CC2 ZINC000297913777 132039698 /nfs/dbraw/zinc/03/96/98/132039698.db2.gz WSPGSMZHLROQKC-INIZCTEOSA-N 0 3 316.445 2.614 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@H](C(C)C)C2(CO)CCC2)cc1OC ZINC000292747687 543016613 /nfs/dbraw/zinc/01/66/13/543016613.db2.gz IDAYJMVTHWAORM-QGZVFWFLSA-N 0 3 323.433 2.686 20 10 DFCDHN Cc1ccc(O)c(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000092076070 292164612 /nfs/dbraw/zinc/16/46/12/292164612.db2.gz QOOQKYYOIHDNJM-QGZVFWFLSA-N 0 3 310.397 2.764 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c([O-])c1C ZINC000297381481 227091918 /nfs/dbraw/zinc/09/19/18/227091918.db2.gz RCKYRDFVGRNRJR-HOTGVXAUSA-N 0 3 306.450 2.506 20 10 DFCDHN Cc1ncsc1CNCc1ccc(N2CCOCC2)cc1 ZINC000071212612 425983143 /nfs/dbraw/zinc/98/31/43/425983143.db2.gz SOTPXRRUCLTFFN-UHFFFAOYSA-N 0 3 303.431 2.578 20 10 DFCDHN COc1cccc(C[NH2+]CCn2c(C)nc3ccccc32)c1[O-] ZINC000074336825 426046837 /nfs/dbraw/zinc/04/68/37/426046837.db2.gz CYBCDUHTTUABDO-UHFFFAOYSA-N 0 3 311.385 2.849 20 10 DFCDHN Cc1cc(O)c(CN2CCN(CC3CCOCC3)CC2)cc1C ZINC000172407491 426226064 /nfs/dbraw/zinc/22/60/64/426226064.db2.gz SRLFSRWMFLUSJR-UHFFFAOYSA-N 0 3 318.461 2.553 20 10 DFCDHN CC[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1[O-] ZINC000121106376 426321623 /nfs/dbraw/zinc/32/16/23/426321623.db2.gz VFFIGCZWVHNADD-QGZVFWFLSA-N 0 3 312.413 2.792 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1C ZINC000093011473 426352284 /nfs/dbraw/zinc/35/22/84/426352284.db2.gz POCRSTRHFGSKDG-SFHVURJKSA-N 0 3 318.461 2.696 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1C ZINC000093011473 426352286 /nfs/dbraw/zinc/35/22/86/426352286.db2.gz POCRSTRHFGSKDG-SFHVURJKSA-N 0 3 318.461 2.696 20 10 DFCDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(C)c(C)cc1[O-])CC2 ZINC000093613591 426358480 /nfs/dbraw/zinc/35/84/80/426358480.db2.gz IHCXDCVTWDUKNK-QZTJIDSGSA-N 0 3 319.445 2.761 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@@H]3CCCC[C@@H]31)OCO2 ZINC000176828684 426418452 /nfs/dbraw/zinc/41/84/52/426418452.db2.gz SNTOVOZJLJFOFC-BLLLJJGKSA-N 0 3 307.415 2.981 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@@H]3CCCC[C@@H]31)OCO2 ZINC000176828684 426418455 /nfs/dbraw/zinc/41/84/55/426418455.db2.gz SNTOVOZJLJFOFC-BLLLJJGKSA-N 0 3 307.415 2.981 20 10 DFCDHN Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000176986078 426431248 /nfs/dbraw/zinc/43/12/48/426431248.db2.gz OXUKXSPSUZFKDL-ZDUSSCGKSA-N 0 3 316.376 2.920 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1C ZINC000101904774 426486943 /nfs/dbraw/zinc/48/69/43/426486943.db2.gz MMOUFUFKDJMNPD-INIZCTEOSA-N 0 3 318.461 2.993 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1C ZINC000101904774 426486944 /nfs/dbraw/zinc/48/69/44/426486944.db2.gz MMOUFUFKDJMNPD-INIZCTEOSA-N 0 3 318.461 2.993 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(C)cc1[O-] ZINC000280146915 426506449 /nfs/dbraw/zinc/50/64/49/426506449.db2.gz PYDWLSACSHCOPN-GDBMZVCRSA-N 0 3 321.417 2.663 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@H](CO)C(C)(C)C)c1[O-] ZINC000194636600 426489101 /nfs/dbraw/zinc/48/91/01/426489101.db2.gz GTJRSOAQQONKAZ-GFCCVEGCSA-N 0 3 316.239 2.960 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000186171378 426490719 /nfs/dbraw/zinc/49/07/19/426490719.db2.gz PFVOJQHPSMXQLV-ZIAGYGMSSA-N 0 3 313.401 2.725 20 10 DFCDHN CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CC2 ZINC000186294174 426500799 /nfs/dbraw/zinc/50/07/99/426500799.db2.gz ILKJCEMGFXFQFV-YPMHNXCESA-N 0 3 318.396 2.912 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000280434135 426575848 /nfs/dbraw/zinc/57/58/48/426575848.db2.gz JVGJFYGRTNNLKJ-CQSZACIVSA-N 0 3 321.417 2.561 20 10 DFCDHN CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000224065944 426590935 /nfs/dbraw/zinc/59/09/35/426590935.db2.gz HFFMYSQIBUXALW-AWEZNQCLSA-N 0 3 306.406 2.881 20 10 DFCDHN CN(C)c1ccc(CN(C)[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000280557922 426601136 /nfs/dbraw/zinc/60/11/36/426601136.db2.gz QZSJALLPGAWBLF-SFHVURJKSA-N 0 3 311.429 2.801 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1[O-] ZINC000228671297 426634381 /nfs/dbraw/zinc/63/43/81/426634381.db2.gz RAQIGRAVDJRHKH-KBPBESRZSA-N 0 3 310.825 2.771 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)NCCNC(=O)c2ccco2)cc1 ZINC000178489181 426638288 /nfs/dbraw/zinc/63/82/88/426638288.db2.gz VMVBOZVXFOEBPY-CQSZACIVSA-N 0 3 315.417 2.816 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000289664534 426670481 /nfs/dbraw/zinc/67/04/81/426670481.db2.gz DBAQRMFJAHTAOD-HNNXBMFYSA-N 0 3 321.804 2.747 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1[O-] ZINC000289923553 426677870 /nfs/dbraw/zinc/67/78/70/426677870.db2.gz XQNDJYCIPHMZSX-CQSZACIVSA-N 0 3 303.324 2.980 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1[O-] ZINC000289923553 426677874 /nfs/dbraw/zinc/67/78/74/426677874.db2.gz XQNDJYCIPHMZSX-CQSZACIVSA-N 0 3 303.324 2.980 20 10 DFCDHN COc1cccc(CN[C@H](CN(C)C)c2ccccc2)c1O ZINC000237237082 426689441 /nfs/dbraw/zinc/68/94/41/426689441.db2.gz HDCCECQALCRSAX-MRXNPFEDSA-N 0 3 300.402 2.793 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000290161399 426706400 /nfs/dbraw/zinc/70/64/00/426706400.db2.gz LXKQEWJLMLORBZ-SGTLLEGYSA-N 0 3 317.385 2.621 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCCOC2)c1[O-] ZINC000290207759 426718229 /nfs/dbraw/zinc/71/82/29/426718229.db2.gz QFMSZLDUFDHLSM-GFCCVEGCSA-N 0 3 300.196 2.732 20 10 DFCDHN CCOc1cccc(CN2CCCC[C@H]2COC(=O)NC)c1O ZINC000290225376 426720655 /nfs/dbraw/zinc/72/06/55/426720655.db2.gz SGZYLPWUJNVIQJ-AWEZNQCLSA-N 0 3 322.405 2.501 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000237360851 426692114 /nfs/dbraw/zinc/69/21/14/426692114.db2.gz WXDDPKOSWFPINA-INIZCTEOSA-N 0 3 316.401 2.921 20 10 DFCDHN COc1ccc(O)c(CN[C@@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000290368240 426751174 /nfs/dbraw/zinc/75/11/74/426751174.db2.gz HGJYHJOMTNIXQX-KRWDZBQOSA-N 0 3 318.392 2.932 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+]CC2([S@@](C)=O)CCC2)c1[O-] ZINC000281772240 426762808 /nfs/dbraw/zinc/76/28/08/426762808.db2.gz JSARUDWTEIDHHL-LJQANCHMSA-N 0 3 301.839 2.745 20 10 DFCDHN COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(OC)c1O ZINC000179200783 426766258 /nfs/dbraw/zinc/76/62/58/426766258.db2.gz ACRUJLXHPZRIHU-VHDGCEQUSA-N 0 3 319.401 2.707 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)c1 ZINC000179670925 426813081 /nfs/dbraw/zinc/81/30/81/426813081.db2.gz WWTSMISAFOFKQC-OLZOCXBDSA-N 0 3 303.406 2.893 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC(c3nncn3C)CC2)c1[O-] ZINC000179753609 426816131 /nfs/dbraw/zinc/81/61/31/426816131.db2.gz WDCQRDQQBVQIGB-UHFFFAOYSA-N 0 3 320.824 2.862 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CCSC(F)(F)F)cc1OC ZINC000179786927 426818849 /nfs/dbraw/zinc/81/88/49/426818849.db2.gz QYHJYZFKKWNXDR-UHFFFAOYSA-N 0 3 311.325 2.752 20 10 DFCDHN C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000282189935 426850044 /nfs/dbraw/zinc/85/00/44/426850044.db2.gz GDEVILNONORXIV-XUSGNXJCSA-N 0 3 307.459 2.833 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246001469 426791319 /nfs/dbraw/zinc/79/13/19/426791319.db2.gz RXGRYKOXHGVWGI-GUYCJALGSA-N 0 3 304.409 2.980 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246001469 426791323 /nfs/dbraw/zinc/79/13/23/426791323.db2.gz RXGRYKOXHGVWGI-GUYCJALGSA-N 0 3 304.409 2.980 20 10 DFCDHN CC[C@@H](NCc1cnn(CCOC)c1)c1ccc(N(C)C)cc1 ZINC000282780535 426926429 /nfs/dbraw/zinc/92/64/29/426926429.db2.gz PMKFCEBWQYMDAD-GOSISDBHSA-N 0 3 316.449 2.836 20 10 DFCDHN CC(C)COCCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000282765759 426923825 /nfs/dbraw/zinc/92/38/25/426923825.db2.gz ULRWRZGBNXEIMT-UHFFFAOYSA-N 0 3 306.450 2.628 20 10 DFCDHN COc1cccc(CN2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000290968235 426872892 /nfs/dbraw/zinc/87/28/92/426872892.db2.gz SFWXLMBZPBLAID-ZDUSSCGKSA-N 0 3 307.781 2.698 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000291178372 426880627 /nfs/dbraw/zinc/88/06/27/426880627.db2.gz FKMPFPXEWGTJEB-LJQANCHMSA-N 0 3 313.397 2.537 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1[O-] ZINC000291178372 426880630 /nfs/dbraw/zinc/88/06/30/426880630.db2.gz FKMPFPXEWGTJEB-LJQANCHMSA-N 0 3 313.397 2.537 20 10 DFCDHN COc1cccc(CN[C@]2(CO)CCCc3ccccc32)c1O ZINC000282410510 426904705 /nfs/dbraw/zinc/90/47/05/426904705.db2.gz QEWNQTXEPKDDEH-IBGZPJMESA-N 0 3 313.397 2.715 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1 ZINC000282954397 426935052 /nfs/dbraw/zinc/93/50/52/426935052.db2.gz CEQHMNAQVMZYNG-MPGHIAIKSA-N 0 3 319.445 2.919 20 10 DFCDHN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(F)ccc1[O-] ZINC000282957848 426935308 /nfs/dbraw/zinc/93/53/08/426935308.db2.gz CIIZDWBBGDKVHB-AHIWAGSCSA-N 0 3 323.408 2.750 20 10 DFCDHN O=C1[C@@H]([NH2+]Cc2ccccc2[O-])CCCN1C1CCCCC1 ZINC000276218261 427011688 /nfs/dbraw/zinc/01/16/88/427011688.db2.gz PZLXQXJCYDFCCJ-INIZCTEOSA-N 0 3 302.418 2.806 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1nnc3n1CCCCC3)CC2 ZINC000295933622 427020429 /nfs/dbraw/zinc/02/04/29/427020429.db2.gz KMHBCKKMJHIWFA-CQSZACIVSA-N 0 3 312.417 2.530 20 10 DFCDHN C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1[O-] ZINC000268807463 427121568 /nfs/dbraw/zinc/12/15/68/427121568.db2.gz GDMUMDSUXSMVFR-JTQLQIEISA-N 0 3 310.195 2.530 20 10 DFCDHN CN(CCc1cscn1)Cc1ccc(N2CCOCC2)cc1 ZINC000296300883 427142855 /nfs/dbraw/zinc/14/28/55/427142855.db2.gz IKJBLRBEBGNZQJ-UHFFFAOYSA-N 0 3 317.458 2.654 20 10 DFCDHN COC[C@H](CCO)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000269007358 427146646 /nfs/dbraw/zinc/14/66/46/427146646.db2.gz LPQFSQBIMWEBBQ-ZBFHGGJFSA-N 0 3 324.440 2.864 20 10 DFCDHN NC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000269350141 427175863 /nfs/dbraw/zinc/17/58/63/427175863.db2.gz KBHVJVUPAQJXSA-INIZCTEOSA-N 0 3 310.397 2.757 20 10 DFCDHN NC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000269350141 427175870 /nfs/dbraw/zinc/17/58/70/427175870.db2.gz KBHVJVUPAQJXSA-INIZCTEOSA-N 0 3 310.397 2.757 20 10 DFCDHN CCCOc1ccc(CNCc2cnccc2OC)c(O)c1 ZINC000292629227 427195245 /nfs/dbraw/zinc/19/52/45/427195245.db2.gz JJRRUWRPZLBBAF-UHFFFAOYSA-N 0 3 302.374 2.874 20 10 DFCDHN C[C@H](N[C@@H](c1nccn1C)C1CCOCC1)c1ccccc1O ZINC000284759805 427197572 /nfs/dbraw/zinc/19/75/72/427197572.db2.gz GQQYNDRWJUJFIR-SUMWQHHRSA-N 0 3 315.417 2.944 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000183348952 427251090 /nfs/dbraw/zinc/25/10/90/427251090.db2.gz YRSALZLVDIKMKP-VXGBXAGGSA-N 0 3 316.323 2.596 20 10 DFCDHN COC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(OC)ccc1O ZINC000183386939 427260211 /nfs/dbraw/zinc/26/02/11/427260211.db2.gz YGNJPCITBDESDA-DAXOMENPSA-N 0 3 319.401 2.707 20 10 DFCDHN C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1[O-] ZINC000183505483 427281830 /nfs/dbraw/zinc/28/18/30/427281830.db2.gz XWSPJOIJJGJACP-RHSMWYFYSA-N 0 3 312.413 2.742 20 10 DFCDHN CC[C@@H](C)CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183696121 427322131 /nfs/dbraw/zinc/32/21/31/427322131.db2.gz FMKAYPHYMCAZRG-CQSZACIVSA-N 0 3 322.449 2.881 20 10 DFCDHN COc1cc(O)c(CN(C)[C@@H](C)c2ccncc2)cc1OC ZINC000183706878 427325757 /nfs/dbraw/zinc/32/57/57/427325757.db2.gz HDBCZMWVSVILQX-LBPRGKRZSA-N 0 3 302.374 2.997 20 10 DFCDHN COC1CCN(c2ccc(CN3CCC[C@@H](OC)C3)cc2)CC1 ZINC000296960264 427290594 /nfs/dbraw/zinc/29/05/94/427290594.db2.gz COJLAVWUEUTVNR-LJQANCHMSA-N 0 3 318.461 2.913 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCC3(CCOCC3)C2)cc1OC ZINC000271109765 427406276 /nfs/dbraw/zinc/40/62/76/427406276.db2.gz TXQSSYPPORDNFL-UHFFFAOYSA-N 0 3 321.417 2.802 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCC3(CCOCC3)C2)cc1OC ZINC000271109765 427406282 /nfs/dbraw/zinc/40/62/82/427406282.db2.gz TXQSSYPPORDNFL-UHFFFAOYSA-N 0 3 321.417 2.802 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000278131100 427412530 /nfs/dbraw/zinc/41/25/30/427412530.db2.gz CFGLDQPNGJKEDF-OCCSQVGLSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000278131100 427412537 /nfs/dbraw/zinc/41/25/37/427412537.db2.gz CFGLDQPNGJKEDF-OCCSQVGLSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1cccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278131100 427412542 /nfs/dbraw/zinc/41/25/42/427412542.db2.gz CFGLDQPNGJKEDF-OCCSQVGLSA-N 0 3 303.324 2.836 20 10 DFCDHN CCOc1ccc(O)c(CN[C@@H](CC)[C@@H](O)C(F)(F)F)c1 ZINC000270972501 427368497 /nfs/dbraw/zinc/36/84/97/427368497.db2.gz JRXYRPPAGRVTOS-WCQYABFASA-N 0 3 307.312 2.582 20 10 DFCDHN CC[C@H](N[C@H](COC)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000278806012 427461903 /nfs/dbraw/zinc/46/19/03/427461903.db2.gz NENMRTLOOGCHJP-KSZLIROESA-N 0 3 306.450 2.987 20 10 DFCDHN COc1cc(O)c(CN2CCCO[C@H](C(C)C)C2)cc1OC ZINC000293887639 427476754 /nfs/dbraw/zinc/47/67/54/427476754.db2.gz DNJGTMSHAZUBTL-KRWDZBQOSA-N 0 3 309.406 2.656 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCO[C@H](C(C)C)C2)cc1OC ZINC000293887639 427476758 /nfs/dbraw/zinc/47/67/58/427476758.db2.gz DNJGTMSHAZUBTL-KRWDZBQOSA-N 0 3 309.406 2.656 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1OC ZINC000293887639 427476765 /nfs/dbraw/zinc/47/67/65/427476765.db2.gz DNJGTMSHAZUBTL-KRWDZBQOSA-N 0 3 309.406 2.656 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCO[C@@H](c2cncn2C)C1)c1ccccc1[O-] ZINC000278875000 427483471 /nfs/dbraw/zinc/48/34/71/427483471.db2.gz CCIIOILBUYIVGD-GDZNZVCISA-N 0 3 301.390 2.697 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000293754956 427426238 /nfs/dbraw/zinc/42/62/38/427426238.db2.gz OMFMHFGXPPSYOM-WBVHZDCISA-N 0 3 319.493 2.543 20 10 DFCDHN Cc1ccc(O)c(CN2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC000271167584 427428580 /nfs/dbraw/zinc/42/85/80/427428580.db2.gz SYRXYAYDHXTGFS-HNNXBMFYSA-N 0 3 304.434 2.827 20 10 DFCDHN CC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccccc1[O-] ZINC000278476816 427442533 /nfs/dbraw/zinc/44/25/33/427442533.db2.gz KFJDHDSYYDFTJB-WBVHZDCISA-N 0 3 306.450 2.934 20 10 DFCDHN COC[C@H](NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000278673348 427446561 /nfs/dbraw/zinc/44/65/61/427446561.db2.gz OIZIOGTZALTSKK-OALUTQOASA-N 0 3 318.461 2.961 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)c([O-])c1 ZINC000279054071 427546137 /nfs/dbraw/zinc/54/61/37/427546137.db2.gz YGZSNSUSNHYBAU-QWQRMKEZSA-N 0 3 315.417 2.863 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000192815774 427614109 /nfs/dbraw/zinc/61/41/09/427614109.db2.gz SUGRXFXDRXEEGE-LSDHHAIUSA-N 0 3 312.417 2.810 20 10 DFCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC000263753229 427557040 /nfs/dbraw/zinc/55/70/40/427557040.db2.gz GYPPKQSIZQZYEK-UHFFFAOYSA-N 0 3 305.466 2.689 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c([O-])c1 ZINC000184915710 427563037 /nfs/dbraw/zinc/56/30/37/427563037.db2.gz UHHPVVSSJPVAIB-NVXWUHKLSA-N 0 3 306.450 2.708 20 10 DFCDHN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cn1 ZINC000279126072 427567533 /nfs/dbraw/zinc/56/75/33/427567533.db2.gz QOILINRCOFPWIB-JTQLQIEISA-N 0 3 303.337 2.736 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc2c(cc1[O-])CCCC2 ZINC000184982296 427572033 /nfs/dbraw/zinc/57/20/33/427572033.db2.gz SIUMLFOMODFIBR-WBMJQRKESA-N 0 3 302.418 2.590 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc2c(cc1[O-])CCCC2 ZINC000184982238 427573266 /nfs/dbraw/zinc/57/32/66/427573266.db2.gz SIUMLFOMODFIBR-BLLLJJGKSA-N 0 3 302.418 2.590 20 10 DFCDHN CC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1O ZINC000271776687 427585382 /nfs/dbraw/zinc/58/53/82/427585382.db2.gz DKVDWOFRNQQHRF-GWCFXTLKSA-N 0 3 314.223 2.666 20 10 DFCDHN CC[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1O ZINC000271776687 427585387 /nfs/dbraw/zinc/58/53/87/427585387.db2.gz DKVDWOFRNQQHRF-GWCFXTLKSA-N 0 3 314.223 2.666 20 10 DFCDHN Cc1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000271919759 427597940 /nfs/dbraw/zinc/59/79/40/427597940.db2.gz RRXMDODDJXQBBH-OAHLLOKOSA-N 0 3 303.377 2.781 20 10 DFCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185130043 427599438 /nfs/dbraw/zinc/59/94/38/427599438.db2.gz RURUMGGFNBJRAJ-ZFWWWQNUSA-N 0 3 319.376 2.930 20 10 DFCDHN COCCCN1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185314625 427634285 /nfs/dbraw/zinc/63/42/85/427634285.db2.gz UGAGARAUJGLOQN-HNNXBMFYSA-N 0 3 306.450 2.852 20 10 DFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185345489 427636052 /nfs/dbraw/zinc/63/60/52/427636052.db2.gz SRWJFFZJVMCKEX-IRXDYDNUSA-N 0 3 319.493 2.625 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000295000106 427669275 /nfs/dbraw/zinc/66/92/75/427669275.db2.gz LFVZQGMFHXOHHN-MAUKXSAKSA-N 0 3 314.385 2.806 20 10 DFCDHN C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC2(CCOCC2)O1 ZINC000279684990 427715760 /nfs/dbraw/zinc/71/57/60/427715760.db2.gz FQQQAZNGPBHJQE-HNNXBMFYSA-N 0 3 304.434 2.523 20 10 DFCDHN CN(C)c1ccc(CN(CCO)C2CC2)c(C(F)(F)F)c1 ZINC000279727911 427718850 /nfs/dbraw/zinc/71/88/50/427718850.db2.gz VPYKUVIFUJCHSE-UHFFFAOYSA-N 0 3 302.340 2.728 20 10 DFCDHN OC1CCN(c2ccc(CNC[C@@H]3CCC=CO3)cc2F)CC1 ZINC000194265139 427737128 /nfs/dbraw/zinc/73/71/28/427737128.db2.gz UOFXDCGQKNSFNQ-INIZCTEOSA-N 0 3 320.408 2.569 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc2c(cc1[O-])CCCC2 ZINC000185994184 427739367 /nfs/dbraw/zinc/73/93/67/427739367.db2.gz HAGDACWQMRWJPI-DOMZBBRYSA-N 0 3 312.417 2.528 20 10 DFCDHN CCOc1cccc(CN2C[C@H](CC)O[C@@]3(CCOC3)C2)c1O ZINC000369540904 427995599 /nfs/dbraw/zinc/99/55/99/427995599.db2.gz LKYJAIFMWNKQBS-YJBOKZPZSA-N 0 3 321.417 2.561 20 10 DFCDHN CCn1cc(CCN2CC=C(c3ccc(N(C)C)cc3)C2)cn1 ZINC000370743814 428288930 /nfs/dbraw/zinc/28/89/30/428288930.db2.gz YEIRNXNAXAWRFF-UHFFFAOYSA-N 0 3 310.445 2.911 20 10 DFCDHN C[C@@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1ccccc1[O-] ZINC000360338837 428259020 /nfs/dbraw/zinc/25/90/20/428259020.db2.gz VDKSWZLIIFPJCE-HUUCEWRRSA-N 0 3 312.417 2.749 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cccc(C)c2[O-])n1 ZINC000371422958 428388067 /nfs/dbraw/zinc/38/80/67/428388067.db2.gz ASBIZAHCBJLGSL-MRXNPFEDSA-N 0 3 300.406 2.574 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2cccc(C)c2[O-])n1 ZINC000371422958 428388074 /nfs/dbraw/zinc/38/80/74/428388074.db2.gz ASBIZAHCBJLGSL-MRXNPFEDSA-N 0 3 300.406 2.574 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000360671937 428394018 /nfs/dbraw/zinc/39/40/18/428394018.db2.gz MKBVEBYGFOEOGD-KRWDZBQOSA-N 0 3 305.324 2.764 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000360671937 428394026 /nfs/dbraw/zinc/39/40/26/428394026.db2.gz MKBVEBYGFOEOGD-KRWDZBQOSA-N 0 3 305.324 2.764 20 10 DFCDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1OC ZINC000371357379 428386923 /nfs/dbraw/zinc/38/69/23/428386923.db2.gz KPGUFPXTCAWJBU-JCURWCKSSA-N 0 3 321.417 2.655 20 10 DFCDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1OC ZINC000371357379 428386928 /nfs/dbraw/zinc/38/69/28/428386928.db2.gz KPGUFPXTCAWJBU-JCURWCKSSA-N 0 3 321.417 2.655 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000372412928 428443731 /nfs/dbraw/zinc/44/37/31/428443731.db2.gz CFZMSAAHCNDTGL-SFHVURJKSA-N 0 3 315.461 2.730 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1[O-] ZINC000372433623 428446648 /nfs/dbraw/zinc/44/66/48/428446648.db2.gz MEQCGIVXSSNLIR-CQSZACIVSA-N 0 3 315.417 2.904 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1[O-] ZINC000372433623 428446656 /nfs/dbraw/zinc/44/66/56/428446656.db2.gz MEQCGIVXSSNLIR-CQSZACIVSA-N 0 3 315.417 2.904 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)c1 ZINC000373604566 428619211 /nfs/dbraw/zinc/61/92/11/428619211.db2.gz RDEIEJSJFJYLQY-SFHVURJKSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)c1 ZINC000373604566 428619213 /nfs/dbraw/zinc/61/92/13/428619213.db2.gz RDEIEJSJFJYLQY-SFHVURJKSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1ccc(O)c(CN2CC(C)(C)O[C@@]3(CCCOC3)C2)c1 ZINC000373604566 428619215 /nfs/dbraw/zinc/61/92/15/428619215.db2.gz RDEIEJSJFJYLQY-SFHVURJKSA-N 0 3 305.418 2.861 20 10 DFCDHN COc1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1O ZINC000155973996 274145358 /nfs/dbraw/zinc/14/53/58/274145358.db2.gz AQECGQQSRTUOHZ-UHFFFAOYSA-N 0 3 316.376 2.862 20 10 DFCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2C2CC2)cc1 ZINC000373974600 428656846 /nfs/dbraw/zinc/65/68/46/428656846.db2.gz ZXZLLGHGDYWPCN-SFHVURJKSA-N 0 3 315.461 2.585 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c1[O-] ZINC000374189803 428668572 /nfs/dbraw/zinc/66/85/72/428668572.db2.gz LHZWYVNRFNAYFX-DLBZAZTESA-N 0 3 320.408 2.793 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1[O-] ZINC000374189803 428668574 /nfs/dbraw/zinc/66/85/74/428668574.db2.gz LHZWYVNRFNAYFX-DLBZAZTESA-N 0 3 320.408 2.793 20 10 DFCDHN C[C@H](NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000362310496 428699709 /nfs/dbraw/zinc/69/97/09/428699709.db2.gz RUYSEBYIKFAGEP-ZYSHUDEJSA-N 0 3 317.477 2.657 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000363520277 428935234 /nfs/dbraw/zinc/93/52/34/428935234.db2.gz PLJLTPDUUVADON-HNNXBMFYSA-N 0 3 308.385 2.802 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000363520277 428935239 /nfs/dbraw/zinc/93/52/39/428935239.db2.gz PLJLTPDUUVADON-HNNXBMFYSA-N 0 3 308.385 2.802 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c1 ZINC000363860128 428999121 /nfs/dbraw/zinc/99/91/21/428999121.db2.gz GHESAQCIPMAOOJ-FZMZJTMJSA-N 0 3 313.401 2.707 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c([O-])c1C ZINC000363868513 429130999 /nfs/dbraw/zinc/13/09/99/429130999.db2.gz NPTWJCIVIXJDQK-CABCVRRESA-N 0 3 314.433 2.672 20 10 DFCDHN CN(C)c1ccc(CN2CCN([C@@H]3CCSC3)CC2)cc1F ZINC000367536890 429668189 /nfs/dbraw/zinc/66/81/89/429668189.db2.gz ZOTODLJXBAREDW-OAHLLOKOSA-N 0 3 323.481 2.515 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1 ZINC000527808009 429803086 /nfs/dbraw/zinc/80/30/86/429803086.db2.gz PAJJCHDSYJFOAN-INIZCTEOSA-N 0 3 304.434 2.897 20 10 DFCDHN CCOc1cccc(CNCc2ccc3cn(C)nc3c2)c1O ZINC000527762914 429793798 /nfs/dbraw/zinc/79/37/98/429793798.db2.gz OLUMREMFLDGILQ-UHFFFAOYSA-N 0 3 311.385 2.967 20 10 DFCDHN CCOc1cccc(C[NH2+]Cc2ccc3cn(C)nc3c2)c1[O-] ZINC000527762914 429793803 /nfs/dbraw/zinc/79/38/03/429793803.db2.gz OLUMREMFLDGILQ-UHFFFAOYSA-N 0 3 311.385 2.967 20 10 DFCDHN CC[C@H](c1ccccc1O)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000368567579 429868710 /nfs/dbraw/zinc/86/87/10/429868710.db2.gz NFOLWQPZTANXDA-ARFHVFGLSA-N 0 3 303.402 2.913 20 10 DFCDHN C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(F)ccc1[O-] ZINC000528013372 429837406 /nfs/dbraw/zinc/83/74/06/429837406.db2.gz CPSDWVJBAKMMIL-LBPRGKRZSA-N 0 3 308.397 2.831 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000368795012 429894355 /nfs/dbraw/zinc/89/43/55/429894355.db2.gz DHCCBGLNVYDVPH-SJLPKXTDSA-N 0 3 317.477 2.555 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000368795012 429894356 /nfs/dbraw/zinc/89/43/56/429894356.db2.gz DHCCBGLNVYDVPH-SJLPKXTDSA-N 0 3 317.477 2.555 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[O-] ZINC000285668747 277106065 /nfs/dbraw/zinc/10/60/65/277106065.db2.gz UDEYMVRFNOABAR-LRDDRELGSA-N 0 3 320.408 2.793 20 10 DFCDHN CC[C@H](N[C@@H](COC)[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000278806018 288063630 /nfs/dbraw/zinc/06/36/30/288063630.db2.gz NENMRTLOOGCHJP-OKZBNKHCSA-N 0 3 306.450 2.987 20 10 DFCDHN CC(C)c1cccc(N(C)C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)c1 ZINC000662536783 431108811 /nfs/dbraw/zinc/10/88/11/431108811.db2.gz ZYUKQZDKSFELLW-AWEZNQCLSA-N 0 3 312.417 2.887 20 10 DFCDHN O=C(c1cn[n-]c1[C@@H]1CC[NH2+]C1)N1CC2(CCC2)c2ccccc21 ZINC000662544740 431110831 /nfs/dbraw/zinc/11/08/31/431110831.db2.gz GLSOSKKSBDZOBT-CYBMUJFWSA-N 0 3 322.412 2.569 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c1 ZINC000185313871 295167132 /nfs/dbraw/zinc/16/71/32/295167132.db2.gz SCOQJKWOIXEUGG-GFCCVEGCSA-N 0 3 324.421 2.918 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000368038421 332202907 /nfs/dbraw/zinc/20/29/07/332202907.db2.gz COTYPQDLKWRYEI-OAHLLOKOSA-N 0 3 300.406 2.697 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000293959052 335116181 /nfs/dbraw/zinc/11/61/81/335116181.db2.gz PSSGIRQOLAIGTJ-INIZCTEOSA-N 0 3 307.777 2.877 20 10 DFCDHN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000294766850 335127221 /nfs/dbraw/zinc/12/72/21/335127221.db2.gz YVYZOHSQQQXIAV-HOCLYGCPSA-N 0 3 304.434 2.692 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c([O-])c1 ZINC000185492350 333209352 /nfs/dbraw/zinc/20/93/52/333209352.db2.gz DBJPXTAWJMIBRQ-HZPDHXFCSA-N 0 3 318.461 2.852 20 10 DFCDHN CCOc1cccc(CN(C)[C@H](CO)c2ccccc2)c1O ZINC000294977963 335129295 /nfs/dbraw/zinc/12/92/95/335129295.db2.gz GIIBJGXYFCMMIS-MRXNPFEDSA-N 0 3 301.386 2.956 20 10 DFCDHN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCc2nccn2C1 ZINC000364674311 333326135 /nfs/dbraw/zinc/32/61/35/333326135.db2.gz RILDIHUBGTZGEF-GFCCVEGCSA-N 0 3 305.809 2.937 20 10 DFCDHN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H]1CCc2nccn2C1 ZINC000364674311 333326137 /nfs/dbraw/zinc/32/61/37/333326137.db2.gz RILDIHUBGTZGEF-GFCCVEGCSA-N 0 3 305.809 2.937 20 10 DFCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295904020 335138488 /nfs/dbraw/zinc/13/84/88/335138488.db2.gz IUECYSFPOPSLKP-WBVHZDCISA-N 0 3 313.397 2.717 20 10 DFCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccccc1 ZINC000296275211 335142878 /nfs/dbraw/zinc/14/28/78/335142878.db2.gz CAIGPRJUZUPDGO-JKSUJKDBSA-N 0 3 308.381 2.775 20 10 DFCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1cc(F)ccc1[O-] ZINC000273475379 334048099 /nfs/dbraw/zinc/04/80/99/334048099.db2.gz KPFDNMGAWRDXQJ-IWEFOYFVSA-N 0 3 322.424 2.560 20 10 DFCDHN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000275515140 334071719 /nfs/dbraw/zinc/07/17/19/334071719.db2.gz KQQJUMPMSLDEOC-HOCLYGCPSA-N 0 3 301.390 2.537 20 10 DFCDHN CN(C)c1ccc(CN2CCC(Oc3cnccn3)CC2)cc1 ZINC000369628328 336868486 /nfs/dbraw/zinc/86/84/86/336868486.db2.gz FQBLBAJAFXXGEM-UHFFFAOYSA-N 0 3 312.417 2.586 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1[O-] ZINC000370351539 336882819 /nfs/dbraw/zinc/88/28/19/336882819.db2.gz PWMNEUAAQWSVDQ-USXIJHARSA-N 0 3 304.434 2.686 20 10 DFCDHN C[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccccc1[O-] ZINC000371546663 336907759 /nfs/dbraw/zinc/90/77/59/336907759.db2.gz NNDXNTUDOSGRFT-LBPRGKRZSA-N 0 3 316.426 2.689 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(NC(=O)c3ccoc3)CC2)c1[O-] ZINC000373223706 336953453 /nfs/dbraw/zinc/95/34/53/336953453.db2.gz KJDRJZNNFCUYLP-UHFFFAOYSA-N 0 3 314.385 2.688 20 10 DFCDHN CN(C)c1ccc(CN2CCOC3(CCOCC3)CC2)cc1 ZINC000375084647 337002925 /nfs/dbraw/zinc/00/29/25/337002925.db2.gz KKMSWSWURFIPEQ-UHFFFAOYSA-N 0 3 304.434 2.524 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cc(F)ccc1[O-] ZINC000376029133 337025603 /nfs/dbraw/zinc/02/56/03/337025603.db2.gz NBQKMUSCMZKWPC-GXTWGEPZSA-N 0 3 318.396 2.584 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1[O-] ZINC000376045743 337025872 /nfs/dbraw/zinc/02/58/72/337025872.db2.gz OSDRAHZZWKEPMH-HNNXBMFYSA-N 0 3 315.417 2.904 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1[O-] ZINC000376045743 337025873 /nfs/dbraw/zinc/02/58/73/337025873.db2.gz OSDRAHZZWKEPMH-HNNXBMFYSA-N 0 3 315.417 2.904 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@H]3CO2)c1 ZINC000376894878 337043359 /nfs/dbraw/zinc/04/33/59/337043359.db2.gz UYVZZRLPMVKMKF-HRCADAONSA-N 0 3 304.434 2.605 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1 ZINC000377543102 337054711 /nfs/dbraw/zinc/05/47/11/337054711.db2.gz PIWYCMVACLODSB-VZAMPYOESA-N 0 3 318.417 2.580 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1 ZINC000377543102 337054712 /nfs/dbraw/zinc/05/47/12/337054712.db2.gz PIWYCMVACLODSB-VZAMPYOESA-N 0 3 318.417 2.580 20 10 DFCDHN CCn1cnnc1C1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000378350020 337070639 /nfs/dbraw/zinc/07/06/39/337070639.db2.gz QKHMURTVERURAW-UHFFFAOYSA-N 0 3 300.406 2.692 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000378350780 337070766 /nfs/dbraw/zinc/07/07/66/337070766.db2.gz PWQQPNQAHCQJHR-MRXNPFEDSA-N 0 3 316.445 2.925 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000378350780 337070767 /nfs/dbraw/zinc/07/07/67/337070767.db2.gz PWQQPNQAHCQJHR-MRXNPFEDSA-N 0 3 316.445 2.925 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCC23CCOCC3)cc1OC ZINC000378441033 337072672 /nfs/dbraw/zinc/07/26/72/337072672.db2.gz DYFPXNUADJXCQO-UHFFFAOYSA-N 0 3 307.390 2.554 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCC23CCOCC3)cc1OC ZINC000378441033 337072673 /nfs/dbraw/zinc/07/26/73/337072673.db2.gz DYFPXNUADJXCQO-UHFFFAOYSA-N 0 3 307.390 2.554 20 10 DFCDHN CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC000183597408 337193606 /nfs/dbraw/zinc/19/36/06/337193606.db2.gz PBFXYBGNTCOXBW-QWHCGFSZSA-N 0 3 300.406 2.773 20 10 DFCDHN CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC000183597442 337193686 /nfs/dbraw/zinc/19/36/86/337193686.db2.gz PBFXYBGNTCOXBW-CHWSQXEVSA-N 0 3 300.406 2.773 20 10 DFCDHN CCOc1ccc(O)c(CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000305186375 337387094 /nfs/dbraw/zinc/38/70/94/337387094.db2.gz UEOAJWISALHFNU-LJQANCHMSA-N 0 3 313.397 2.715 20 10 DFCDHN CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000230166569 340619284 /nfs/dbraw/zinc/61/92/84/340619284.db2.gz DGNAUUFRFHWZTN-CYBMUJFWSA-N 0 3 306.406 2.739 20 10 DFCDHN CCOc1ccc(O)c(CN2CCOC3(CCOCC3)CC2)c1 ZINC000364236318 521148683 /nfs/dbraw/zinc/14/86/83/521148683.db2.gz LCWHKTIOUKKOFW-UHFFFAOYSA-N 0 3 321.417 2.562 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000364236318 521148694 /nfs/dbraw/zinc/14/86/94/521148694.db2.gz LCWHKTIOUKKOFW-UHFFFAOYSA-N 0 3 321.417 2.562 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000364236318 521148699 /nfs/dbraw/zinc/14/86/99/521148699.db2.gz LCWHKTIOUKKOFW-UHFFFAOYSA-N 0 3 321.417 2.562 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000367703998 521148896 /nfs/dbraw/zinc/14/88/96/521148896.db2.gz OEPVCZMHXZOQFG-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000367703998 521148904 /nfs/dbraw/zinc/14/89/04/521148904.db2.gz OEPVCZMHXZOQFG-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000265888614 521151402 /nfs/dbraw/zinc/15/14/02/521151402.db2.gz QNJIUNORUKWJHF-INIZCTEOSA-N 0 3 307.415 2.850 20 10 DFCDHN CCOc1ccc(O)c(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000265270516 521154819 /nfs/dbraw/zinc/15/48/19/521154819.db2.gz UFFGDMCJKZZECM-MRXNPFEDSA-N 0 3 305.349 2.753 20 10 DFCDHN CCOc1cccc(CN2CCN(C3CCCC3)CC2)c1O ZINC000156009060 521341891 /nfs/dbraw/zinc/34/18/91/521341891.db2.gz NXYRYNHJTULBEM-UHFFFAOYSA-N 0 3 304.434 2.851 20 10 DFCDHN CCOC(CN1CC=C(c2ccc(N(C)C)cc2)C1)OCC ZINC000364914242 521630443 /nfs/dbraw/zinc/63/04/43/521630443.db2.gz NEBLRYSVHKPZHA-UHFFFAOYSA-N 0 3 304.434 2.851 20 10 DFCDHN COc1cc([O-])c(C[N@H+](C)CC2(O)CCCCCC2)cc1OC ZINC000190139128 522770548 /nfs/dbraw/zinc/77/05/48/522770548.db2.gz ZFZLVHREMONGSJ-UHFFFAOYSA-N 0 3 323.433 2.927 20 10 DFCDHN COc1cc([O-])c(C[N@@H+](C)CC2(O)CCCCCC2)cc1OC ZINC000190139128 522770555 /nfs/dbraw/zinc/77/05/55/522770555.db2.gz ZFZLVHREMONGSJ-UHFFFAOYSA-N 0 3 323.433 2.927 20 10 DFCDHN COCCOC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000180526455 524026396 /nfs/dbraw/zinc/02/63/96/524026396.db2.gz FBNKTWSNENPFGL-ZDUSSCGKSA-N 0 3 313.825 2.839 20 10 DFCDHN COCCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000180526455 524026397 /nfs/dbraw/zinc/02/63/97/524026397.db2.gz FBNKTWSNENPFGL-ZDUSSCGKSA-N 0 3 313.825 2.839 20 10 DFCDHN CNC(=O)CC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000180379294 524055818 /nfs/dbraw/zinc/05/58/18/524055818.db2.gz IKPZMTIVCIAMFC-UHFFFAOYSA-N 0 3 310.825 2.702 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1[O-] ZINC000180337546 524386982 /nfs/dbraw/zinc/38/69/82/524386982.db2.gz CCBSWDTXDYLRAP-UHFFFAOYSA-N 0 3 316.445 2.925 20 10 DFCDHN Cc1cccc(CN2CCN(Cc3cccc(O)c3)CC2)c1O ZINC000179973920 524400217 /nfs/dbraw/zinc/40/02/17/524400217.db2.gz QLVWLGGBGOLWQR-UHFFFAOYSA-N 0 3 312.413 2.724 20 10 DFCDHN C[C@H]1CC[C@H](CN(C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000188569070 524406132 /nfs/dbraw/zinc/40/61/32/524406132.db2.gz XLMZZUJTCMJBAD-MAUKXSAKSA-N 0 3 304.434 2.523 20 10 DFCDHN Cc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[O-] ZINC000190282396 524411504 /nfs/dbraw/zinc/41/15/04/524411504.db2.gz NATLDCKJBNELSX-HOTGVXAUSA-N 0 3 303.427 2.970 20 10 DFCDHN Cc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[O-] ZINC000190282396 524411513 /nfs/dbraw/zinc/41/15/13/524411513.db2.gz NATLDCKJBNELSX-HOTGVXAUSA-N 0 3 303.427 2.970 20 10 DFCDHN Cc1cccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1[O-] ZINC000181207778 524429949 /nfs/dbraw/zinc/42/99/49/524429949.db2.gz ZYMPTZPTCUIVKL-UHFFFAOYSA-N 0 3 318.461 2.825 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000180125531 524736235 /nfs/dbraw/zinc/73/62/35/524736235.db2.gz RTISHTCNNKUPFR-UHFFFAOYSA-N 0 3 301.390 2.510 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000180614890 524740976 /nfs/dbraw/zinc/74/09/76/524740976.db2.gz ZYRJLFONWBQFIR-OAHLLOKOSA-N 0 3 301.390 2.570 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000180614890 524740982 /nfs/dbraw/zinc/74/09/82/524740982.db2.gz ZYRJLFONWBQFIR-OAHLLOKOSA-N 0 3 301.390 2.570 20 10 DFCDHN C[C@H](N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000267771174 524814504 /nfs/dbraw/zinc/81/45/04/524814504.db2.gz LCSFPTSZDLAFNM-HNNXBMFYSA-N 0 3 317.477 2.831 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000180774157 524867420 /nfs/dbraw/zinc/86/74/20/524867420.db2.gz MUXNPMPGCFFVEW-ZDUSSCGKSA-N 0 3 320.824 2.858 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000180774157 524867428 /nfs/dbraw/zinc/86/74/28/524867428.db2.gz MUXNPMPGCFFVEW-ZDUSSCGKSA-N 0 3 320.824 2.858 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(N3CCCCC3=O)CC2)cc1C ZINC000126716048 525315238 /nfs/dbraw/zinc/31/52/38/525315238.db2.gz IXLSVGWPOPBGAK-UHFFFAOYSA-N 0 3 316.445 2.986 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1C ZINC000266225189 525322128 /nfs/dbraw/zinc/32/21/28/525322128.db2.gz SIHPSIQVPAMZGG-UHFFFAOYSA-N 0 3 322.412 2.939 20 10 DFCDHN COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000182387942 525377055 /nfs/dbraw/zinc/37/70/55/525377055.db2.gz CRICAKNBFTUUAT-KPZWWZAWSA-N 0 3 317.385 2.794 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(O)CC1 ZINC000182954580 526334431 /nfs/dbraw/zinc/33/44/31/526334431.db2.gz IULFCHFQHXSGCF-UHFFFAOYSA-N 0 3 313.397 2.928 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CC[C@H](O)c2ccccc2)cc1OC ZINC000289417115 536856707 /nfs/dbraw/zinc/85/67/07/536856707.db2.gz IQPNLNRIJBWHOG-HNNXBMFYSA-N 0 3 317.385 2.623 20 10 DFCDHN CCOC(=O)[C@H]1CCCN(Cc2cc(OCC)ccc2O)C1 ZINC000092456651 185319486 /nfs/dbraw/zinc/31/94/86/185319486.db2.gz SJJOBMZNWUMWNU-ZDUSSCGKSA-N 0 3 307.390 2.566 20 10 DFCDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092456651 185319487 /nfs/dbraw/zinc/31/94/87/185319487.db2.gz SJJOBMZNWUMWNU-ZDUSSCGKSA-N 0 3 307.390 2.566 20 10 DFCDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092456651 185319488 /nfs/dbraw/zinc/31/94/88/185319488.db2.gz SJJOBMZNWUMWNU-ZDUSSCGKSA-N 0 3 307.390 2.566 20 10 DFCDHN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092710453 185335955 /nfs/dbraw/zinc/33/59/55/185335955.db2.gz KTRIDRCBXKBFBG-OAHLLOKOSA-N 0 3 304.434 2.829 20 10 DFCDHN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092710453 185335956 /nfs/dbraw/zinc/33/59/56/185335956.db2.gz KTRIDRCBXKBFBG-OAHLLOKOSA-N 0 3 304.434 2.829 20 10 DFCDHN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000092707396 185335219 /nfs/dbraw/zinc/33/52/19/185335219.db2.gz OLMTUPAKQDQHIW-KRWDZBQOSA-N 0 3 317.477 2.881 20 10 DFCDHN Cc1nc(C[C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)no1 ZINC000092813660 185343256 /nfs/dbraw/zinc/34/32/56/185343256.db2.gz SBVSITPNVCFVBM-INIZCTEOSA-N 0 3 314.433 2.899 20 10 DFCDHN COc1ccc(N2CCC(N(C)Cc3ccno3)CC2)cc1 ZINC000072801292 398637991 /nfs/dbraw/zinc/63/79/91/398637991.db2.gz AEZFKDFULKBTBS-UHFFFAOYSA-N 0 3 301.390 2.784 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000093870513 398648277 /nfs/dbraw/zinc/64/82/77/398648277.db2.gz NPAKEMJWEKIOMV-AWEZNQCLSA-N 0 3 315.417 2.589 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000093870513 398648281 /nfs/dbraw/zinc/64/82/81/398648281.db2.gz NPAKEMJWEKIOMV-AWEZNQCLSA-N 0 3 315.417 2.589 20 10 DFCDHN C[C@H](N[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000292006630 299372046 /nfs/dbraw/zinc/37/20/46/299372046.db2.gz YEJYLWPYGHSTQP-IAOVAPTHSA-N 0 3 324.490 2.759 20 10 DFCDHN CC[C@H](N[C@H](C)c1cc(OC)ccc1O)[C@H](O)C(F)(F)F ZINC000273343633 130109629 /nfs/dbraw/zinc/10/96/29/130109629.db2.gz ABSUQMJADAXJMM-WLTAIBSBSA-N 0 3 307.312 2.753 20 10 DFCDHN CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)[C@@H](O)C(F)(F)F ZINC000273343628 130110162 /nfs/dbraw/zinc/11/01/62/130110162.db2.gz ABSUQMJADAXJMM-LJUAHTATSA-N 0 3 307.312 2.753 20 10 DFCDHN COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000273438733 130122216 /nfs/dbraw/zinc/12/22/16/130122216.db2.gz MLFFAXBDCIFMNM-SUMWQHHRSA-N 0 3 307.390 2.612 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000273476763 130126573 /nfs/dbraw/zinc/12/65/73/130126573.db2.gz KYWAZBXIRGGEGC-ZVZYQTTQSA-N 0 3 315.413 2.836 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000273550397 130134751 /nfs/dbraw/zinc/13/47/51/130134751.db2.gz FTJOQFHDFNGTDY-RRFJBIMHSA-N 0 3 304.434 2.998 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCN2CCOCC2(C)C)c([O-])c1C ZINC000273588441 130140660 /nfs/dbraw/zinc/14/06/60/130140660.db2.gz OMSRIABUIAYGOF-HNNXBMFYSA-N 0 3 306.450 2.770 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccc(C)o2)c1[O-] ZINC000273817434 130172042 /nfs/dbraw/zinc/17/20/42/130172042.db2.gz ZWWXFQJSUBSNPD-LBPRGKRZSA-N 0 3 311.765 2.779 20 10 DFCDHN CC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccccc1[O-] ZINC000274730385 130257368 /nfs/dbraw/zinc/25/73/68/130257368.db2.gz BWZMIPBZFZQVRD-CQSZACIVSA-N 0 3 303.431 2.978 20 10 DFCDHN CC[C@@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275106722 130291636 /nfs/dbraw/zinc/29/16/36/130291636.db2.gz DQWSTYJDCOWGFH-KOLCDFICSA-N 0 3 302.212 2.885 20 10 DFCDHN CCOCc1cc(CN[C@H](COC)[C@@H]2CCCO2)ccc1OC ZINC000278545149 130700508 /nfs/dbraw/zinc/70/05/08/130700508.db2.gz ANXWAOHOCLGIEO-AEFFLSMTSA-N 0 3 323.433 2.515 20 10 DFCDHN CCN(CC)c1ccc(CN[C@H](COC)[C@H]2CCCO2)cc1 ZINC000278575972 130703784 /nfs/dbraw/zinc/70/37/84/130703784.db2.gz FEDIOTLYPYLBNW-QZTJIDSGSA-N 0 3 306.450 2.816 20 10 DFCDHN C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc2c(cc1[O-])CCCC2 ZINC000287257602 131271427 /nfs/dbraw/zinc/27/14/27/131271427.db2.gz IIEAHSIXGNABRJ-CYBMUJFWSA-N 0 3 307.434 2.709 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000289570295 131397113 /nfs/dbraw/zinc/39/71/13/131397113.db2.gz JNAZJPQFSXUNKK-CHWSQXEVSA-N 0 3 314.223 2.808 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000289570295 131397114 /nfs/dbraw/zinc/39/71/14/131397114.db2.gz JNAZJPQFSXUNKK-CHWSQXEVSA-N 0 3 314.223 2.808 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)NCc1ccccc1 ZINC000297803638 132034910 /nfs/dbraw/zinc/03/49/10/132034910.db2.gz QLJOZKLQRICFIE-CJNGLKHVSA-N 0 3 310.397 2.674 20 10 DFCDHN Cc1cc(CNCc2cccc(C)c2O)nc(N2CCCC2)n1 ZINC000292713988 543016145 /nfs/dbraw/zinc/01/61/45/543016145.db2.gz DNZNFQWWCLZBQJ-UHFFFAOYSA-N 0 3 312.417 2.689 20 10 DFCDHN COc1cccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)c1[O-] ZINC000263703959 286452250 /nfs/dbraw/zinc/45/22/50/286452250.db2.gz RWHHAWQKKLPFBA-ZDUSSCGKSA-N 0 3 300.358 2.669 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c([O-])c1C ZINC000297381478 227091274 /nfs/dbraw/zinc/09/12/74/227091274.db2.gz RCKYRDFVGRNRJR-CVEARBPZSA-N 0 3 306.450 2.506 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000071408002 425985603 /nfs/dbraw/zinc/98/56/03/425985603.db2.gz QTJGVBWXVRPVGZ-LBPRGKRZSA-N 0 3 302.340 2.674 20 10 DFCDHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000113343349 426112800 /nfs/dbraw/zinc/11/28/00/426112800.db2.gz KRRMMSHWFKVMTN-HNNXBMFYSA-N 0 3 318.417 2.721 20 10 DFCDHN CC[N@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OCO2 ZINC000134029551 426185108 /nfs/dbraw/zinc/18/51/08/426185108.db2.gz UJFSZGOEFQUWIU-UHFFFAOYSA-N 0 3 306.387 2.642 20 10 DFCDHN CC[N@@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OCO2 ZINC000134029551 426185110 /nfs/dbraw/zinc/18/51/10/426185110.db2.gz UJFSZGOEFQUWIU-UHFFFAOYSA-N 0 3 306.387 2.642 20 10 DFCDHN Cc1ccc(C(=O)NCCNCc2ccc(N(C)C)cc2)cc1 ZINC000079900042 426206264 /nfs/dbraw/zinc/20/62/64/426206264.db2.gz JHVCXOZYRXUUAW-UHFFFAOYSA-N 0 3 311.429 2.581 20 10 DFCDHN Cc1cc([C@@](C)(O)CNCc2ccc(N(C)C)cc2)c(C)o1 ZINC000174441720 426257270 /nfs/dbraw/zinc/25/72/70/426257270.db2.gz MWIAEAFXZNFDHV-SFHVURJKSA-N 0 3 302.418 2.960 20 10 DFCDHN COc1cccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000151451675 426296393 /nfs/dbraw/zinc/29/63/93/426296393.db2.gz MSUQQTGWNXIDGD-XJKSGUPXSA-N 0 3 309.431 2.545 20 10 DFCDHN COc1ccc(O)c(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000089726466 426304702 /nfs/dbraw/zinc/30/47/02/426304702.db2.gz LVRZSMJFLMZWBI-IPQOISQHSA-N 0 3 319.426 2.989 20 10 DFCDHN CN(C)c1ccc(CN2CCC(Nc3cccnn3)CC2)cc1 ZINC000120271793 426308624 /nfs/dbraw/zinc/30/86/24/426308624.db2.gz DCWCADAEZVSRNG-UHFFFAOYSA-N 0 3 311.433 2.619 20 10 DFCDHN CCn1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000151069154 426276443 /nfs/dbraw/zinc/27/64/43/426276443.db2.gz FYCUFIMIFDMIAX-OAHLLOKOSA-N 0 3 314.433 2.590 20 10 DFCDHN CCCOc1ccc(CN2CCCN(C(=O)CC)CC2)c(O)c1 ZINC000092187127 426348364 /nfs/dbraw/zinc/34/83/64/426348364.db2.gz NPBNYZDXJTUTOA-UHFFFAOYSA-N 0 3 320.433 2.625 20 10 DFCDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(C)c(C)cc1[O-])CC2 ZINC000093613589 426358018 /nfs/dbraw/zinc/35/80/18/426358018.db2.gz IHCXDCVTWDUKNK-ZWKOTPCHSA-N 0 3 319.445 2.761 20 10 DFCDHN CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000153829383 426409488 /nfs/dbraw/zinc/40/94/88/426409488.db2.gz MEIIXOBHVPRPLY-AWEZNQCLSA-N 0 3 306.406 2.785 20 10 DFCDHN COCCOCCN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153986324 426417314 /nfs/dbraw/zinc/41/73/14/426417314.db2.gz WRLSCMQKUWXMOL-MRXNPFEDSA-N 0 3 306.450 2.991 20 10 DFCDHN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccccc1[O-] ZINC000154980814 426460965 /nfs/dbraw/zinc/46/09/65/426460965.db2.gz PLMMFPDKDPANBV-IAGOWNOFSA-N 0 3 306.450 2.790 20 10 DFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000264351588 426541866 /nfs/dbraw/zinc/54/18/66/426541866.db2.gz HESQLNHZSYZYJA-KRWDZBQOSA-N 0 3 320.396 2.755 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1 ZINC000194936374 426496024 /nfs/dbraw/zinc/49/60/24/426496024.db2.gz NAAMUKMJVAIZHP-CYBMUJFWSA-N 0 3 316.405 2.529 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1 ZINC000194936374 426496025 /nfs/dbraw/zinc/49/60/25/426496025.db2.gz NAAMUKMJVAIZHP-CYBMUJFWSA-N 0 3 316.405 2.529 20 10 DFCDHN COc1cc(O)c(CN[C@@H](C)c2cccc(O)c2)cc1OC ZINC000195024373 426499068 /nfs/dbraw/zinc/49/90/68/426499068.db2.gz SHJHABXQMUPVEX-NSHDSACASA-N 0 3 303.358 2.966 20 10 DFCDHN Cc1cc(O)c(CN2C[C@]3(CCOC3)OC(C)(C)C2)cc1C ZINC000280133244 426502116 /nfs/dbraw/zinc/50/21/16/426502116.db2.gz CMKOOVHDCUDLMM-SFHVURJKSA-N 0 3 305.418 2.779 20 10 DFCDHN C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc(F)ccc1[O-] ZINC000186307764 426502235 /nfs/dbraw/zinc/50/22/35/426502235.db2.gz GWCNTTFPRACPSH-ZDUSSCGKSA-N 0 3 316.376 2.541 20 10 DFCDHN CC[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000280079113 426502301 /nfs/dbraw/zinc/50/23/01/426502301.db2.gz LPZKGNQZFMEJDT-MRXNPFEDSA-N 0 3 306.450 2.852 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1OC ZINC000280377418 426561338 /nfs/dbraw/zinc/56/13/38/426561338.db2.gz FAZQSHKEZKXQSB-GXTWGEPZSA-N 0 3 309.406 2.535 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)cc1OC ZINC000280377418 426561341 /nfs/dbraw/zinc/56/13/41/426561341.db2.gz FAZQSHKEZKXQSB-GXTWGEPZSA-N 0 3 309.406 2.535 20 10 DFCDHN CCOC(=O)C1CCC([NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000289413290 426651789 /nfs/dbraw/zinc/65/17/89/426651789.db2.gz IDLQSUDVBHFOAN-UHFFFAOYSA-N 0 3 307.390 2.612 20 10 DFCDHN CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000280891280 426678782 /nfs/dbraw/zinc/67/87/82/426678782.db2.gz DNBBFRGTLMHBOB-INIZCTEOSA-N 0 3 310.397 2.877 20 10 DFCDHN CN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000280891280 426678785 /nfs/dbraw/zinc/67/87/85/426678785.db2.gz DNBBFRGTLMHBOB-INIZCTEOSA-N 0 3 310.397 2.877 20 10 DFCDHN Cc1cccc(C[NH2+]CCCn2cc(Br)cn2)c1[O-] ZINC000290052651 426681513 /nfs/dbraw/zinc/68/15/13/426681513.db2.gz DSGQQCMXNPXKSH-UHFFFAOYSA-N 0 3 324.222 2.840 20 10 DFCDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCO2 ZINC000227684877 426629390 /nfs/dbraw/zinc/62/93/90/426629390.db2.gz XTAPVRSATVRAFV-GFCCVEGCSA-N 0 3 306.406 2.624 20 10 DFCDHN COc1ccc(O)c(CN[C@H](CN(C)C)c2ccccc2)c1 ZINC000237206344 426689693 /nfs/dbraw/zinc/68/96/93/426689693.db2.gz QTJVPBYEWNBCIU-QGZVFWFLSA-N 0 3 300.402 2.793 20 10 DFCDHN COc1cccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000290103821 426694530 /nfs/dbraw/zinc/69/45/30/426694530.db2.gz KMQNAAXYWZUJJQ-INIZCTEOSA-N 0 3 318.392 2.932 20 10 DFCDHN COC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(OC)c1O ZINC000179200766 426767226 /nfs/dbraw/zinc/76/72/26/426767226.db2.gz ACRUJLXHPZRIHU-BPLDGKMQSA-N 0 3 319.401 2.707 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c([O-])c1 ZINC000179372824 426781602 /nfs/dbraw/zinc/78/16/02/426781602.db2.gz SBBDBXXQSCHJEA-HNNXBMFYSA-N 0 3 321.417 2.766 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c([O-])c1 ZINC000179372824 426781607 /nfs/dbraw/zinc/78/16/07/426781607.db2.gz SBBDBXXQSCHJEA-HNNXBMFYSA-N 0 3 321.417 2.766 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[O-] ZINC000245948611 426787536 /nfs/dbraw/zinc/78/75/36/426787536.db2.gz WJKHDVJEUDEWSM-BBRMVZONSA-N 0 3 324.852 2.507 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](N3CCOCC3)[C@@H](C)C2)c1[O-] ZINC000245948611 426787538 /nfs/dbraw/zinc/78/75/38/426787538.db2.gz WJKHDVJEUDEWSM-BBRMVZONSA-N 0 3 324.852 2.507 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[O-] ZINC000290298836 426736045 /nfs/dbraw/zinc/73/60/45/426736045.db2.gz BBFBNRCSAOQPGF-WFASDCNBSA-N 0 3 324.852 2.970 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1[O-] ZINC000290298836 426736048 /nfs/dbraw/zinc/73/60/48/426736048.db2.gz BBFBNRCSAOQPGF-WFASDCNBSA-N 0 3 324.852 2.970 20 10 DFCDHN O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3O)CC2)cc1 ZINC000179552542 426799419 /nfs/dbraw/zinc/79/94/19/426799419.db2.gz WFXSMFPGPNYVOK-UHFFFAOYSA-N 0 3 313.357 2.623 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@@H](OCCO)C2)cc1 ZINC000179580259 426803744 /nfs/dbraw/zinc/80/37/44/426803744.db2.gz IBBYRIKARWPWAQ-GOSISDBHSA-N 0 3 306.450 2.506 20 10 DFCDHN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000291033044 426872627 /nfs/dbraw/zinc/87/26/27/426872627.db2.gz YRBKGAWKHPHYFH-ZJUUUORDSA-N 0 3 302.212 2.976 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291319682 426883984 /nfs/dbraw/zinc/88/39/84/426883984.db2.gz SLUWINPZAHMDEF-LJQANCHMSA-N 0 3 313.397 2.537 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291319682 426883991 /nfs/dbraw/zinc/88/39/91/426883991.db2.gz SLUWINPZAHMDEF-LJQANCHMSA-N 0 3 313.397 2.537 20 10 DFCDHN COc1cc(O)c(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1OC ZINC000291503083 426899936 /nfs/dbraw/zinc/89/99/36/426899936.db2.gz HPNUNXKHLNZYDW-RHSMWYFYSA-N 0 3 321.417 2.799 20 10 DFCDHN C[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268822677 427128549 /nfs/dbraw/zinc/12/85/49/427128549.db2.gz KIDROCMUIFVELM-RDJZCZTQSA-N 0 3 315.461 2.948 20 10 DFCDHN O=C1CCCN1[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000276903854 427125967 /nfs/dbraw/zinc/12/59/67/427125967.db2.gz OEXUDLSNWFIZJJ-HNNXBMFYSA-N 0 3 310.397 2.742 20 10 DFCDHN O=C1CCCN1[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000276903854 427125974 /nfs/dbraw/zinc/12/59/74/427125974.db2.gz OEXUDLSNWFIZJJ-HNNXBMFYSA-N 0 3 310.397 2.742 20 10 DFCDHN COC[C@@H](CCO)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000269007353 427145566 /nfs/dbraw/zinc/14/55/66/427145566.db2.gz LPQFSQBIMWEBBQ-GOEBONIOSA-N 0 3 324.440 2.864 20 10 DFCDHN COC1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1 ZINC000296467231 427189662 /nfs/dbraw/zinc/18/96/62/427189662.db2.gz JTLJTTPMGWFPCT-UHFFFAOYSA-N 0 3 318.461 2.913 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)c1[O-] ZINC000252866435 427196202 /nfs/dbraw/zinc/19/62/02/427196202.db2.gz RAQIGRAVDJRHKH-ZIAGYGMSSA-N 0 3 310.825 2.771 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000269823547 427284272 /nfs/dbraw/zinc/28/42/72/427284272.db2.gz PWVWIWCLEOOZNV-IBGZPJMESA-N 0 3 313.397 2.715 20 10 DFCDHN CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC000183654134 427311222 /nfs/dbraw/zinc/31/12/22/427311222.db2.gz LFOGSZXXQASFAO-STQMWFEESA-N 0 3 300.406 2.773 20 10 DFCDHN CO[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000293577918 427370224 /nfs/dbraw/zinc/37/02/24/427370224.db2.gz HMUPZTXIFIRMPP-ZDUSSCGKSA-N 0 3 314.223 2.978 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@H]1C1CC1)OCO2 ZINC000293590945 427372630 /nfs/dbraw/zinc/37/26/30/427372630.db2.gz IMIVLXDTPGEKIS-QGZVFWFLSA-N 0 3 317.385 2.512 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CC3(CCOCC3)[C@H]1C1CC1)OCO2 ZINC000293590945 427372633 /nfs/dbraw/zinc/37/26/33/427372633.db2.gz IMIVLXDTPGEKIS-QGZVFWFLSA-N 0 3 317.385 2.512 20 10 DFCDHN CCOc1cccc(CN2CCC(NC(=O)C(C)C)CC2)c1O ZINC000271061224 427391083 /nfs/dbraw/zinc/39/10/83/427391083.db2.gz WZMCGUCYJCLBEJ-UHFFFAOYSA-N 0 3 320.433 2.528 20 10 DFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C(C)C)N(C)C ZINC000271103393 427404767 /nfs/dbraw/zinc/40/47/67/427404767.db2.gz YMZNAMBBGNAUER-QGZVFWFLSA-N 0 3 305.466 2.687 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1C ZINC000278112376 427407662 /nfs/dbraw/zinc/40/76/62/427407662.db2.gz BMFSGQBOYVDKCZ-INIZCTEOSA-N 0 3 314.433 2.501 20 10 DFCDHN CCN(CC)c1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1 ZINC000270472665 427359200 /nfs/dbraw/zinc/35/92/00/427359200.db2.gz HXQNBKIFNOZYPP-CQSZACIVSA-N 0 3 304.356 2.936 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCO[C@H](c2cncn2C)C1)c1ccccc1[O-] ZINC000278874992 427484090 /nfs/dbraw/zinc/48/40/90/427484090.db2.gz CCIIOILBUYIVGD-AHIWAGSCSA-N 0 3 301.390 2.697 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000293754949 427427105 /nfs/dbraw/zinc/42/71/05/427427105.db2.gz OMFMHFGXPPSYOM-NVXWUHKLSA-N 0 3 319.493 2.543 20 10 DFCDHN Cc1ccc(CN2CC[C@H](NCc3cccc(C)c3O)C2=O)cc1 ZINC000191808626 427430884 /nfs/dbraw/zinc/43/08/84/427430884.db2.gz YHZGNYPSGLSZJS-SFHVURJKSA-N 0 3 324.424 2.900 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c([O-])c1 ZINC000278426940 427440280 /nfs/dbraw/zinc/44/02/80/427440280.db2.gz JBZDEJNFKZYZNB-CABCVRRESA-N 0 3 314.433 2.754 20 10 DFCDHN CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccccc1[O-] ZINC000278476814 427441579 /nfs/dbraw/zinc/44/15/79/427441579.db2.gz KFJDHDSYYDFTJB-NVXWUHKLSA-N 0 3 306.450 2.934 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c1 ZINC000279004367 427527898 /nfs/dbraw/zinc/52/78/98/427527898.db2.gz RYPIXGRFMZCPBL-CHWSQXEVSA-N 0 3 301.390 2.511 20 10 DFCDHN COc1cccc(CNCc2ccnc(N3CCCC3)c2)c1O ZINC000263706024 427548050 /nfs/dbraw/zinc/54/80/50/427548050.db2.gz SKBVOFWTVRWBFP-UHFFFAOYSA-N 0 3 313.401 2.686 20 10 DFCDHN C[C@@H]([NH2+]CCCN(C)C)c1ccc(Br)cc1[O-] ZINC000184843011 427548361 /nfs/dbraw/zinc/54/83/61/427548361.db2.gz QJNFHQXBLXZEOG-SNVBAGLBSA-N 0 3 301.228 2.757 20 10 DFCDHN Cc1cc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)ccc1N(C)C ZINC000294125067 427559132 /nfs/dbraw/zinc/55/91/32/427559132.db2.gz NNHOLIXDRLKSSY-LJQANCHMSA-N 0 3 318.461 2.831 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1 ZINC000184915362 427564641 /nfs/dbraw/zinc/56/46/41/427564641.db2.gz PRIAIHOGZWBDMS-NVXWUHKLSA-N 0 3 306.450 2.708 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1OC ZINC000271765123 427583427 /nfs/dbraw/zinc/58/34/27/427583427.db2.gz AHCDVGBJJUOMNL-HIFRSBDPSA-N 0 3 309.406 2.703 20 10 DFCDHN Cc1cc(Br)cc(CN2CCC[C@@H](CO)C2)c1O ZINC000271779472 427584795 /nfs/dbraw/zinc/58/47/95/427584795.db2.gz GMTUXXCAPDLQHQ-LLVKDONJSA-N 0 3 314.223 2.667 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1[O-] ZINC000271873150 427591136 /nfs/dbraw/zinc/59/11/36/427591136.db2.gz YMBCKVQFABSRCZ-QWRGUYRKSA-N 0 3 314.223 2.978 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000271859792 427593342 /nfs/dbraw/zinc/59/33/42/427593342.db2.gz TUXILZLLODHPSM-DIFFPNOSSA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185130022 427599909 /nfs/dbraw/zinc/59/99/09/427599909.db2.gz RURUMGGFNBJRAJ-DZGCQCFKSA-N 0 3 319.376 2.930 20 10 DFCDHN O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc(O)c1[O-] ZINC000193119861 427668855 /nfs/dbraw/zinc/66/88/55/427668855.db2.gz DQCZTHSNCCOTSR-UHFFFAOYSA-N 0 3 318.417 2.625 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)c1 ZINC000295000109 427670202 /nfs/dbraw/zinc/67/02/02/427670202.db2.gz LFVZQGMFHXOHHN-QAPCUYQASA-N 0 3 314.385 2.806 20 10 DFCDHN CO[C@H]1CCN(Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295061264 427676795 /nfs/dbraw/zinc/67/67/95/427676795.db2.gz PLFMJSIMFRSKMD-SFHVURJKSA-N 0 3 304.434 2.523 20 10 DFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2[O-])C12CCOCC2 ZINC000185658922 427686944 /nfs/dbraw/zinc/68/69/44/427686944.db2.gz SVBRDEUHAGGOLJ-IAGOWNOFSA-N 0 3 305.418 2.764 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000185813334 427712438 /nfs/dbraw/zinc/71/24/38/427712438.db2.gz MKMMTPCZHSYABZ-WBMJQRKESA-N 0 3 314.360 2.987 20 10 DFCDHN Cc1ccncc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000279817195 427716810 /nfs/dbraw/zinc/71/68/10/427716810.db2.gz GDDLCIPRZJNJEL-UHFFFAOYSA-N 0 3 315.392 2.656 20 10 DFCDHN Cc1noc(CC[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)n1 ZINC000185972471 427737106 /nfs/dbraw/zinc/73/71/06/427737106.db2.gz VEDGXHNRCKHRLP-NSHDSACASA-N 0 3 301.390 2.856 20 10 DFCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000186021468 427740675 /nfs/dbraw/zinc/74/06/75/427740675.db2.gz MRNNFOXSILWJPF-CMPLNLGQSA-N 0 3 316.323 2.514 20 10 DFCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186068627 427744745 /nfs/dbraw/zinc/74/47/45/427744745.db2.gz OCHLNEZEIFJKAU-GFCCVEGCSA-N 0 3 320.364 2.903 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000186088941 427746405 /nfs/dbraw/zinc/74/64/05/427746405.db2.gz XTIXPFIKKPAPGZ-DOMZBBRYSA-N 0 3 314.429 2.685 20 10 DFCDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000370766692 428292882 /nfs/dbraw/zinc/29/28/82/428292882.db2.gz NRTFSHVOZAWCJH-LJQANCHMSA-N 0 3 323.440 2.544 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c([O-])c1C ZINC000371877219 428406172 /nfs/dbraw/zinc/40/61/72/428406172.db2.gz UBKIBIQBQAVBKZ-LSDHHAIUSA-N 0 3 314.433 2.672 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000372082277 428414737 /nfs/dbraw/zinc/41/47/37/428414737.db2.gz ZFXWAEWYSARCGG-IRXDYDNUSA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000372082277 428414740 /nfs/dbraw/zinc/41/47/40/428414740.db2.gz ZFXWAEWYSARCGG-IRXDYDNUSA-N 0 3 302.418 2.676 20 10 DFCDHN COc1cccc(CN2CC[C@H](Oc3cccnc3C)C2)c1O ZINC000372817177 428504399 /nfs/dbraw/zinc/50/43/99/428504399.db2.gz XWCOQZUBRFGVEO-HNNXBMFYSA-N 0 3 314.385 2.758 20 10 DFCDHN Cc1nc(C)n([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000373142209 428517694 /nfs/dbraw/zinc/51/76/94/428517694.db2.gz SVQCKXWNSCMGKY-HNNXBMFYSA-N 0 3 304.369 2.577 20 10 DFCDHN Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000373142209 428517702 /nfs/dbraw/zinc/51/77/02/428517702.db2.gz SVQCKXWNSCMGKY-HNNXBMFYSA-N 0 3 304.369 2.577 20 10 DFCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC23CCC3)cc1 ZINC000373104658 428518418 /nfs/dbraw/zinc/51/84/18/428518418.db2.gz QIOMRZFDYBTOJG-UHFFFAOYSA-N 0 3 315.461 2.730 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N2CCN([C@@H]3CCSC3)CC2)c1 ZINC000372595918 428471704 /nfs/dbraw/zinc/47/17/04/428471704.db2.gz BWNTUYHHDAGPMX-ZIAGYGMSSA-N 0 3 322.474 2.585 20 10 DFCDHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1[O-])CC2 ZINC000373561879 428606989 /nfs/dbraw/zinc/60/69/89/428606989.db2.gz QZOGJMLUVSYRQA-DZGCQCFKSA-N 0 3 314.433 2.910 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(OC3CCOCC3)CC2)c1 ZINC000362048745 428613777 /nfs/dbraw/zinc/61/37/77/428613777.db2.gz XNCSGJGTKOIWMT-UHFFFAOYSA-N 0 3 321.417 2.561 20 10 DFCDHN COc1ccc(O)c(CN2CCC(OC3CCOCC3)CC2)c1 ZINC000362048745 428613784 /nfs/dbraw/zinc/61/37/84/428613784.db2.gz XNCSGJGTKOIWMT-UHFFFAOYSA-N 0 3 321.417 2.561 20 10 DFCDHN COc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000373974909 428656568 /nfs/dbraw/zinc/65/65/68/428656568.db2.gz FZBJRWCAQCHWHK-QWQRMKEZSA-N 0 3 321.417 2.559 20 10 DFCDHN C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000290322778 274530723 /nfs/dbraw/zinc/53/07/23/274530723.db2.gz OKEUAYJXLIAWIQ-IXDGSTSKSA-N 0 3 312.413 2.898 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000367308719 429617101 /nfs/dbraw/zinc/61/71/01/429617101.db2.gz QSJIKNSYCSVCEJ-JKSUJKDBSA-N 0 3 314.433 2.945 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000367308719 429617106 /nfs/dbraw/zinc/61/71/06/429617106.db2.gz QSJIKNSYCSVCEJ-JKSUJKDBSA-N 0 3 314.433 2.945 20 10 DFCDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000367180464 429591428 /nfs/dbraw/zinc/59/14/28/429591428.db2.gz UAQPTVAHUGUVDJ-RRQGHBQHSA-N 0 3 301.434 2.557 20 10 DFCDHN CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000296781451 276077912 /nfs/dbraw/zinc/07/79/12/276077912.db2.gz KUGVZSKOHIZYPZ-UONOGXRCSA-N 0 3 312.417 2.699 20 10 DFCDHN C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000367803078 429719850 /nfs/dbraw/zinc/71/98/50/429719850.db2.gz QSWHEHPQJSLRJG-HOCLYGCPSA-N 0 3 310.397 2.844 20 10 DFCDHN COc1ccc(CNC[C@@H]2c3ccccc3C(=O)N2C)cc1C ZINC000527806988 429802366 /nfs/dbraw/zinc/80/23/66/429802366.db2.gz OCEWGTPPZFUNAG-QGZVFWFLSA-N 0 3 310.397 2.920 20 10 DFCDHN CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000528004542 429835701 /nfs/dbraw/zinc/83/57/01/429835701.db2.gz RTCHSYKDSXZAPY-CVEARBPZSA-N 0 3 308.381 2.796 20 10 DFCDHN COCCn1ncc2c1[C@H](NCc1cc(C)ccc1O)CCC2 ZINC000368832148 429897585 /nfs/dbraw/zinc/89/75/85/429897585.db2.gz BXNYUBRYBWKHOC-MRXNPFEDSA-N 0 3 315.417 2.711 20 10 DFCDHN COCCn1ncc2c1[C@H]([NH2+]Cc1cc(C)ccc1[O-])CCC2 ZINC000368832148 429897586 /nfs/dbraw/zinc/89/75/86/429897586.db2.gz BXNYUBRYBWKHOC-MRXNPFEDSA-N 0 3 315.417 2.711 20 10 DFCDHN CCOC[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000529664182 430047619 /nfs/dbraw/zinc/04/76/19/430047619.db2.gz BATZIIMDPUVMRF-HNNXBMFYSA-N 0 3 301.386 2.783 20 10 DFCDHN CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCc3cccc([O-])c31)CC2 ZINC000296781456 278110611 /nfs/dbraw/zinc/11/06/11/278110611.db2.gz KUGVZSKOHIZYPZ-ZIAGYGMSSA-N 0 3 312.417 2.699 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2cc(CO)ccc2F)c1 ZINC000528437820 300790242 /nfs/dbraw/zinc/79/02/42/300790242.db2.gz ODDYUBAKBHREPI-NSHDSACASA-N 0 3 305.349 2.883 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c([O-])c1C ZINC000273432240 301786153 /nfs/dbraw/zinc/78/61/53/301786153.db2.gz WBFVPPOJCSBBMG-HNNXBMFYSA-N 0 3 306.450 2.770 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccccc1[O-] ZINC000293662882 335114622 /nfs/dbraw/zinc/11/46/22/335114622.db2.gz LZOFWMOEJAQRDE-IIAWOOMASA-N 0 3 311.447 2.789 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000113343408 333119555 /nfs/dbraw/zinc/11/95/55/333119555.db2.gz OEAWUNUATSNRQP-CQSZACIVSA-N 0 3 306.406 2.800 20 10 DFCDHN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cccc(OC)c1[O-] ZINC000294692753 335125247 /nfs/dbraw/zinc/12/52/47/335125247.db2.gz BVOGDFZIUVINCN-NSHDSACASA-N 0 3 307.312 2.848 20 10 DFCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H](O)C(F)F ZINC000295083829 335132141 /nfs/dbraw/zinc/13/21/41/335132141.db2.gz QSZQQDAXANZDBI-JOYOIKCWSA-N 0 3 309.740 2.548 20 10 DFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC=CO1 ZINC000193639033 333305161 /nfs/dbraw/zinc/30/51/61/333305161.db2.gz CECSKOLCMUKJDO-SFHVURJKSA-N 0 3 302.418 2.648 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCn2nc(C)cc2C)c1 ZINC000184872186 333367823 /nfs/dbraw/zinc/36/78/23/333367823.db2.gz YQZMEEXDMHTFHQ-AWEZNQCLSA-N 0 3 303.406 2.955 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)CC2 ZINC000295790223 335137961 /nfs/dbraw/zinc/13/79/61/335137961.db2.gz BNJJCJSWKIZZQB-PBHICJAKSA-N 0 3 315.388 2.959 20 10 DFCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccccc1 ZINC000296275206 335142826 /nfs/dbraw/zinc/14/28/26/335142826.db2.gz CAIGPRJUZUPDGO-HZPDHXFCSA-N 0 3 308.381 2.775 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000272530933 334036747 /nfs/dbraw/zinc/03/67/47/334036747.db2.gz ZNDUWYFNAAHFTK-LBPRGKRZSA-N 0 3 316.380 2.906 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000272530933 334036748 /nfs/dbraw/zinc/03/67/48/334036748.db2.gz ZNDUWYFNAAHFTK-LBPRGKRZSA-N 0 3 316.380 2.906 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000273459311 334047056 /nfs/dbraw/zinc/04/70/56/334047056.db2.gz HUTPZSIGKQQJCY-QMTHXVAHSA-N 0 3 315.373 2.630 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]CCc2cn3c(n2)SCC3)cc1C ZINC000274250480 334058123 /nfs/dbraw/zinc/05/81/23/334058123.db2.gz JUBXYCJVPYPYIM-UHFFFAOYSA-N 0 3 303.431 2.644 20 10 DFCDHN CCS(=O)(=O)c1ccc(CNCc2ccccc2O)s1 ZINC000280691219 334119497 /nfs/dbraw/zinc/11/94/97/334119497.db2.gz VSFUUHRYVFKBNM-UHFFFAOYSA-N 0 3 311.428 2.537 20 10 DFCDHN COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCc3cccc([O-])c31)C2 ZINC000296833270 334237127 /nfs/dbraw/zinc/23/71/27/334237127.db2.gz MQRNXJQBYLKAKX-GDBMZVCRSA-N 0 3 311.381 2.981 20 10 DFCDHN Cc1c2ccccc2n(C)c1CNC(=O)CN1[C@H](C)CC[C@H]1C ZINC000352136310 336196195 /nfs/dbraw/zinc/19/61/95/336196195.db2.gz XVLCNZMBVZJHMC-ZIAGYGMSSA-N 0 3 313.445 2.976 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c([O-])c1 ZINC000192810098 336263866 /nfs/dbraw/zinc/26/38/66/336263866.db2.gz VYFJJEGKLJMLOK-HUUCEWRRSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000368164287 336839803 /nfs/dbraw/zinc/83/98/03/336839803.db2.gz TXIRIMKGKHJTBE-OAHLLOKOSA-N 0 3 305.418 2.718 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)c3ccoc3)CC2)c1 ZINC000371411056 336903215 /nfs/dbraw/zinc/90/32/15/336903215.db2.gz KZRHFCYMQLGOHT-UHFFFAOYSA-N 0 3 314.385 2.688 20 10 DFCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1cccs1 ZINC000374283860 336985868 /nfs/dbraw/zinc/98/58/68/336985868.db2.gz PMLYGLAQRYSGMS-UHFFFAOYSA-N 0 3 316.426 2.848 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000375097113 337003273 /nfs/dbraw/zinc/00/32/73/337003273.db2.gz PWAQUODNUBGHCN-OAHLLOKOSA-N 0 3 322.412 2.890 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000375097113 337003274 /nfs/dbraw/zinc/00/32/74/337003274.db2.gz PWAQUODNUBGHCN-OAHLLOKOSA-N 0 3 322.412 2.890 20 10 DFCDHN CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])CC2 ZINC000375851592 337021310 /nfs/dbraw/zinc/02/13/10/337021310.db2.gz UYCAAFBKOUVMAU-STQMWFEESA-N 0 3 300.406 2.520 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccncc3)C1)OCO2 ZINC000376868251 337042994 /nfs/dbraw/zinc/04/29/94/337042994.db2.gz YYIDPOFNABGNHX-AWEZNQCLSA-N 0 3 312.369 2.581 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccncc3)C1)OCO2 ZINC000376868251 337042995 /nfs/dbraw/zinc/04/29/95/337042995.db2.gz YYIDPOFNABGNHX-AWEZNQCLSA-N 0 3 312.369 2.581 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)c1 ZINC000376894875 337043354 /nfs/dbraw/zinc/04/33/54/337043354.db2.gz UYVZZRLPMVKMKF-ARFHVFGLSA-N 0 3 304.434 2.605 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(Cn2cncn2)CC1 ZINC000377730544 337059796 /nfs/dbraw/zinc/05/97/96/337059796.db2.gz ZDXUVPSMGORVDB-INIZCTEOSA-N 0 3 300.406 2.847 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1[O-] ZINC000378397031 337071675 /nfs/dbraw/zinc/07/16/75/337071675.db2.gz ANVUEMXGFADBFE-CQSZACIVSA-N 0 3 307.390 2.566 20 10 DFCDHN Cc1nnc([C@H]2CC23CC[NH+](Cc2cc(F)ccc2[O-])CC3)o1 ZINC000378496973 337074504 /nfs/dbraw/zinc/07/45/04/337074504.db2.gz PEBASPZGMZNHSI-CQSZACIVSA-N 0 3 317.364 2.992 20 10 DFCDHN [O-]c1ccccc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000179554126 337170122 /nfs/dbraw/zinc/17/01/22/337170122.db2.gz GSAHVGOHNWAYFQ-UHFFFAOYSA-N 0 3 308.385 2.815 20 10 DFCDHN Cn1ccnc1CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180113719 337171455 /nfs/dbraw/zinc/17/14/55/337171455.db2.gz ZDLKLWOFSPCAPZ-UHFFFAOYSA-N 0 3 303.381 2.720 20 10 DFCDHN C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(F)ccc1[O-] ZINC000184989840 337202180 /nfs/dbraw/zinc/20/21/80/337202180.db2.gz PVDPBVDKHIYYQQ-GFCCVEGCSA-N 0 3 312.348 2.963 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2cccnc2-n2cccn2)c1 ZINC000184988559 337202249 /nfs/dbraw/zinc/20/22/49/337202249.db2.gz OBIPKHJKKAEOFV-ZDUSSCGKSA-N 0 3 324.384 2.832 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000184988559 337202250 /nfs/dbraw/zinc/20/22/50/337202250.db2.gz OBIPKHJKKAEOFV-ZDUSSCGKSA-N 0 3 324.384 2.832 20 10 DFCDHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])CC2 ZINC000185995736 337252516 /nfs/dbraw/zinc/25/25/16/337252516.db2.gz BWNJVFDQUKVJOE-QWHCGFSZSA-N 0 3 300.406 2.520 20 10 DFCDHN Oc1ccc(Cl)cc1CN1CCC[C@@H](NCc2ncc[nH]2)C1 ZINC000113359324 337391034 /nfs/dbraw/zinc/39/10/34/337391034.db2.gz OFSBMYMWRLTIFK-CQSZACIVSA-N 0 3 320.824 2.523 20 10 DFCDHN C[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1cc(F)ccc1[O-] ZINC000359963006 337441097 /nfs/dbraw/zinc/44/10/97/337441097.db2.gz XUMVXDVBBWCMOQ-TZMCWYRMSA-N 0 3 316.380 2.641 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c([O-])c1 ZINC000528017654 337783999 /nfs/dbraw/zinc/78/39/99/337783999.db2.gz XSEBDEYTUNTORP-AWEZNQCLSA-N 0 3 304.434 3.000 20 10 DFCDHN CN(C)[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000237170915 340668511 /nfs/dbraw/zinc/66/85/11/340668511.db2.gz PVCOGPQPDRPZKB-HNNXBMFYSA-N 0 3 314.385 2.513 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC([NH2+]C(C)C)CC2)c1[O-] ZINC000175637233 518285094 /nfs/dbraw/zinc/28/50/94/518285094.db2.gz XLFKOHPQJMUOEJ-UHFFFAOYSA-N 0 3 308.397 2.696 20 10 DFCDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179931530 519873636 /nfs/dbraw/zinc/87/36/36/519873636.db2.gz FCTJHWGNRYZDOV-HNNXBMFYSA-N 0 3 304.434 2.829 20 10 DFCDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179931530 519873638 /nfs/dbraw/zinc/87/36/38/519873638.db2.gz FCTJHWGNRYZDOV-HNNXBMFYSA-N 0 3 304.434 2.829 20 10 DFCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2[O-])C12CCOCC2 ZINC000186456155 520550309 /nfs/dbraw/zinc/55/03/09/520550309.db2.gz MRVMWUILJSJDFF-CVEARBPZSA-N 0 3 305.418 2.764 20 10 DFCDHN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179935846 520675750 /nfs/dbraw/zinc/67/57/50/520675750.db2.gz YAKVPJGAWAIWJR-INIZCTEOSA-N 0 3 304.434 2.829 20 10 DFCDHN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179935846 520675753 /nfs/dbraw/zinc/67/57/53/520675753.db2.gz YAKVPJGAWAIWJR-INIZCTEOSA-N 0 3 304.434 2.829 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000122113490 521145158 /nfs/dbraw/zinc/14/51/58/521145158.db2.gz JHLOKDJAEBVPJU-UHFFFAOYSA-N 0 3 315.417 2.900 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000180125849 521338990 /nfs/dbraw/zinc/33/89/90/521338990.db2.gz MENGTYUTAYCRFY-MRXNPFEDSA-N 0 3 315.417 2.960 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000180125849 521338999 /nfs/dbraw/zinc/33/89/99/521338999.db2.gz MENGTYUTAYCRFY-MRXNPFEDSA-N 0 3 315.417 2.960 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@H](C)Cn2ccnc2C)c1[O-] ZINC000236940241 521365068 /nfs/dbraw/zinc/36/50/68/521365068.db2.gz YWWKLCBULFFPLY-ZDUSSCGKSA-N 0 3 303.406 2.722 20 10 DFCDHN CCOc1cccc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)c1[O-] ZINC000189022912 521370887 /nfs/dbraw/zinc/37/08/87/521370887.db2.gz GCYUTKURQLNHSD-QGZVFWFLSA-N 0 3 315.413 2.793 20 10 DFCDHN CC[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N(C)C ZINC000124612950 521804383 /nfs/dbraw/zinc/80/43/83/521804383.db2.gz AQZIESSXBQMRSU-SFHVURJKSA-N 0 3 317.477 2.976 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@H](c3cnn(C)c3)C2)cc1F ZINC000128420812 522181803 /nfs/dbraw/zinc/18/18/03/522181803.db2.gz ZRDQOCFWMZBZRI-AWEZNQCLSA-N 0 3 302.397 2.615 20 10 DFCDHN CCc1nn(C)c(OC)c1CN[C@H](CC)c1ccccc1O ZINC000156437602 522673398 /nfs/dbraw/zinc/67/33/98/522673398.db2.gz ZRVWLWCUMUDWHV-CQSZACIVSA-N 0 3 303.406 2.938 20 10 DFCDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1ccccc1[O-] ZINC000155658502 522859983 /nfs/dbraw/zinc/85/99/83/522859983.db2.gz ZJQLFDRNCDFRRJ-FUHWJXTLSA-N 0 3 319.493 2.707 20 10 DFCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](O)COCc1ccccc1 ZINC000179983031 523181711 /nfs/dbraw/zinc/18/17/11/523181711.db2.gz GOGUXKXSKBHQDA-KRWDZBQOSA-N 0 3 319.376 2.541 20 10 DFCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H](O)COCc1ccccc1 ZINC000179983031 523181721 /nfs/dbraw/zinc/18/17/21/523181721.db2.gz GOGUXKXSKBHQDA-KRWDZBQOSA-N 0 3 319.376 2.541 20 10 DFCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)COCc1ccccc1 ZINC000179983045 523182837 /nfs/dbraw/zinc/18/28/37/523182837.db2.gz GOGUXKXSKBHQDA-QGZVFWFLSA-N 0 3 319.376 2.541 20 10 DFCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)COCc1ccccc1 ZINC000179983045 523182845 /nfs/dbraw/zinc/18/28/45/523182845.db2.gz GOGUXKXSKBHQDA-QGZVFWFLSA-N 0 3 319.376 2.541 20 10 DFCDHN CN1CCc2cc(CN[C@H]3C[C@H](CO)c4ccccc43)ccc21 ZINC000364987353 523997082 /nfs/dbraw/zinc/99/70/82/523997082.db2.gz FMWIPNTTZDNMGO-APWZRJJASA-N 0 3 308.425 2.989 20 10 DFCDHN COc1ccc(CN[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1C ZINC000365660466 524091506 /nfs/dbraw/zinc/09/15/06/524091506.db2.gz GFEHBEDQQWYRDD-QZTJIDSGSA-N 0 3 319.445 2.803 20 10 DFCDHN Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000264743047 524182390 /nfs/dbraw/zinc/18/23/90/524182390.db2.gz URUPCINBBWPBML-QGZVFWFLSA-N 0 3 315.413 2.881 20 10 DFCDHN Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000264743047 524182393 /nfs/dbraw/zinc/18/23/93/524182393.db2.gz URUPCINBBWPBML-QGZVFWFLSA-N 0 3 315.413 2.881 20 10 DFCDHN COc1ccc(O)c(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000180487960 524747171 /nfs/dbraw/zinc/74/71/71/524747171.db2.gz MBJFTZQADVPNKW-GFCCVEGCSA-N 0 3 307.390 2.564 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000180487960 524747181 /nfs/dbraw/zinc/74/71/81/524747181.db2.gz MBJFTZQADVPNKW-GFCCVEGCSA-N 0 3 307.390 2.564 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000180487960 524747191 /nfs/dbraw/zinc/74/71/91/524747191.db2.gz MBJFTZQADVPNKW-GFCCVEGCSA-N 0 3 307.390 2.564 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000182447948 524762431 /nfs/dbraw/zinc/76/24/31/524762431.db2.gz GYZUWOBAJZGPDY-FZKQIMNGSA-N 0 3 301.386 2.959 20 10 DFCDHN C[C@H](NCCOCCO)c1ccc(N2CCCCCC2)cc1 ZINC000159160359 525358143 /nfs/dbraw/zinc/35/81/43/525358143.db2.gz AENWWTWVHBDBGE-INIZCTEOSA-N 0 3 306.450 2.727 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c1[O-] ZINC000181094929 526018846 /nfs/dbraw/zinc/01/88/46/526018846.db2.gz MANCNKIIRHAJIU-OAHLLOKOSA-N 0 3 321.417 2.956 20 10 DFCDHN COc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1[O-] ZINC000265150417 526023517 /nfs/dbraw/zinc/02/35/17/526023517.db2.gz OMFMZQVYSVVNIQ-KRWDZBQOSA-N 0 3 323.339 2.676 20 10 DFCDHN COc1cccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c1[O-] ZINC000181094945 526024635 /nfs/dbraw/zinc/02/46/35/526024635.db2.gz MANCNKIIRHAJIU-HNNXBMFYSA-N 0 3 321.417 2.956 20 10 DFCDHN [O-]c1ccccc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000189472617 526371348 /nfs/dbraw/zinc/37/13/48/526371348.db2.gz ASXQTQUHEDMKBU-UHFFFAOYSA-N 0 3 302.340 2.756 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@H](OCC)[C@@]23CCCO3)c1 ZINC000273570086 535752352 /nfs/dbraw/zinc/75/23/52/535752352.db2.gz GHYYKHJKEVMPSR-FGTMMUONSA-N 0 3 321.417 2.607 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@H](COC)[C@@H]2CCCO2)cc1 ZINC000278687812 535765134 /nfs/dbraw/zinc/76/51/34/535765134.db2.gz GTXCHLKUXZZPBO-QGTPRVQTSA-N 0 3 306.450 2.987 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CC[C@@H](O)c2ccccc2)cc1OC ZINC000289417119 536856176 /nfs/dbraw/zinc/85/61/76/536856176.db2.gz IQPNLNRIJBWHOG-OAHLLOKOSA-N 0 3 317.385 2.623 20 10 DFCDHN CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCCCNC1=O ZINC000009976540 398375954 /nfs/dbraw/zinc/37/59/54/398375954.db2.gz MZTPQCZCORUTOV-GOSISDBHSA-N 0 3 315.461 2.777 20 10 DFCDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092707848 185335420 /nfs/dbraw/zinc/33/54/20/185335420.db2.gz QZMQMBJRZVZPMC-AWEZNQCLSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092707848 185335421 /nfs/dbraw/zinc/33/54/21/185335421.db2.gz QZMQMBJRZVZPMC-AWEZNQCLSA-N 0 3 320.433 2.529 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000089682026 398463431 /nfs/dbraw/zinc/46/34/31/398463431.db2.gz PUDIMTGWZINARG-DNVCBOLYSA-N 0 3 317.477 2.657 20 10 DFCDHN CCCCOCCNC(=O)CN(CCC)Cc1ccccc1O ZINC000068973530 398541980 /nfs/dbraw/zinc/54/19/80/398541980.db2.gz XCCATIIZTRRJLP-UHFFFAOYSA-N 0 3 322.449 2.537 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1 ZINC000093363063 398634153 /nfs/dbraw/zinc/63/41/53/398634153.db2.gz YGGYVNPZWYZECF-MRXNPFEDSA-N 0 3 302.418 2.678 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c1 ZINC000093363063 398634156 /nfs/dbraw/zinc/63/41/56/398634156.db2.gz YGGYVNPZWYZECF-MRXNPFEDSA-N 0 3 302.418 2.678 20 10 DFCDHN COc1cccc(NC(=O)CC[N@H+](C)Cc2ccccc2[O-])c1 ZINC000072629640 191204029 /nfs/dbraw/zinc/20/40/29/191204029.db2.gz WUCLDFVSCIPCFC-UHFFFAOYSA-N 0 3 314.385 2.861 20 10 DFCDHN COc1cccc(NC(=O)CC[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000072629640 191204032 /nfs/dbraw/zinc/20/40/32/191204032.db2.gz WUCLDFVSCIPCFC-UHFFFAOYSA-N 0 3 314.385 2.861 20 10 DFCDHN CCOc1cccc(CNCc2ccc3c(c2)OCO3)c1O ZINC000236916905 202070770 /nfs/dbraw/zinc/07/07/70/202070770.db2.gz GFTURQDSEKNHRV-UHFFFAOYSA-N 0 3 301.342 2.809 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)C(C)C)CC2)cc1C ZINC000077441288 398904101 /nfs/dbraw/zinc/90/41/01/398904101.db2.gz OJBKQWQFMBLXGE-UHFFFAOYSA-N 0 3 304.434 2.746 20 10 DFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CCO)c1[O-] ZINC000187227234 291662291 /nfs/dbraw/zinc/66/22/91/291662291.db2.gz MBFGIFMBRAXOKH-NXEZZACHSA-N 0 3 302.212 2.885 20 10 DFCDHN C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccccc1[O-] ZINC000272919403 130075401 /nfs/dbraw/zinc/07/54/01/130075401.db2.gz XVYYXNIILHDMRL-OAHLLOKOSA-N 0 3 304.434 2.688 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@H](C3(C)OCCO3)C2)cc1F ZINC000273128306 130091613 /nfs/dbraw/zinc/09/16/13/130091613.db2.gz AZIMUQKAKHCDPV-HNNXBMFYSA-N 0 3 322.424 2.867 20 10 DFCDHN Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000273429314 130120310 /nfs/dbraw/zinc/12/03/10/130120310.db2.gz VFRZDXHTVXJOMG-ZDUSSCGKSA-N 0 3 316.376 2.920 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])[C@@]12CCCO2 ZINC000274215001 130217941 /nfs/dbraw/zinc/21/79/41/130217941.db2.gz NJICUPTZWMVGCF-IUHNQTRMSA-N 0 3 321.417 2.778 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c([O-])c1 ZINC000284249012 131062901 /nfs/dbraw/zinc/06/29/01/131062901.db2.gz VNHDCLWTQGKGRA-HNNXBMFYSA-N 0 3 306.450 2.770 20 10 DFCDHN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cc(C)ccc1O ZINC000284504636 131087358 /nfs/dbraw/zinc/08/73/58/131087358.db2.gz CSQSVQICQKGQKX-XYJFISCASA-N 0 3 305.418 2.717 20 10 DFCDHN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000285182158 131145422 /nfs/dbraw/zinc/14/54/22/131145422.db2.gz QFHGJXZERNWETM-HNNXBMFYSA-N 0 3 321.440 2.772 20 10 DFCDHN Nc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000298569594 132068502 /nfs/dbraw/zinc/06/85/02/132068502.db2.gz IQABTVHONVGIQO-INIZCTEOSA-N 0 3 313.401 2.551 20 10 DFCDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000125960977 425998620 /nfs/dbraw/zinc/99/86/20/425998620.db2.gz MLJLKXWEECRSIS-HNNXBMFYSA-N 0 3 321.440 2.630 20 10 DFCDHN CCOC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976561 425979314 /nfs/dbraw/zinc/97/93/14/425979314.db2.gz MWZXOEPKYBAGMN-MRXNPFEDSA-N 0 3 321.417 2.717 20 10 DFCDHN CCOC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976561 425979317 /nfs/dbraw/zinc/97/93/17/425979317.db2.gz MWZXOEPKYBAGMN-MRXNPFEDSA-N 0 3 321.417 2.717 20 10 DFCDHN C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1[O-] ZINC000109773182 426033128 /nfs/dbraw/zinc/03/31/28/426033128.db2.gz ILRWJWAAVHOVNM-UHFFFAOYSA-N 0 3 302.330 2.811 20 10 DFCDHN C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1[O-] ZINC000109773182 426033133 /nfs/dbraw/zinc/03/31/33/426033133.db2.gz ILRWJWAAVHOVNM-UHFFFAOYSA-N 0 3 302.330 2.811 20 10 DFCDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167863744 426133222 /nfs/dbraw/zinc/13/32/22/426133222.db2.gz RADKVCDXRGILJX-SFHVURJKSA-N 0 3 317.477 2.913 20 10 DFCDHN CC[C@H](N[C@@H](C)CS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000089636620 426300161 /nfs/dbraw/zinc/30/01/61/426300161.db2.gz IVROLALFKPNLAJ-BBRMVZONSA-N 0 3 312.479 2.617 20 10 DFCDHN CC[C@@H](N[C@H](C)CS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000089636625 426300457 /nfs/dbraw/zinc/30/04/57/426300457.db2.gz IVROLALFKPNLAJ-CZUORRHYSA-N 0 3 312.479 2.617 20 10 DFCDHN CCn1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000151069229 426276172 /nfs/dbraw/zinc/27/61/72/426276172.db2.gz FYCUFIMIFDMIAX-HNNXBMFYSA-N 0 3 314.433 2.590 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Nc3ccccc3)C1)OCO2 ZINC000092758273 426351778 /nfs/dbraw/zinc/35/17/78/426351778.db2.gz OGHNBQACSFAGFA-OAHLLOKOSA-N 0 3 312.369 2.807 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Nc3ccccc3)C1)OCO2 ZINC000092758273 426351781 /nfs/dbraw/zinc/35/17/81/426351781.db2.gz OGHNBQACSFAGFA-OAHLLOKOSA-N 0 3 312.369 2.807 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1C ZINC000093011470 426353595 /nfs/dbraw/zinc/35/35/95/426353595.db2.gz POCRSTRHFGSKDG-GOSISDBHSA-N 0 3 318.461 2.696 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1C ZINC000093011470 426353597 /nfs/dbraw/zinc/35/35/97/426353597.db2.gz POCRSTRHFGSKDG-GOSISDBHSA-N 0 3 318.461 2.696 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c([O-])c1 ZINC000093813904 426357458 /nfs/dbraw/zinc/35/74/58/426357458.db2.gz XUSKZFUTNNZYNC-KRWDZBQOSA-N 0 3 307.390 2.566 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@](C)(C(=O)OC)C2)c([O-])c1 ZINC000093813904 426357462 /nfs/dbraw/zinc/35/74/62/426357462.db2.gz XUSKZFUTNNZYNC-KRWDZBQOSA-N 0 3 307.390 2.566 20 10 DFCDHN CCOc1cccc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)c1[O-] ZINC000093639029 426358192 /nfs/dbraw/zinc/35/81/92/426358192.db2.gz ZEKGEENYDNRFEN-ZBFHGGJFSA-N 0 3 306.450 2.953 20 10 DFCDHN CCOc1cccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)c1[O-] ZINC000093639029 426358193 /nfs/dbraw/zinc/35/81/93/426358193.db2.gz ZEKGEENYDNRFEN-ZBFHGGJFSA-N 0 3 306.450 2.953 20 10 DFCDHN CN(C)c1ccc(CN2CCC(N3CCCCC3=O)CC2)cc1 ZINC000093741416 426358496 /nfs/dbraw/zinc/35/84/96/426358496.db2.gz HHOYWMHZVPEDIO-UHFFFAOYSA-N 0 3 315.461 2.730 20 10 DFCDHN CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000176980883 426431087 /nfs/dbraw/zinc/43/10/87/426431087.db2.gz PBCINUJJBSZQJT-LLVKDONJSA-N 0 3 310.369 2.803 20 10 DFCDHN CCCNC(=O)C1([NH2+]Cc2cc(F)ccc2[O-])CCCCC1 ZINC000154542186 426444521 /nfs/dbraw/zinc/44/45/21/426444521.db2.gz RIPDTQHQDDCPIK-UHFFFAOYSA-N 0 3 308.397 2.850 20 10 DFCDHN Cc1ccc(O)c(CN[C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000154691314 426450436 /nfs/dbraw/zinc/45/04/36/426450436.db2.gz UZDSSKHYLFXWAR-HRAATJIYSA-N 0 3 303.427 2.910 20 10 DFCDHN Cc1cc(O)c(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1C ZINC000123691311 426449485 /nfs/dbraw/zinc/44/94/85/426449485.db2.gz RHWPOAJFSCDCIS-OCCSQVGLSA-N 0 3 303.324 2.897 20 10 DFCDHN C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000186149808 426488649 /nfs/dbraw/zinc/48/86/49/426488649.db2.gz POCSEYYMNGVLDP-CQSZACIVSA-N 0 3 319.445 2.711 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(C)cc1[O-] ZINC000280146919 426507289 /nfs/dbraw/zinc/50/72/89/426507289.db2.gz PYDWLSACSHCOPN-HOCLYGCPSA-N 0 3 321.417 2.663 20 10 DFCDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186356337 426513222 /nfs/dbraw/zinc/51/32/22/426513222.db2.gz ZMOYUBFWIVVBMQ-ZBFHGGJFSA-N 0 3 322.449 2.529 20 10 DFCDHN CC[C@@H]([NH2+]C1CCN(CCOC)CC1)c1ccc(C)cc1[O-] ZINC000280142341 426505218 /nfs/dbraw/zinc/50/52/18/426505218.db2.gz PSNKEACXLZSTNV-QGZVFWFLSA-N 0 3 306.450 2.852 20 10 DFCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000280400506 426566422 /nfs/dbraw/zinc/56/64/22/426566422.db2.gz XSDPSLZUDRXRGX-AUUYWEPGSA-N 0 3 313.397 2.925 20 10 DFCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000280400506 426566425 /nfs/dbraw/zinc/56/64/25/426566425.db2.gz XSDPSLZUDRXRGX-AUUYWEPGSA-N 0 3 313.397 2.925 20 10 DFCDHN CN(C)C/C=C/C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000264624566 426575407 /nfs/dbraw/zinc/57/54/07/426575407.db2.gz MDJPUYLFWHPACU-BQYQJAHWSA-N 0 3 315.461 2.753 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000280584348 426606120 /nfs/dbraw/zinc/60/61/20/426606120.db2.gz WYUZXUPALRHGNC-DEYYWGMASA-N 0 3 321.417 2.559 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CCO)C(C)(C)C)c1[O-] ZINC000231075074 426651672 /nfs/dbraw/zinc/65/16/72/426651672.db2.gz QZLSJHKLJOMIDG-ZDUSSCGKSA-N 0 3 301.814 2.941 20 10 DFCDHN COc1ccc([O-])c(C[N@H+](C)CCCN(C)Cc2ccco2)c1 ZINC000289814532 426675374 /nfs/dbraw/zinc/67/53/74/426675374.db2.gz NTUYLYZNZBZRSX-UHFFFAOYSA-N 0 3 318.417 2.948 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+](C)CCCN(C)Cc2ccco2)c1 ZINC000289814532 426675376 /nfs/dbraw/zinc/67/53/76/426675376.db2.gz NTUYLYZNZBZRSX-UHFFFAOYSA-N 0 3 318.417 2.948 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289897874 426676768 /nfs/dbraw/zinc/67/67/68/426676768.db2.gz WRFPQRLLDVYBOL-CHWSQXEVSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289897874 426676773 /nfs/dbraw/zinc/67/67/73/426676773.db2.gz WRFPQRLLDVYBOL-CHWSQXEVSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289897874 426676777 /nfs/dbraw/zinc/67/67/77/426676777.db2.gz WRFPQRLLDVYBOL-CHWSQXEVSA-N 0 3 303.324 2.693 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1ccc(C)cc1[O-] ZINC000280888436 426677821 /nfs/dbraw/zinc/67/78/21/426677821.db2.gz DZWUUWCMEBAAPA-DOTOQJQBSA-N 0 3 304.434 3.000 20 10 DFCDHN CCN(CC)c1ccc(CN2CC[C@](C)(C(=O)NC)C2)cc1F ZINC000281150440 426702972 /nfs/dbraw/zinc/70/29/72/426702972.db2.gz PAHHCIZSZJWXTC-SFHVURJKSA-N 0 3 321.440 2.630 20 10 DFCDHN Cc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1[O-] ZINC000281239425 426707007 /nfs/dbraw/zinc/70/70/07/426707007.db2.gz LODRHSQROQJXSA-UHFFFAOYSA-N 0 3 303.431 2.916 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c([O-])c1C ZINC000280943188 426692151 /nfs/dbraw/zinc/69/21/51/426692151.db2.gz JAFSUGOEFRUCMS-ZDUSSCGKSA-N 0 3 311.447 2.627 20 10 DFCDHN Cc1ccc([C@H](C)NCC2(S(C)(=O)=O)CCC2)c(O)c1C ZINC000280943188 426692156 /nfs/dbraw/zinc/69/21/56/426692156.db2.gz JAFSUGOEFRUCMS-ZDUSSCGKSA-N 0 3 311.447 2.627 20 10 DFCDHN COc1cccc(CN[C@H](CN(C)C)c2ccc(F)cc2)c1O ZINC000290103824 426693468 /nfs/dbraw/zinc/69/34/68/426693468.db2.gz KMQNAAXYWZUJJQ-MRXNPFEDSA-N 0 3 318.392 2.932 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)NCC2(S(C)(=O)=O)CCC2)cc1 ZINC000280975772 426698629 /nfs/dbraw/zinc/69/86/29/426698629.db2.gz LPINNOVKXSYDBV-CQSZACIVSA-N 0 3 324.490 2.761 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1OC ZINC000290486963 426775892 /nfs/dbraw/zinc/77/58/92/426775892.db2.gz OKQKSGBGTHVKGR-MDASCCDHSA-N 0 3 311.381 2.837 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000290525172 426783729 /nfs/dbraw/zinc/78/37/29/426783729.db2.gz ZCVJCKYVTPKWJZ-BKGUAONASA-N 0 3 315.369 2.546 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000290525172 426783732 /nfs/dbraw/zinc/78/37/32/426783732.db2.gz ZCVJCKYVTPKWJZ-BKGUAONASA-N 0 3 315.369 2.546 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246201522 426808573 /nfs/dbraw/zinc/80/85/73/426808573.db2.gz JDCVSHPLUADGQW-MOPGFXCFSA-N 0 3 313.397 2.925 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246201522 426808577 /nfs/dbraw/zinc/80/85/77/426808577.db2.gz JDCVSHPLUADGQW-MOPGFXCFSA-N 0 3 313.397 2.925 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179465749 426792183 /nfs/dbraw/zinc/79/21/83/426792183.db2.gz COLVUIVAAREVMC-OAHLLOKOSA-N 0 3 308.385 2.974 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179465749 426792188 /nfs/dbraw/zinc/79/21/88/426792188.db2.gz COLVUIVAAREVMC-OAHLLOKOSA-N 0 3 308.385 2.974 20 10 DFCDHN COc1ccc(O)c(CN2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000290879477 426862526 /nfs/dbraw/zinc/86/25/26/426862526.db2.gz KRXPAWVNRNDTIS-ZDUSSCGKSA-N 0 3 307.781 2.698 20 10 DFCDHN CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000291438664 426886015 /nfs/dbraw/zinc/88/60/15/426886015.db2.gz BRWYKVXWOCXCNO-CYBMUJFWSA-N 0 3 310.438 2.619 20 10 DFCDHN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(F)ccc1[O-] ZINC000282957866 426933053 /nfs/dbraw/zinc/93/30/53/426933053.db2.gz CIIZDWBBGDKVHB-OGHNNQOOSA-N 0 3 323.408 2.750 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(F)ccc1[O-] ZINC000282957860 426934840 /nfs/dbraw/zinc/93/48/40/426934840.db2.gz CIIZDWBBGDKVHB-GDZNZVCISA-N 0 3 323.408 2.750 20 10 DFCDHN CCOC(CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-])OCC ZINC000276184002 427000024 /nfs/dbraw/zinc/00/00/24/427000024.db2.gz LHRVQXYWUHSTHR-UHFFFAOYSA-N 0 3 317.813 2.933 20 10 DFCDHN CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296080795 427068913 /nfs/dbraw/zinc/06/89/13/427068913.db2.gz SNHXKMDIBQFBJI-INIZCTEOSA-N 0 3 310.397 2.628 20 10 DFCDHN COc1ccc(N2CCCN(C[C@H]3CCC=CO3)CC2)cc1 ZINC000248995594 427074221 /nfs/dbraw/zinc/07/42/21/427074221.db2.gz OWXVXKKGBGGYHA-GOSISDBHSA-N 0 3 302.418 2.900 20 10 DFCDHN CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268743077 427109335 /nfs/dbraw/zinc/10/93/35/427109335.db2.gz SYLNGBQECGDLCI-GJZGRUSLSA-N 0 3 303.450 2.852 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC000252847652 427196553 /nfs/dbraw/zinc/19/65/53/427196553.db2.gz HLZQKKJXHLQPAR-AWEZNQCLSA-N 0 3 310.825 2.724 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[N@H+]3CCC[C@H]3C2)c1[O-] ZINC000252847652 427196557 /nfs/dbraw/zinc/19/65/57/427196557.db2.gz HLZQKKJXHLQPAR-AWEZNQCLSA-N 0 3 310.825 2.724 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)c1[O-] ZINC000293093520 427214957 /nfs/dbraw/zinc/21/49/57/427214957.db2.gz XEQAGGPTIYODED-GOSISDBHSA-N 0 3 320.408 2.652 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)c1[O-] ZINC000293093520 427214961 /nfs/dbraw/zinc/21/49/61/427214961.db2.gz XEQAGGPTIYODED-GOSISDBHSA-N 0 3 320.408 2.652 20 10 DFCDHN COCCOC1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCOCC1 ZINC000296617344 427226708 /nfs/dbraw/zinc/22/67/08/427226708.db2.gz WQVNBTKEFDJILB-OAHLLOKOSA-N 0 3 323.433 2.563 20 10 DFCDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183498079 427280957 /nfs/dbraw/zinc/28/09/57/427280957.db2.gz FFZJNQZDQCDMEF-VXGBXAGGSA-N 0 3 323.339 2.761 20 10 DFCDHN COc1cc(O)c(CN(C)[C@H](C)c2cccnc2)cc1OC ZINC000183719469 427327614 /nfs/dbraw/zinc/32/76/14/427327614.db2.gz DOXOITZGTIKQEQ-GFCCVEGCSA-N 0 3 302.374 2.997 20 10 DFCDHN CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000270631823 427364407 /nfs/dbraw/zinc/36/44/07/427364407.db2.gz HTGRZVGBBYNXDV-BLLLJJGKSA-N 0 3 307.390 2.804 20 10 DFCDHN NC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271003270 427367604 /nfs/dbraw/zinc/36/76/04/427367604.db2.gz MCEAOMACQUCAOR-UHFFFAOYSA-N 0 3 310.397 2.757 20 10 DFCDHN CN(Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCN(C)C1=O ZINC000271207638 427448972 /nfs/dbraw/zinc/44/89/72/427448972.db2.gz SJHMGVWYWMAAIH-QGZVFWFLSA-N 0 3 310.397 2.722 20 10 DFCDHN CC[C@H](N[C@H](COC)[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000278806025 427461622 /nfs/dbraw/zinc/46/16/22/427461622.db2.gz NENMRTLOOGCHJP-RCCFBDPRSA-N 0 3 306.450 2.987 20 10 DFCDHN C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000278814859 427462781 /nfs/dbraw/zinc/46/27/81/427462781.db2.gz ZUZKSFDYOZFXHZ-KBPBESRZSA-N 0 3 310.413 2.683 20 10 DFCDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297674753 427428112 /nfs/dbraw/zinc/42/81/12/427428112.db2.gz LGVRCSAYCWHRST-KBPBESRZSA-N 0 3 318.417 2.979 20 10 DFCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC000278306749 427428298 /nfs/dbraw/zinc/42/82/98/427428298.db2.gz DWTTVJYKJFXOEH-JSGCOSHPSA-N 0 3 306.406 2.737 20 10 DFCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC000278306749 427428304 /nfs/dbraw/zinc/42/83/04/427428304.db2.gz DWTTVJYKJFXOEH-JSGCOSHPSA-N 0 3 306.406 2.737 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278428493 427439414 /nfs/dbraw/zinc/43/94/14/427439414.db2.gz JDSRYDCGMOTREG-LSDHHAIUSA-N 0 3 314.433 2.754 20 10 DFCDHN COC(=O)C[C@](C)(NCc1cccc(C)c1O)c1ccncc1 ZINC000191905038 427441355 /nfs/dbraw/zinc/44/13/55/427441355.db2.gz BDOCEQXBYHDVCW-SFHVURJKSA-N 0 3 314.385 2.664 20 10 DFCDHN CC(C)C(=O)NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263694078 427544919 /nfs/dbraw/zinc/54/49/19/427544919.db2.gz PSVFHQKMVOYKLS-UHFFFAOYSA-N 0 3 312.413 2.921 20 10 DFCDHN C[C@@H]([NH2+]CCCN1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000184838002 427550185 /nfs/dbraw/zinc/55/01/85/427550185.db2.gz PHAGLGBQQXJFDU-OAHLLOKOSA-N 0 3 318.461 2.644 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000192843191 427622352 /nfs/dbraw/zinc/62/23/52/427622352.db2.gz GQQLLAHWAXLEHI-CQSZACIVSA-N 0 3 304.434 2.998 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c([O-])c1 ZINC000184955875 427569184 /nfs/dbraw/zinc/56/91/84/427569184.db2.gz XGISRQRIMXEQCE-AWEZNQCLSA-N 0 3 314.433 2.912 20 10 DFCDHN Cc1cccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1[O-] ZINC000271793970 427585125 /nfs/dbraw/zinc/58/51/25/427585125.db2.gz HISKQWJSOCGLEM-MRXNPFEDSA-N 0 3 310.397 2.875 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000271771989 427585157 /nfs/dbraw/zinc/58/51/57/427585157.db2.gz DJJKQTCMKAQFAG-GTNSWQLSSA-N 0 3 305.349 2.924 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CCCc2nccs2)cc1OC ZINC000271979134 427606475 /nfs/dbraw/zinc/60/64/75/427606475.db2.gz LXBGNZDBADEPTG-UHFFFAOYSA-N 0 3 308.403 2.588 20 10 DFCDHN COCCCN1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185314776 427632825 /nfs/dbraw/zinc/63/28/25/427632825.db2.gz RMBWSYGIHCSAER-CYBMUJFWSA-N 0 3 310.413 2.683 20 10 DFCDHN Cc1cc(CN2CCCN(C(=O)C3CC3)CC2)ccc1N(C)C ZINC000294711428 427649226 /nfs/dbraw/zinc/64/92/26/427649226.db2.gz VDSLSTFCOZOVHR-UHFFFAOYSA-N 0 3 315.461 2.505 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294686000 427649590 /nfs/dbraw/zinc/64/95/90/427649590.db2.gz BYVZOLHYLZWBRB-CQSZACIVSA-N 0 3 304.434 2.814 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294686000 427649596 /nfs/dbraw/zinc/64/95/96/427649596.db2.gz BYVZOLHYLZWBRB-CQSZACIVSA-N 0 3 304.434 2.814 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000295002137 427670141 /nfs/dbraw/zinc/67/01/41/427670141.db2.gz LMWXUTPFRWRUMY-NVXWUHKLSA-N 0 3 302.349 2.936 20 10 DFCDHN CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(C)ccc1O ZINC000185866198 427720832 /nfs/dbraw/zinc/72/08/32/427720832.db2.gz VZOCSJBKHYTEFG-LBPRGKRZSA-N 0 3 303.406 2.856 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000186021907 427741054 /nfs/dbraw/zinc/74/10/54/427741054.db2.gz LJZCPTFKYQLDTJ-PWSUYJOCSA-N 0 3 316.323 2.514 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CCCCO ZINC000194530987 427747638 /nfs/dbraw/zinc/74/76/38/427747638.db2.gz XGSLZTAIKVYFCD-UHFFFAOYSA-N 0 3 301.386 2.833 20 10 DFCDHN CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000370073882 428128297 /nfs/dbraw/zinc/12/82/97/428128297.db2.gz ROWUJXJOANKPKT-LBPRGKRZSA-N 0 3 304.369 2.522 20 10 DFCDHN CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000370073882 428128303 /nfs/dbraw/zinc/12/83/03/428128303.db2.gz ROWUJXJOANKPKT-LBPRGKRZSA-N 0 3 304.369 2.522 20 10 DFCDHN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000370728450 428285706 /nfs/dbraw/zinc/28/57/06/428285706.db2.gz AUNWIWUOVCJLDB-NSHDSACASA-N 0 3 322.206 2.525 20 10 DFCDHN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000370728450 428285709 /nfs/dbraw/zinc/28/57/09/428285709.db2.gz AUNWIWUOVCJLDB-NSHDSACASA-N 0 3 322.206 2.525 20 10 DFCDHN Cc1occc1C(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000370769450 428297256 /nfs/dbraw/zinc/29/72/56/428297256.db2.gz BJWDSCPJBXXXBH-UHFFFAOYSA-N 0 3 314.385 2.688 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000360443705 428301891 /nfs/dbraw/zinc/30/18/91/428301891.db2.gz DBBJMSXZYAQWDH-IBGZPJMESA-N 0 3 314.404 2.985 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371402924 428389609 /nfs/dbraw/zinc/38/96/09/428389609.db2.gz FPYIURFMEWVYFC-KBMXLJTQSA-N 0 3 306.837 2.962 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371402924 428389611 /nfs/dbraw/zinc/38/96/11/428389611.db2.gz FPYIURFMEWVYFC-KBMXLJTQSA-N 0 3 306.837 2.962 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000371875496 428406621 /nfs/dbraw/zinc/40/66/21/428406621.db2.gz CFNFAHQJDHAKLL-CYBMUJFWSA-N 0 3 313.397 2.581 20 10 DFCDHN Oc1cc2c(cc1CN1CC[C@@H](O)c3ccccc3C1)OCO2 ZINC000371877515 428406656 /nfs/dbraw/zinc/40/66/56/428406656.db2.gz WVPANIIMWCAOAU-OAHLLOKOSA-N 0 3 313.353 2.560 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2N2CCOCC2)c([O-])c1 ZINC000371870276 428407059 /nfs/dbraw/zinc/40/70/59/428407059.db2.gz OXWJLLLDYPOIDH-JZXOWHBKSA-N 0 3 318.461 2.852 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000372597437 428470121 /nfs/dbraw/zinc/47/01/21/428470121.db2.gz ZFQTYWPMCZJWSJ-ZIAGYGMSSA-N 0 3 301.390 2.995 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000372597437 428470126 /nfs/dbraw/zinc/47/01/26/428470126.db2.gz ZFQTYWPMCZJWSJ-ZIAGYGMSSA-N 0 3 301.390 2.995 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000372721222 428492790 /nfs/dbraw/zinc/49/27/90/428492790.db2.gz VUBVGQFHTLDYNH-AWEZNQCLSA-N 0 3 321.417 2.733 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000372721222 428492797 /nfs/dbraw/zinc/49/27/97/428492797.db2.gz VUBVGQFHTLDYNH-AWEZNQCLSA-N 0 3 321.417 2.733 20 10 DFCDHN C[C@@H]1CC2(CCC2)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000373017612 428511615 /nfs/dbraw/zinc/51/16/15/428511615.db2.gz DLLHVKRAOODLDH-OAHLLOKOSA-N 0 3 315.461 2.633 20 10 DFCDHN CN(C)c1ccc(CN2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC000362099847 428621677 /nfs/dbraw/zinc/62/16/77/428621677.db2.gz UCAZVRJOOUUMMM-UHFFFAOYSA-N 0 3 315.461 2.633 20 10 DFCDHN C[C@@H]1C[C@]2(CCO1)CN(Cc1ccc(N(C)C)cc1)C[C@H](C)O2 ZINC000374014462 428660088 /nfs/dbraw/zinc/66/00/88/428660088.db2.gz OBRJUSJFVFVPDK-JTDSTZFVSA-N 0 3 318.461 2.911 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)c([O-])c1C ZINC000374514803 428690942 /nfs/dbraw/zinc/69/09/42/428690942.db2.gz PTWDDNUWGILKJJ-IMJJTQAJSA-N 0 3 302.418 2.813 20 10 DFCDHN C[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(F)ccc1[O-] ZINC000363855233 428999547 /nfs/dbraw/zinc/99/95/47/428999547.db2.gz NDFWXRLUDUVYNI-LBPRGKRZSA-N 0 3 312.348 2.963 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1[O-] ZINC000364074912 429167841 /nfs/dbraw/zinc/16/78/41/429167841.db2.gz UUEOLFNAGHWAQF-INIZCTEOSA-N 0 3 302.418 2.678 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1[O-] ZINC000364074912 429167844 /nfs/dbraw/zinc/16/78/44/429167844.db2.gz UUEOLFNAGHWAQF-INIZCTEOSA-N 0 3 302.418 2.678 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000368136249 429794970 /nfs/dbraw/zinc/79/49/70/429794970.db2.gz UGDBREWEWAHEEB-OAHLLOKOSA-N 0 3 315.417 2.904 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000368136249 429794973 /nfs/dbraw/zinc/79/49/73/429794973.db2.gz UGDBREWEWAHEEB-OAHLLOKOSA-N 0 3 315.417 2.904 20 10 DFCDHN C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(F)ccc1[O-] ZINC000528013369 429836066 /nfs/dbraw/zinc/83/60/66/429836066.db2.gz CPSDWVJBAKMMIL-GFCCVEGCSA-N 0 3 308.397 2.831 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000369291504 429922520 /nfs/dbraw/zinc/92/25/20/429922520.db2.gz AKRRDWDDPIJDNW-QGZVFWFLSA-N 0 3 310.397 2.591 20 10 DFCDHN Cc1ccc(O)c(CN[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000369291504 429922521 /nfs/dbraw/zinc/92/25/21/429922521.db2.gz AKRRDWDDPIJDNW-QGZVFWFLSA-N 0 3 310.397 2.591 20 10 DFCDHN COc1cc(O)c(CNCc2ccccc2N(C)C)cc1OC ZINC000271988390 277833533 /nfs/dbraw/zinc/83/35/33/277833533.db2.gz PSBBAVPGAVONCJ-UHFFFAOYSA-N 0 3 316.401 2.765 20 10 DFCDHN C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@H](C)O1 ZINC000295872225 288067713 /nfs/dbraw/zinc/06/77/13/288067713.db2.gz HDVIYBWPKFNXIF-IJEWVQPXSA-N 0 3 318.461 2.857 20 10 DFCDHN COc1ccc2c(c1)CCN2C(=O)c1cccc2c1CCNC2 ZINC000662549702 431114062 /nfs/dbraw/zinc/11/40/62/431114062.db2.gz VKSJLNMLRSFMQG-UHFFFAOYSA-N 0 3 308.381 2.544 20 10 DFCDHN O=C(c1cccc2c1CCNC2)N1CCc2cc(F)c(F)cc21 ZINC000662482212 431093697 /nfs/dbraw/zinc/09/36/97/431093697.db2.gz UUIXMQCAEQNFSH-UHFFFAOYSA-N 0 3 314.335 2.813 20 10 DFCDHN CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000296645280 279025062 /nfs/dbraw/zinc/02/50/62/279025062.db2.gz YLHAEDWTLVZVPH-PBHICJAKSA-N 0 3 305.466 2.906 20 10 DFCDHN C[C@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc2O1 ZINC000662594357 431128435 /nfs/dbraw/zinc/12/84/35/431128435.db2.gz QBRSQDIOUKARPV-ZDUSSCGKSA-N 0 3 308.381 2.760 20 10 DFCDHN C[C@H](C[S@](C)=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280444473 279375981 /nfs/dbraw/zinc/37/59/81/279375981.db2.gz YKECCDWWBFJDOC-UZJPJQLHSA-N 0 3 322.396 2.628 20 10 DFCDHN CC[C@@H](COC)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152976567 280153460 /nfs/dbraw/zinc/15/34/60/280153460.db2.gz ZLJOLJIQLJCEDR-ZFWWWQNUSA-N 0 3 310.413 2.738 20 10 DFCDHN Cc1cc(N2CCC([NH2+][C@H](C)c3ccccc3[O-])CC2)n[nH]1 ZINC000275847398 301332115 /nfs/dbraw/zinc/33/21/15/301332115.db2.gz HSNBDGGQMNBXBZ-CYBMUJFWSA-N 0 3 300.406 2.743 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000368038420 332202947 /nfs/dbraw/zinc/20/29/47/332202947.db2.gz COTYPQDLKWRYEI-HNNXBMFYSA-N 0 3 300.406 2.697 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000293315930 335103768 /nfs/dbraw/zinc/10/37/68/335103768.db2.gz FKANPFGVGWVDJL-WDBKCZKBSA-N 0 3 315.410 2.538 20 10 DFCDHN CC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000293899154 335115385 /nfs/dbraw/zinc/11/53/85/335115385.db2.gz ZNESOUWEDKSLRZ-ONGXEEELSA-N 0 3 302.212 2.885 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1[O-] ZINC000293945758 335115984 /nfs/dbraw/zinc/11/59/84/335115984.db2.gz OQMBSUSUZAYROY-AWEZNQCLSA-N 0 3 311.809 2.934 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](O)C23CCCC3)c1[O-] ZINC000293945758 335115986 /nfs/dbraw/zinc/11/59/86/335115986.db2.gz OQMBSUSUZAYROY-AWEZNQCLSA-N 0 3 311.809 2.934 20 10 DFCDHN COc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1[O-] ZINC000293782518 335117162 /nfs/dbraw/zinc/11/71/62/335117162.db2.gz ZHYFEUXPCSODFZ-KRWDZBQOSA-N 0 3 303.402 2.792 20 10 DFCDHN COc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1[O-] ZINC000293782518 335117164 /nfs/dbraw/zinc/11/71/64/335117164.db2.gz ZHYFEUXPCSODFZ-KRWDZBQOSA-N 0 3 303.402 2.792 20 10 DFCDHN C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(F)ccc1[O-] ZINC000185492767 333209253 /nfs/dbraw/zinc/20/92/53/333209253.db2.gz DRDAVUUZYKBGBE-ZIAGYGMSSA-N 0 3 322.424 2.683 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c([O-])c1 ZINC000185492319 333209332 /nfs/dbraw/zinc/20/93/32/333209332.db2.gz DBJPXTAWJMIBRQ-CVEARBPZSA-N 0 3 318.461 2.852 20 10 DFCDHN CC[C@H](CO)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000295078597 335131578 /nfs/dbraw/zinc/13/15/78/335131578.db2.gz HZDZTIXZYNLXEV-GFCCVEGCSA-N 0 3 302.212 2.666 20 10 DFCDHN CC[C@H](CO)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000295078597 335131579 /nfs/dbraw/zinc/13/15/79/335131579.db2.gz HZDZTIXZYNLXEV-GFCCVEGCSA-N 0 3 302.212 2.666 20 10 DFCDHN O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1c1ccccc1 ZINC000295799694 335138173 /nfs/dbraw/zinc/13/81/73/335138173.db2.gz CAKRBEKQEIQPCK-GDBMZVCRSA-N 0 3 308.381 2.775 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1 ZINC000295063756 334216527 /nfs/dbraw/zinc/21/65/27/334216527.db2.gz GUJJKAPCYQQGNA-FOLVSLTJSA-N 0 3 318.417 2.656 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000192914427 336284249 /nfs/dbraw/zinc/28/42/49/336284249.db2.gz MZRADFYJQUFRJE-DOMZBBRYSA-N 0 3 304.390 2.947 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000368477086 336845734 /nfs/dbraw/zinc/84/57/34/336845734.db2.gz BJKLSCVKYFJBAX-ZDUSSCGKSA-N 0 3 315.417 2.827 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1[O-] ZINC000370083090 336877295 /nfs/dbraw/zinc/87/72/95/336877295.db2.gz PIZAXLKNWMTBMY-UHFFFAOYSA-N 0 3 322.836 2.798 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC000375012119 337001554 /nfs/dbraw/zinc/00/15/54/337001554.db2.gz KCNDSKDIRPQTQC-QGZVFWFLSA-N 0 3 316.445 2.925 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC000375012119 337001555 /nfs/dbraw/zinc/00/15/55/337001555.db2.gz KCNDSKDIRPQTQC-QGZVFWFLSA-N 0 3 316.445 2.925 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)c1 ZINC000375346198 337008617 /nfs/dbraw/zinc/00/86/17/337008617.db2.gz YILSBSPGNAEXFN-AWEZNQCLSA-N 0 3 312.413 2.799 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(C)cc1[O-] ZINC000375651557 337015579 /nfs/dbraw/zinc/01/55/79/337015579.db2.gz YUCBKHKKOHMEJJ-PBHICJAKSA-N 0 3 314.433 2.754 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000375862056 337021769 /nfs/dbraw/zinc/02/17/69/337021769.db2.gz SCWHQSQLLUPFQG-MSOLQXFVSA-N 0 3 316.445 2.984 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000375862056 337021770 /nfs/dbraw/zinc/02/17/70/337021770.db2.gz SCWHQSQLLUPFQG-MSOLQXFVSA-N 0 3 316.445 2.984 20 10 DFCDHN CCOc1cccc(CNCc2cnc3n2CCCC3)c1O ZINC000376730559 337040169 /nfs/dbraw/zinc/04/01/69/337040169.db2.gz YMTRPEYHZJHKMX-UHFFFAOYSA-N 0 3 301.390 2.614 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1 ZINC000377543101 337054705 /nfs/dbraw/zinc/05/47/05/337054705.db2.gz PIWYCMVACLODSB-RKLWJJNISA-N 0 3 318.417 2.580 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1 ZINC000377543101 337054706 /nfs/dbraw/zinc/05/47/06/337054706.db2.gz PIWYCMVACLODSB-RKLWJJNISA-N 0 3 318.417 2.580 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(CCCOC)CC1 ZINC000377614021 337056131 /nfs/dbraw/zinc/05/61/31/337056131.db2.gz GSSSYQZLHHZSPK-KRWDZBQOSA-N 0 3 306.450 2.888 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(CCCOC)CC1 ZINC000377614021 337056132 /nfs/dbraw/zinc/05/61/32/337056132.db2.gz GSSSYQZLHHZSPK-KRWDZBQOSA-N 0 3 306.450 2.888 20 10 DFCDHN CCOc1ccc(O)c(CN2CC=C(c3ccnn3C)CC2)c1 ZINC000377709321 337059317 /nfs/dbraw/zinc/05/93/17/337059317.db2.gz YFNDFTJCQWETSF-UHFFFAOYSA-N 0 3 313.401 2.814 20 10 DFCDHN CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2[O-])C[C@@H]1N1CCOCC1 ZINC000378340888 337070342 /nfs/dbraw/zinc/07/03/42/337070342.db2.gz IXQPJAHJJQVUGG-AEFFLSMTSA-N 0 3 318.461 2.552 20 10 DFCDHN CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2[O-])C[C@@H]1N1CCOCC1 ZINC000378340888 337070343 /nfs/dbraw/zinc/07/03/43/337070343.db2.gz IXQPJAHJJQVUGG-AEFFLSMTSA-N 0 3 318.461 2.552 20 10 DFCDHN CCc1nc([C@H]2CCCN(Cc3cccc(OC)c3O)C2)no1 ZINC000378347068 337070686 /nfs/dbraw/zinc/07/06/86/337070686.db2.gz BSRWYBXQJLDOSA-ZDUSSCGKSA-N 0 3 317.389 2.726 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)c1[O-] ZINC000378445538 337072961 /nfs/dbraw/zinc/07/29/61/337072961.db2.gz VBAHRQWEJYESRB-CQSZACIVSA-N 0 3 306.797 2.610 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cn2cncn2)c1[O-] ZINC000378445538 337072962 /nfs/dbraw/zinc/07/29/62/337072962.db2.gz VBAHRQWEJYESRB-CQSZACIVSA-N 0 3 306.797 2.610 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000378524064 337075110 /nfs/dbraw/zinc/07/51/10/337075110.db2.gz YESHVHJQRYEPRW-GOSISDBHSA-N 0 3 317.360 2.633 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000378524064 337075111 /nfs/dbraw/zinc/07/51/11/337075111.db2.gz YESHVHJQRYEPRW-GOSISDBHSA-N 0 3 317.360 2.633 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[O-] ZINC000184695327 337199822 /nfs/dbraw/zinc/19/98/22/337199822.db2.gz DBTWJIBTZAMDOP-YWXMQNBFSA-N 0 3 311.809 2.647 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[O-] ZINC000184695327 337199823 /nfs/dbraw/zinc/19/98/23/337199823.db2.gz DBTWJIBTZAMDOP-YWXMQNBFSA-N 0 3 311.809 2.647 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000184697723 337199882 /nfs/dbraw/zinc/19/98/82/337199882.db2.gz JEQMFMPPABASHY-ZDUSSCGKSA-N 0 3 324.852 2.972 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1[O-] ZINC000184728612 337200190 /nfs/dbraw/zinc/20/01/90/337200190.db2.gz CMMLFKDOBSHMJV-AWEZNQCLSA-N 0 3 315.417 2.589 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1[O-] ZINC000184728612 337200191 /nfs/dbraw/zinc/20/01/91/337200191.db2.gz CMMLFKDOBSHMJV-AWEZNQCLSA-N 0 3 315.417 2.589 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2cccnc2-n2cccn2)c1 ZINC000184988579 337202215 /nfs/dbraw/zinc/20/22/15/337202215.db2.gz OBIPKHJKKAEOFV-CYBMUJFWSA-N 0 3 324.384 2.832 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000184988579 337202216 /nfs/dbraw/zinc/20/22/16/337202216.db2.gz OBIPKHJKKAEOFV-CYBMUJFWSA-N 0 3 324.384 2.832 20 10 DFCDHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])CC2 ZINC000185995138 337252469 /nfs/dbraw/zinc/25/24/69/337252469.db2.gz VJUQVYCJZIXISJ-OLZOCXBDSA-N 0 3 300.406 2.520 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c([O-])c1 ZINC000186051270 337253150 /nfs/dbraw/zinc/25/31/50/337253150.db2.gz YCQJIISQFAGSQS-LSDHHAIUSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1ccc(O)c(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189918498 337283820 /nfs/dbraw/zinc/28/38/20/337283820.db2.gz XLOPDTPDRONBHV-UHFFFAOYSA-N 0 3 312.417 2.623 20 10 DFCDHN COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2ccccc2[O-])cc1 ZINC000527772550 337762584 /nfs/dbraw/zinc/76/25/84/337762584.db2.gz LARWTEIYBBVDPB-QGZVFWFLSA-N 0 3 312.413 2.765 20 10 DFCDHN COC[C@@]1([NH2+]Cc2cc(F)ccc2[O-])COc2ccccc2C1 ZINC000529669925 340767473 /nfs/dbraw/zinc/76/74/73/340767473.db2.gz XGNZHENMPURNKN-GOSISDBHSA-N 0 3 317.360 2.641 20 10 DFCDHN [O-]c1ccc(Br)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530178583 340781766 /nfs/dbraw/zinc/78/17/66/340781766.db2.gz OPXRSUIIDHAVAS-ZDUSSCGKSA-N 0 3 311.223 2.529 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[O-] ZINC000247882192 341370979 /nfs/dbraw/zinc/37/09/79/341370979.db2.gz BZFXTLZLVUWSMC-SUMWQHHRSA-N 0 3 320.408 2.650 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[O-] ZINC000247882192 341370980 /nfs/dbraw/zinc/37/09/80/341370980.db2.gz BZFXTLZLVUWSMC-SUMWQHHRSA-N 0 3 320.408 2.650 20 10 DFCDHN CCN(C)C(=O)[C@H](C)N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000189402177 520215472 /nfs/dbraw/zinc/21/54/72/520215472.db2.gz GWURXRTYSGVEOV-OLZOCXBDSA-N 0 3 304.434 2.788 20 10 DFCDHN CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000189402177 520215478 /nfs/dbraw/zinc/21/54/78/520215478.db2.gz GWURXRTYSGVEOV-OLZOCXBDSA-N 0 3 304.434 2.788 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)c([O-])c1 ZINC000266189756 520367180 /nfs/dbraw/zinc/36/71/80/520367180.db2.gz YAAZZRVGPIRJEZ-QGZVFWFLSA-N 0 3 305.374 2.771 20 10 DFCDHN CCOC(=O)CC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000159034233 520615715 /nfs/dbraw/zinc/61/57/15/520615715.db2.gz HDZJMCHGOCUVDP-UHFFFAOYSA-N 0 3 304.434 2.918 20 10 DFCDHN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)CC1 ZINC000236673966 521040408 /nfs/dbraw/zinc/04/04/08/521040408.db2.gz KAYTYEJOFGISHD-SFHVURJKSA-N 0 3 315.461 2.681 20 10 DFCDHN CC[C@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1ccccc1[O-] ZINC000155658394 522624943 /nfs/dbraw/zinc/62/49/43/522624943.db2.gz ZJQLFDRNCDFRRJ-WMZOPIPTSA-N 0 3 319.493 2.707 20 10 DFCDHN COCCC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000124574538 523230000 /nfs/dbraw/zinc/23/00/00/523230000.db2.gz FHTGNTNKLVYUBX-UHFFFAOYSA-N 0 3 302.212 2.931 20 10 DFCDHN COCCC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000124574538 523230008 /nfs/dbraw/zinc/23/00/08/523230008.db2.gz FHTGNTNKLVYUBX-UHFFFAOYSA-N 0 3 302.212 2.931 20 10 DFCDHN Cc1cccc(CN2CCN([C@@H](C)c3cccnc3)CC2)c1O ZINC000180248676 524398648 /nfs/dbraw/zinc/39/86/48/524398648.db2.gz QHWBWONPUQFQKA-INIZCTEOSA-N 0 3 311.429 2.974 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000179999841 524738908 /nfs/dbraw/zinc/73/89/08/524738908.db2.gz RXDNTGYNKPSVNW-ZDUSSCGKSA-N 0 3 317.389 2.547 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000179999841 524738886 /nfs/dbraw/zinc/73/88/86/524738886.db2.gz RXDNTGYNKPSVNW-ZDUSSCGKSA-N 0 3 317.389 2.547 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000179999841 524738896 /nfs/dbraw/zinc/73/88/96/524738896.db2.gz RXDNTGYNKPSVNW-ZDUSSCGKSA-N 0 3 317.389 2.547 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000190274742 524749517 /nfs/dbraw/zinc/74/95/17/524749517.db2.gz BNGCSDXSSMHWEL-SFHVURJKSA-N 0 3 301.386 2.788 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000182387855 524762833 /nfs/dbraw/zinc/76/28/33/524762833.db2.gz YGYYKKAZRLTJMF-PIGZYNQJSA-N 0 3 305.349 2.924 20 10 DFCDHN C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000264985542 524836747 /nfs/dbraw/zinc/83/67/47/524836747.db2.gz VRCVCSKUALXYRX-ZDUSSCGKSA-N 0 3 319.426 2.582 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000180774180 524861219 /nfs/dbraw/zinc/86/12/19/524861219.db2.gz MUXNPMPGCFFVEW-CYBMUJFWSA-N 0 3 320.824 2.858 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000180774180 524861228 /nfs/dbraw/zinc/86/12/28/524861228.db2.gz MUXNPMPGCFFVEW-CYBMUJFWSA-N 0 3 320.824 2.858 20 10 DFCDHN Cc1ccc(N2CCC[N@H+](Cc3cccc(C)c3[O-])CC2)nn1 ZINC000180078307 524946969 /nfs/dbraw/zinc/94/69/69/524946969.db2.gz CRGRCFVMWOHCNK-UHFFFAOYSA-N 0 3 312.417 2.511 20 10 DFCDHN Cc1ccc(N2CCC[N@@H+](Cc3cccc(C)c3[O-])CC2)nn1 ZINC000180078307 524946979 /nfs/dbraw/zinc/94/69/79/524946979.db2.gz CRGRCFVMWOHCNK-UHFFFAOYSA-N 0 3 312.417 2.511 20 10 DFCDHN Cc1ccc(O)c(CN[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000264943686 525354403 /nfs/dbraw/zinc/35/44/03/525354403.db2.gz HNRUCYOKNSTLPK-KRWDZBQOSA-N 0 3 310.397 2.591 20 10 DFCDHN COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184949201 525377829 /nfs/dbraw/zinc/37/78/29/525377829.db2.gz VTAPUYIUVZNXPI-APPDUMDISA-N 0 3 305.349 2.924 20 10 DFCDHN COc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000267184871 526029759 /nfs/dbraw/zinc/02/97/59/526029759.db2.gz LCDSMFMNTVSFLH-MEDUHNTESA-N 0 3 305.349 2.752 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1[O-] ZINC000187986017 526158790 /nfs/dbraw/zinc/15/87/90/526158790.db2.gz VZQHKQCLEOOCBS-GWCFXTLKSA-N 0 3 314.223 2.714 20 10 DFCDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@H]3CCCO3)CC1)OCO2 ZINC000190176734 526334253 /nfs/dbraw/zinc/33/42/53/526334253.db2.gz VGRKQOLCTUMZPV-OAHLLOKOSA-N 0 3 305.374 2.512 20 10 DFCDHN Nc1ccc(CC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000237891214 527475663 /nfs/dbraw/zinc/47/56/63/527475663.db2.gz SZAJCJKZMGXHSL-UHFFFAOYSA-N 0 3 315.461 2.536 20 10 DFCDHN CC(C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])OCCO ZINC000288531784 535146347 /nfs/dbraw/zinc/14/63/47/535146347.db2.gz VSVYMLVBDGSDDV-UHFFFAOYSA-N 0 3 315.413 2.936 20 10 DFCDHN COC[C@@H](CN[C@@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000272641309 536628386 /nfs/dbraw/zinc/62/83/86/536628386.db2.gz CSWCNTISEUHVHV-MAUKXSAKSA-N 0 3 306.450 2.989 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1OC ZINC000273208436 536856387 /nfs/dbraw/zinc/85/63/87/536856387.db2.gz SLWIGGRYBSNDOB-QWHCGFSZSA-N 0 3 309.406 2.704 20 10 DFCDHN CN(C)c1ccc(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736819440 598401433 /nfs/dbraw/zinc/40/14/33/598401433.db2.gz LVMZZZOOIOBIGR-UHFFFAOYSA-N 0 3 322.416 2.565 20 10 DFCDHN CN(C)c1ccc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736819440 598401435 /nfs/dbraw/zinc/40/14/35/598401435.db2.gz LVMZZZOOIOBIGR-UHFFFAOYSA-N 0 3 322.416 2.565 20 10 DFCDHN CN(C)c1ccc(C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736819440 598401437 /nfs/dbraw/zinc/40/14/37/598401437.db2.gz LVMZZZOOIOBIGR-UHFFFAOYSA-N 0 3 322.416 2.565 20 10 DFCDHN CN(C)c1ccc(C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736819440 598401438 /nfs/dbraw/zinc/40/14/38/598401438.db2.gz LVMZZZOOIOBIGR-UHFFFAOYSA-N 0 3 322.416 2.565 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1[O-] ZINC000092814130 185343539 /nfs/dbraw/zinc/34/35/39/185343539.db2.gz UYPRXEDGWNURRJ-CYBMUJFWSA-N 0 3 317.389 2.547 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1[O-] ZINC000092814130 185343540 /nfs/dbraw/zinc/34/35/40/185343540.db2.gz UYPRXEDGWNURRJ-CYBMUJFWSA-N 0 3 317.389 2.547 20 10 DFCDHN COc1cccc(CN2CCC[C@H](Cc3noc(C)n3)C2)c1O ZINC000092814130 185343541 /nfs/dbraw/zinc/34/35/41/185343541.db2.gz UYPRXEDGWNURRJ-CYBMUJFWSA-N 0 3 317.389 2.547 20 10 DFCDHN C[C@H](NC[C@]1(O)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090849194 398494562 /nfs/dbraw/zinc/49/45/62/398494562.db2.gz UTEJQMAKXMNGMU-KBXCAEBGSA-N 0 3 322.424 2.618 20 10 DFCDHN CN(C)c1ccc(CNCc2ccccc2Cn2cncn2)cc1 ZINC000030900756 398507825 /nfs/dbraw/zinc/50/78/25/398507825.db2.gz VTCOGJPNVRPLIM-UHFFFAOYSA-N 0 3 321.428 2.682 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1[O-] ZINC000092072339 398556327 /nfs/dbraw/zinc/55/63/27/398556327.db2.gz ITDIVEUVIIZTEN-AWEZNQCLSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1[O-] ZINC000092072339 398556330 /nfs/dbraw/zinc/55/63/30/398556330.db2.gz ITDIVEUVIIZTEN-AWEZNQCLSA-N 0 3 301.390 2.894 20 10 DFCDHN Cn1cc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)cn1 ZINC000080583591 192170149 /nfs/dbraw/zinc/17/01/49/192170149.db2.gz OGOYANLIKJILAE-UHFFFAOYSA-N 0 3 322.412 2.601 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000368804750 398652276 /nfs/dbraw/zinc/65/22/76/398652276.db2.gz GDJAVOXVXROVFC-AWEZNQCLSA-N 0 3 320.458 2.841 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000091960740 193132035 /nfs/dbraw/zinc/13/20/35/193132035.db2.gz RAKZWRMIHATPCG-HIFRSBDPSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000091960740 193132037 /nfs/dbraw/zinc/13/20/37/193132037.db2.gz RAKZWRMIHATPCG-HIFRSBDPSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1cccc(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000093360269 193238737 /nfs/dbraw/zinc/23/87/37/193238737.db2.gz MVGMCVUKIXOQCQ-LBPRGKRZSA-N 0 3 324.421 2.746 20 10 DFCDHN COC[C@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)OC ZINC000280318437 285377462 /nfs/dbraw/zinc/37/74/62/285377462.db2.gz PDROCQPNOIPGFX-ZDUSSCGKSA-N 0 3 320.355 2.522 20 10 DFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccncc3)CC1)OCO2 ZINC000191293695 285382063 /nfs/dbraw/zinc/38/20/63/285382063.db2.gz JKRLNUCNWBOTSF-UHFFFAOYSA-N 0 3 312.369 2.896 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCc3c2cnn3C)c1 ZINC000273419093 130119144 /nfs/dbraw/zinc/11/91/44/130119144.db2.gz RTYQTGIYXPZVFR-ABAIWWIYSA-N 0 3 301.390 2.863 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000273484277 130126488 /nfs/dbraw/zinc/12/64/88/130126488.db2.gz MUUXKWLSWLGYTR-ZDUSSCGKSA-N 0 3 320.433 2.702 20 10 DFCDHN CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273607912 130144389 /nfs/dbraw/zinc/14/43/89/130144389.db2.gz UTRXKRCYAUHOOH-NFOMZHRRSA-N 0 3 304.434 2.964 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000273613275 130144966 /nfs/dbraw/zinc/14/49/66/130144966.db2.gz WRASXZGMLBQQIV-NWANDNLSSA-N 0 3 320.433 2.702 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274412857 130232798 /nfs/dbraw/zinc/23/27/98/130232798.db2.gz SCBJTINREHDZTF-GFCCVEGCSA-N 0 3 303.431 2.896 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](c3cncn3C)C2)cc1C ZINC000275537985 130333601 /nfs/dbraw/zinc/33/36/01/130333601.db2.gz MKKYGVKIJQPEDS-YJBOKZPZSA-N 0 3 315.417 2.752 20 10 DFCDHN COCCC[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275695227 130364701 /nfs/dbraw/zinc/36/47/01/130364701.db2.gz BFADMUYETILGKK-UHFFFAOYSA-N 0 3 315.413 2.890 20 10 DFCDHN COCCC[N@@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275695227 130364704 /nfs/dbraw/zinc/36/47/04/130364704.db2.gz BFADMUYETILGKK-UHFFFAOYSA-N 0 3 315.413 2.890 20 10 DFCDHN CC(=O)N(C[C@@H]1CCCN1Cc1ccc(N(C)C)cc1)C1CC1 ZINC000275852405 130399550 /nfs/dbraw/zinc/39/95/50/130399550.db2.gz WYPWIARFOVKJCM-IBGZPJMESA-N 0 3 315.461 2.728 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1OC ZINC000283864058 131030003 /nfs/dbraw/zinc/03/00/03/131030003.db2.gz CISULMXAGGOGIX-DZGCQCFKSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1OC ZINC000283864058 131030004 /nfs/dbraw/zinc/03/00/04/131030004.db2.gz CISULMXAGGOGIX-DZGCQCFKSA-N 0 3 307.390 2.553 20 10 DFCDHN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1ccc(N(C)C)cc1 ZINC000284734592 131107467 /nfs/dbraw/zinc/10/74/67/131107467.db2.gz UCIPOCYKFCSLKU-GBESFXJTSA-N 0 3 318.461 2.769 20 10 DFCDHN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cccc(C)c1O ZINC000284798152 131112004 /nfs/dbraw/zinc/11/20/04/131112004.db2.gz ZSZIURNVKHPTCX-YESZJQIVSA-N 0 3 305.418 2.717 20 10 DFCDHN CO[C@H]1C[C@@H](C[N@H+](C)Cc2cc(Cl)cc(C)c2[O-])N(C)C1 ZINC000284910031 131121043 /nfs/dbraw/zinc/12/10/43/131121043.db2.gz UWADLQJZAZDUTI-GJZGRUSLSA-N 0 3 312.841 2.505 20 10 DFCDHN CO[C@H]1C[C@@H](C[N@@H+](C)Cc2cc(Cl)cc(C)c2[O-])N(C)C1 ZINC000284910031 131121044 /nfs/dbraw/zinc/12/10/44/131121044.db2.gz UWADLQJZAZDUTI-GJZGRUSLSA-N 0 3 312.841 2.505 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c([O-])c1 ZINC000285609547 131186238 /nfs/dbraw/zinc/18/62/38/131186238.db2.gz JCDXCQKNQHOPLS-ZDUSSCGKSA-N 0 3 311.447 2.709 20 10 DFCDHN C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289542461 131394142 /nfs/dbraw/zinc/39/41/42/131394142.db2.gz IBBJXAYQGWNJFZ-OCCSQVGLSA-N 0 3 307.390 2.636 20 10 DFCDHN C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289542461 131394144 /nfs/dbraw/zinc/39/41/44/131394144.db2.gz IBBJXAYQGWNJFZ-OCCSQVGLSA-N 0 3 307.390 2.636 20 10 DFCDHN Cc1cccc2c1OC[C@H]([NH2+]Cc1cc3c(cc1[O-])OCO3)C2 ZINC000289585026 131397844 /nfs/dbraw/zinc/39/78/44/131397844.db2.gz MPUDKGOWHFVELU-CQSZACIVSA-N 0 3 313.353 2.523 20 10 DFCDHN CC(C)[C@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298714030 132074962 /nfs/dbraw/zinc/07/49/62/132074962.db2.gz LMKLQGCEYXPIHI-HNNXBMFYSA-N 0 3 305.466 2.687 20 10 DFCDHN Cc1cc(CN2CCC(N3CCCC3=O)CC2)ccc1N(C)C ZINC000293061136 543019773 /nfs/dbraw/zinc/01/97/73/543019773.db2.gz LDCKSMCVIQSNJY-UHFFFAOYSA-N 0 3 315.461 2.648 20 10 DFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCCO1 ZINC000071004437 425981045 /nfs/dbraw/zinc/98/10/45/425981045.db2.gz WGQGJYCWHIAHSM-SFHVURJKSA-N 0 3 304.434 2.524 20 10 DFCDHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)C2)c(C)n1-c1ccccc1 ZINC000170863018 426155555 /nfs/dbraw/zinc/15/55/55/426155555.db2.gz CBWSIYBDPKVPLK-QGZVFWFLSA-N 0 3 311.429 2.870 20 10 DFCDHN C[C@@H]1CCC[N@@H+]1C1CCN(Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000151629668 426305096 /nfs/dbraw/zinc/30/50/96/426305096.db2.gz MHIWLIPFNXFCJY-CYBMUJFWSA-N 0 3 318.417 2.570 20 10 DFCDHN C[C@@H]1CCC[N@H+]1C1CCN(Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000151629668 426305098 /nfs/dbraw/zinc/30/50/98/426305098.db2.gz MHIWLIPFNXFCJY-CYBMUJFWSA-N 0 3 318.417 2.570 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121270841 426330242 /nfs/dbraw/zinc/33/02/42/426330242.db2.gz NZUPOLAZZWBOMI-ZDUSSCGKSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121270841 426330244 /nfs/dbraw/zinc/33/02/44/426330244.db2.gz NZUPOLAZZWBOMI-ZDUSSCGKSA-N 0 3 301.390 2.894 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)n1 ZINC000122008041 426356796 /nfs/dbraw/zinc/35/67/96/426356796.db2.gz CNXMMLGTFULWJK-MRXNPFEDSA-N 0 3 314.433 2.821 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)n1 ZINC000122008041 426356799 /nfs/dbraw/zinc/35/67/99/426356799.db2.gz CNXMMLGTFULWJK-MRXNPFEDSA-N 0 3 314.433 2.821 20 10 DFCDHN CCOc1ccc(O)c(CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC000093691655 426357822 /nfs/dbraw/zinc/35/78/22/426357822.db2.gz OBOSSVIHAIAXOU-KRWDZBQOSA-N 0 3 314.385 2.839 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000093691655 426357825 /nfs/dbraw/zinc/35/78/25/426357825.db2.gz OBOSSVIHAIAXOU-KRWDZBQOSA-N 0 3 314.385 2.839 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000093691655 426357826 /nfs/dbraw/zinc/35/78/26/426357826.db2.gz OBOSSVIHAIAXOU-KRWDZBQOSA-N 0 3 314.385 2.839 20 10 DFCDHN Cn1cccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153231958 426377422 /nfs/dbraw/zinc/37/74/22/426377422.db2.gz DCIISAZVJQCHHW-KRWDZBQOSA-N 0 3 300.402 2.912 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1[O-] ZINC000176984857 426430632 /nfs/dbraw/zinc/43/06/32/426430632.db2.gz AOWLCTLZIMSMGX-JSGCOSHPSA-N 0 3 316.380 2.641 20 10 DFCDHN CC[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000154978676 426461186 /nfs/dbraw/zinc/46/11/86/426461186.db2.gz YVRDRBZMQNLXLQ-HLLBOEOZSA-N 0 3 306.450 2.932 20 10 DFCDHN CCNC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccc(C)cc2[O-])C1 ZINC000280214424 426523352 /nfs/dbraw/zinc/52/33/52/426523352.db2.gz UIBOCIZCTWEHON-UKRRQHHQSA-N 0 3 305.422 2.545 20 10 DFCDHN C/C=C/C[C@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186498152 426540277 /nfs/dbraw/zinc/54/02/77/426540277.db2.gz NZICAOLYHPCDLG-AIROSISHSA-N 0 3 322.424 2.640 20 10 DFCDHN CSC[C@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000187712133 426687174 /nfs/dbraw/zinc/68/71/74/426687174.db2.gz ZKGIIIVALNXVNT-QGZVFWFLSA-N 0 3 308.491 2.833 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000289717340 426672239 /nfs/dbraw/zinc/67/22/39/426672239.db2.gz FJJPYDWMXTZWIH-VQIMIIECSA-N 0 3 313.397 2.657 20 10 DFCDHN COC(=O)CCCCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000289947134 426677631 /nfs/dbraw/zinc/67/76/31/426677631.db2.gz XPFNBINKNVOTBX-UHFFFAOYSA-N 0 3 315.797 2.877 20 10 DFCDHN CC[C@@H](C)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000187724709 426688370 /nfs/dbraw/zinc/68/83/70/426688370.db2.gz UKEAXRLPZJNJMX-CYBMUJFWSA-N 0 3 308.422 2.633 20 10 DFCDHN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H](N)c1ccccc1 ZINC000237711624 426693625 /nfs/dbraw/zinc/69/36/25/426693625.db2.gz WQWMXIPDSGMYJX-KDOFPFPSSA-N 0 3 311.429 2.705 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000290525197 426785719 /nfs/dbraw/zinc/78/57/19/426785719.db2.gz ZCVJCKYVTPKWJZ-POHZPAGDSA-N 0 3 315.369 2.546 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000290525197 426785723 /nfs/dbraw/zinc/78/57/23/426785723.db2.gz ZCVJCKYVTPKWJZ-POHZPAGDSA-N 0 3 315.369 2.546 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+]CC2([S@](C)=O)CCC2)c1[O-] ZINC000281772232 426762665 /nfs/dbraw/zinc/76/26/65/426762665.db2.gz JSARUDWTEIDHHL-IBGZPJMESA-N 0 3 301.839 2.745 20 10 DFCDHN O=[N+]([O-])c1cccc(N2CCN(Cc3ccccc3O)CC2)c1 ZINC000179561290 426802522 /nfs/dbraw/zinc/80/25/22/426802522.db2.gz MQUKYDXWUGWOFO-UHFFFAOYSA-N 0 3 313.357 2.623 20 10 DFCDHN COc1ccc(O)c(CN(C)Cc2ccc(O)c(OC)c2)c1 ZINC000179665139 426809945 /nfs/dbraw/zinc/80/99/45/426809945.db2.gz UDNLUKXPGDBNSR-UHFFFAOYSA-N 0 3 303.358 2.747 20 10 DFCDHN COC(=O)c1cnc(SCC[C@@H]2CCCCN2C)s1 ZINC000295157932 426843206 /nfs/dbraw/zinc/84/32/06/426843206.db2.gz GHEDUHDCZATVNH-JTQLQIEISA-N 0 3 300.449 2.896 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1[O-] ZINC000282578158 426918045 /nfs/dbraw/zinc/91/80/45/426918045.db2.gz BCEJOUCDYVSTRX-GFCCVEGCSA-N 0 3 324.421 2.746 20 10 DFCDHN Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2cc3c(cc2[O-])OCO3)c1 ZINC000282416183 426905982 /nfs/dbraw/zinc/90/59/82/426905982.db2.gz BFOZHPQYCINCTG-INIZCTEOSA-N 0 3 315.369 2.561 20 10 DFCDHN CC[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCOC(C)(C)C1 ZINC000291635446 426933535 /nfs/dbraw/zinc/93/35/35/426933535.db2.gz STZOPBGAWQVBIN-CYBMUJFWSA-N 0 3 307.390 2.900 20 10 DFCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCOC(C)(C)C1 ZINC000291635446 426933539 /nfs/dbraw/zinc/93/35/39/426933539.db2.gz STZOPBGAWQVBIN-CYBMUJFWSA-N 0 3 307.390 2.900 20 10 DFCDHN O=C1[C@H]([NH2+]Cc2ccccc2[O-])CCCN1C1CCCCC1 ZINC000276218263 427011329 /nfs/dbraw/zinc/01/13/29/427011329.db2.gz PZLXQXJCYDFCCJ-MRXNPFEDSA-N 0 3 302.418 2.806 20 10 DFCDHN C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268822673 427129323 /nfs/dbraw/zinc/12/93/23/427129323.db2.gz KIDROCMUIFVELM-NVXWUHKLSA-N 0 3 315.461 2.948 20 10 DFCDHN CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000296183007 427103358 /nfs/dbraw/zinc/10/33/58/427103358.db2.gz YFDOBOWYBKYTNO-INIZCTEOSA-N 0 3 310.397 2.919 20 10 DFCDHN C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268797785 427118968 /nfs/dbraw/zinc/11/89/68/427118968.db2.gz CLHOWXWJKJHWSU-HIFRSBDPSA-N 0 3 319.424 2.697 20 10 DFCDHN O=C1CCCN1[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000276903855 427127276 /nfs/dbraw/zinc/12/72/76/427127276.db2.gz OEXUDLSNWFIZJJ-OAHLLOKOSA-N 0 3 310.397 2.742 20 10 DFCDHN O=C1CCCN1[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000276903855 427127285 /nfs/dbraw/zinc/12/72/85/427127285.db2.gz OEXUDLSNWFIZJJ-OAHLLOKOSA-N 0 3 310.397 2.742 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)[C@]12CCCO2 ZINC000296280759 427134220 /nfs/dbraw/zinc/13/42/20/427134220.db2.gz CPHZKOPAESJQKG-NOVWEMISSA-N 0 3 303.402 2.696 20 10 DFCDHN CC[C@H](C)c1nc([C@H](C)NCc2cccc(OC)c2O)n[nH]1 ZINC000277155163 427137545 /nfs/dbraw/zinc/13/75/45/427137545.db2.gz GCWQMRYDAFXBRU-QWRGUYRKSA-N 0 3 304.394 2.883 20 10 DFCDHN CC[C@@H](COC)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268881154 427139117 /nfs/dbraw/zinc/13/91/17/427139117.db2.gz RMXHMRXPGJLDBX-LZWOXQAQSA-N 0 3 324.440 2.954 20 10 DFCDHN CNC(=O)C[C@@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000268909592 427139329 /nfs/dbraw/zinc/13/93/29/427139329.db2.gz MLSJXKSOAYGUDN-OAHLLOKOSA-N 0 3 303.450 2.537 20 10 DFCDHN CC[C@H](COC)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268881158 427139899 /nfs/dbraw/zinc/13/98/99/427139899.db2.gz RMXHMRXPGJLDBX-OFQRWUPVSA-N 0 3 324.440 2.954 20 10 DFCDHN NC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000269350143 427175737 /nfs/dbraw/zinc/17/57/37/427175737.db2.gz KBHVJVUPAQJXSA-MRXNPFEDSA-N 0 3 310.397 2.757 20 10 DFCDHN NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000269350143 427175746 /nfs/dbraw/zinc/17/57/46/427175746.db2.gz KBHVJVUPAQJXSA-MRXNPFEDSA-N 0 3 310.397 2.757 20 10 DFCDHN Oc1cc2c(cc1CN1CC[C@@H](CC(F)(F)F)C1)OCO2 ZINC000277376622 427182256 /nfs/dbraw/zinc/18/22/56/427182256.db2.gz AULVQYHJPQGXGR-VIFPVBQESA-N 0 3 303.280 2.895 20 10 DFCDHN CCCOc1ccc(C[NH2+]CCNC(=O)[C@H](C)CCC)c([O-])c1 ZINC000292768061 427199959 /nfs/dbraw/zinc/19/99/59/427199959.db2.gz SJSIMZPKCXKKLJ-CQSZACIVSA-N 0 3 322.449 2.823 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@H]2CCCCN2C2CC2)c1[O-] ZINC000277441764 427206942 /nfs/dbraw/zinc/20/69/42/427206942.db2.gz DWANRFAUPQRLFJ-MRXNPFEDSA-N 0 3 304.434 2.897 20 10 DFCDHN COC1CCN(c2ccc(CN3CCC[C@H](OC)C3)cc2)CC1 ZINC000296960257 427290236 /nfs/dbraw/zinc/29/02/36/427290236.db2.gz COJLAVWUEUTVNR-IBGZPJMESA-N 0 3 318.461 2.913 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278121573 427411748 /nfs/dbraw/zinc/41/17/48/427411748.db2.gz BAHXGVMBHWVKAW-FZMZJTMJSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278121573 427411769 /nfs/dbraw/zinc/41/17/69/427411769.db2.gz BAHXGVMBHWVKAW-FZMZJTMJSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1ccc(O)c(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278121573 427411775 /nfs/dbraw/zinc/41/17/75/427411775.db2.gz BAHXGVMBHWVKAW-FZMZJTMJSA-N 0 3 303.324 2.836 20 10 DFCDHN CCOc1cccc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1[O-] ZINC000278780565 427450347 /nfs/dbraw/zinc/45/03/47/427450347.db2.gz ZCHKMISSIQOPGQ-UHFFFAOYSA-N 0 3 305.418 2.823 20 10 DFCDHN COc1cc(O)c(CN[C@H](C)c2cccc(O)c2)cc1OC ZINC000192035175 427469264 /nfs/dbraw/zinc/46/92/64/427469264.db2.gz SHJHABXQMUPVEX-LLVKDONJSA-N 0 3 303.358 2.966 20 10 DFCDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000278363319 427431207 /nfs/dbraw/zinc/43/12/07/427431207.db2.gz AZSQOCWIDFMAIH-SFHVURJKSA-N 0 3 315.461 2.776 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278944855 427510368 /nfs/dbraw/zinc/51/03/68/427510368.db2.gz YQJVGLYPSRDOJI-ZDUSSCGKSA-N 0 3 305.418 2.994 20 10 DFCDHN COc1cc(Cl)cc(CN2CCN(CC3CC3)CC2)c1O ZINC000184681340 427516963 /nfs/dbraw/zinc/51/69/63/427516963.db2.gz FJJGHHIKBOJEPT-UHFFFAOYSA-N 0 3 310.825 2.582 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)Cn2ccnc2C)c1[O-] ZINC000184706000 427525259 /nfs/dbraw/zinc/52/52/59/427525259.db2.gz APYXLQURWHIEDN-NSHDSACASA-N 0 3 323.824 2.985 20 10 DFCDHN CN(C)c1ccc(CNC[C@@H]2COC3(CCCC3)O2)cc1F ZINC000271442040 427537425 /nfs/dbraw/zinc/53/74/25/427537425.db2.gz PYGRUGDEZQIWSZ-CQSZACIVSA-N 0 3 308.397 2.667 20 10 DFCDHN C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000184914791 427565376 /nfs/dbraw/zinc/56/53/76/427565376.db2.gz YNOCBCYZKBODHU-MJBXVCDLSA-N 0 3 310.413 2.681 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCOC3(CCSCC3)C2)c1 ZINC000271811369 427583918 /nfs/dbraw/zinc/58/39/18/427583918.db2.gz KYSHLQAKWDXMCW-AWEZNQCLSA-N 0 3 323.458 2.935 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1OC ZINC000271765122 427585827 /nfs/dbraw/zinc/58/58/27/427585827.db2.gz AHCDVGBJJUOMNL-DZGCQCFKSA-N 0 3 309.406 2.703 20 10 DFCDHN Cc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000271859972 427591192 /nfs/dbraw/zinc/59/11/92/427591192.db2.gz KECKZUGIQCOVJG-UHFFFAOYSA-N 0 3 302.340 2.817 20 10 DFCDHN C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000185079618 427591722 /nfs/dbraw/zinc/59/17/22/427591722.db2.gz QIBIHMIPSUXHRJ-CYBMUJFWSA-N 0 3 316.376 2.841 20 10 DFCDHN CC(C)(C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)C(N)=O ZINC000294751202 427651401 /nfs/dbraw/zinc/65/14/01/427651401.db2.gz IESNTAMAWGXKMK-LBPRGKRZSA-N 0 3 308.397 2.645 20 10 DFCDHN CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)C(N)=O ZINC000294751202 427651404 /nfs/dbraw/zinc/65/14/04/427651404.db2.gz IESNTAMAWGXKMK-LBPRGKRZSA-N 0 3 308.397 2.645 20 10 DFCDHN CC(C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccn1 ZINC000294775890 427656758 /nfs/dbraw/zinc/65/67/58/427656758.db2.gz KRLBPSYHWMTGQY-UHFFFAOYSA-N 0 3 300.358 2.583 20 10 DFCDHN C[C@@H](NC1CC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000294819617 427660872 /nfs/dbraw/zinc/66/08/72/427660872.db2.gz RFUPHFMXSWNURS-OAHLLOKOSA-N 0 3 315.461 2.776 20 10 DFCDHN CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c([O-])c1 ZINC000295101020 427691041 /nfs/dbraw/zinc/69/10/41/427691041.db2.gz UZAUOMYCSNJZNY-MQVJKMGUSA-N 0 3 304.434 2.896 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000185813274 427711618 /nfs/dbraw/zinc/71/16/18/427711618.db2.gz MKMMTPCZHSYABZ-BLLLJJGKSA-N 0 3 314.360 2.987 20 10 DFCDHN COc1ccc(N2CCCN(C[C@@H]3CCC=CO3)CC2)cc1 ZINC000193789501 427715577 /nfs/dbraw/zinc/71/55/77/427715577.db2.gz OWXVXKKGBGGYHA-SFHVURJKSA-N 0 3 302.418 2.900 20 10 DFCDHN CC(C)N1CC[C@H](N[C@H](C)c2cc3c(cc2O)CCCC3)C1=O ZINC000186048400 427743862 /nfs/dbraw/zinc/74/38/62/427743862.db2.gz OQDYMFQWABEXEC-DYVFJYSZSA-N 0 3 316.445 2.931 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1[O-] ZINC000359977111 428100176 /nfs/dbraw/zinc/10/01/76/428100176.db2.gz VNXFFJDLMPYAPA-FZMZJTMJSA-N 0 3 310.825 2.580 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c1[O-] ZINC000359977111 428100181 /nfs/dbraw/zinc/10/01/81/428100181.db2.gz VNXFFJDLMPYAPA-FZMZJTMJSA-N 0 3 310.825 2.580 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000370212097 428156396 /nfs/dbraw/zinc/15/63/96/428156396.db2.gz HBQXJYMEXCTUHH-HOCLYGCPSA-N 0 3 300.406 2.847 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000370212097 428156400 /nfs/dbraw/zinc/15/64/00/428156400.db2.gz HBQXJYMEXCTUHH-HOCLYGCPSA-N 0 3 300.406 2.847 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000371423261 428388303 /nfs/dbraw/zinc/38/83/03/428388303.db2.gz BWJMWTFPQSOUNE-HNNXBMFYSA-N 0 3 301.390 2.652 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000371423261 428388306 /nfs/dbraw/zinc/38/83/06/428388306.db2.gz BWJMWTFPQSOUNE-HNNXBMFYSA-N 0 3 301.390 2.652 20 10 DFCDHN Cc1ccc(O)c(CN2CCCN(C(=O)c3ccoc3)CC2)c1 ZINC000371412959 428389467 /nfs/dbraw/zinc/38/94/67/428389467.db2.gz ZNKMKCBVEKTVJR-UHFFFAOYSA-N 0 3 314.385 2.642 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2N2CCOCC2)c([O-])c1 ZINC000371870277 428407390 /nfs/dbraw/zinc/40/73/90/428407390.db2.gz OXWJLLLDYPOIDH-LZLYRXPVSA-N 0 3 318.461 2.852 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000372391451 428437333 /nfs/dbraw/zinc/43/73/33/428437333.db2.gz JNJXGGHXGGXHHL-CQSZACIVSA-N 0 3 321.417 2.658 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000372391451 428437338 /nfs/dbraw/zinc/43/73/38/428437338.db2.gz JNJXGGHXGGXHHL-CQSZACIVSA-N 0 3 321.417 2.658 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000372391450 428438253 /nfs/dbraw/zinc/43/82/53/428438253.db2.gz JNJXGGHXGGXHHL-AWEZNQCLSA-N 0 3 321.417 2.658 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000372391450 428438258 /nfs/dbraw/zinc/43/82/58/428438258.db2.gz JNJXGGHXGGXHHL-AWEZNQCLSA-N 0 3 321.417 2.658 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372500510 428455565 /nfs/dbraw/zinc/45/55/65/428455565.db2.gz CFRAAXOQMJLJNF-GOEBONIOSA-N 0 3 302.418 2.834 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372500510 428455570 /nfs/dbraw/zinc/45/55/70/428455570.db2.gz CFRAAXOQMJLJNF-GOEBONIOSA-N 0 3 302.418 2.834 20 10 DFCDHN CN(C)c1ccc(C2=CCN(Cc3cccc(C(N)=O)c3)C2)cc1 ZINC000372801577 428504035 /nfs/dbraw/zinc/50/40/35/428504035.db2.gz LGLMSEDZYBCOJJ-UHFFFAOYSA-N 0 3 321.424 2.751 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2CCN([C@H]3CCSC3)CC2)c1 ZINC000372595915 428471249 /nfs/dbraw/zinc/47/12/49/428471249.db2.gz BWNTUYHHDAGPMX-KBPBESRZSA-N 0 3 322.474 2.585 20 10 DFCDHN CC[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000373477846 428588095 /nfs/dbraw/zinc/58/80/95/428588095.db2.gz CCFXCEKDXDTVJH-QZTJIDSGSA-N 0 3 304.434 2.523 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000273613260 274003385 /nfs/dbraw/zinc/00/33/85/274003385.db2.gz WRASXZGMLBQQIV-AEGPPILISA-N 0 3 320.433 2.702 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000373813654 428649348 /nfs/dbraw/zinc/64/93/48/428649348.db2.gz WODCRUVGRRXTHZ-SCLBCKFNSA-N 0 3 301.361 2.917 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCc2nnc(C)n2C1)c1ccc(C)cc1[O-] ZINC000373853002 428652041 /nfs/dbraw/zinc/65/20/41/428652041.db2.gz WPFINXCKAFCLDO-UKRRQHHQSA-N 0 3 300.406 2.656 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(C)cc1[O-] ZINC000374506254 428687591 /nfs/dbraw/zinc/68/75/91/428687591.db2.gz PPNXMAIYZTXOKX-XHSDSOJGSA-N 0 3 302.418 2.895 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c([O-])c1C ZINC000374514801 428690902 /nfs/dbraw/zinc/69/09/02/428690902.db2.gz PTWDDNUWGILKJJ-CWRNSKLLSA-N 0 3 302.418 2.813 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1C ZINC000362613562 428794835 /nfs/dbraw/zinc/79/48/35/428794835.db2.gz CHAZWBRMGPFUHN-BPUTZDHNSA-N 0 3 302.418 2.627 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1C ZINC000362613562 428794842 /nfs/dbraw/zinc/79/48/42/428794842.db2.gz CHAZWBRMGPFUHN-BPUTZDHNSA-N 0 3 302.418 2.627 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000363860072 428998639 /nfs/dbraw/zinc/99/86/39/428998639.db2.gz GEKRCBRFLBYOKE-ZDUSSCGKSA-N 0 3 313.397 2.581 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000363860127 429000468 /nfs/dbraw/zinc/00/04/68/429000468.db2.gz GHESAQCIPMAOOJ-BXUZGUMPSA-N 0 3 313.401 2.707 20 10 DFCDHN O=C(c1cn[n-]c1[C@H]1CCC[NH2+]C1)N1CC2(CC2)c2ccccc21 ZINC000423205375 429054780 /nfs/dbraw/zinc/05/47/80/429054780.db2.gz PKFXXTANETVMEG-ZDUSSCGKSA-N 0 3 322.412 2.569 20 10 DFCDHN CCOc1cccc(C[N@H+](C)C[C@@H]2CCc3nccn3C2)c1[O-] ZINC000364668517 429245435 /nfs/dbraw/zinc/24/54/35/429245435.db2.gz AXRPHVDDSLCXIP-AWEZNQCLSA-N 0 3 315.417 2.682 20 10 DFCDHN CCOc1cccc(C[N@@H+](C)C[C@@H]2CCc3nccn3C2)c1[O-] ZINC000364668517 429245438 /nfs/dbraw/zinc/24/54/38/429245438.db2.gz AXRPHVDDSLCXIP-AWEZNQCLSA-N 0 3 315.417 2.682 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365256885 429288667 /nfs/dbraw/zinc/28/86/67/429288667.db2.gz PNIVACQOEKCDJF-IFXJQAMLSA-N 0 3 313.397 2.786 20 10 DFCDHN COc1ccc(O)c(CN[C@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365256885 429288673 /nfs/dbraw/zinc/28/86/73/429288673.db2.gz PNIVACQOEKCDJF-IFXJQAMLSA-N 0 3 313.397 2.786 20 10 DFCDHN CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271940786 275590534 /nfs/dbraw/zinc/59/05/34/275590534.db2.gz BQZYGRBDDSFUJP-UONOGXRCSA-N 0 3 307.390 2.804 20 10 DFCDHN Cc1ccc(/C=C\C(=O)N(CCN(C)C)c2ccccc2)cn1 ZINC000492511318 429554657 /nfs/dbraw/zinc/55/46/57/429554657.db2.gz XNKLRZBKUUKJAA-QXMHVHEDSA-N 0 3 309.413 2.998 20 10 DFCDHN O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)c1ccco1 ZINC000367350238 429628013 /nfs/dbraw/zinc/62/80/13/429628013.db2.gz SYEJNEXUYQABCH-AWEZNQCLSA-N 0 3 314.385 2.627 20 10 DFCDHN O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)c1ccco1 ZINC000367350238 429628016 /nfs/dbraw/zinc/62/80/16/429628016.db2.gz SYEJNEXUYQABCH-AWEZNQCLSA-N 0 3 314.385 2.627 20 10 DFCDHN COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cc(OC)ccc2[O-])CC12CCC2 ZINC000367371711 429634182 /nfs/dbraw/zinc/63/41/82/429634182.db2.gz QUGXZSJQQBUTMZ-WFASDCNBSA-N 0 3 319.401 2.737 20 10 DFCDHN COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cc(OC)ccc2[O-])CC12CCC2 ZINC000367371711 429634184 /nfs/dbraw/zinc/63/41/84/429634184.db2.gz QUGXZSJQQBUTMZ-WFASDCNBSA-N 0 3 319.401 2.737 20 10 DFCDHN COc1cc(O)c(CN2CCC(OCC3CC3)CC2)cc1OC ZINC000367227232 429602188 /nfs/dbraw/zinc/60/21/88/429602188.db2.gz XHPWIODSPUONCC-UHFFFAOYSA-N 0 3 321.417 2.800 20 10 DFCDHN Cc1cc(O)c(CN2CCN([C@H]3CCSC3)CC2)cc1C ZINC000367536587 429667649 /nfs/dbraw/zinc/66/76/49/429667649.db2.gz VUPVSUUISUKGGX-INIZCTEOSA-N 0 3 306.475 2.632 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000367667732 429695575 /nfs/dbraw/zinc/69/55/75/429695575.db2.gz CZRHCYOBGRXTOE-BFYDXBDKSA-N 0 3 304.434 2.638 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000367667732 429695578 /nfs/dbraw/zinc/69/55/78/429695578.db2.gz CZRHCYOBGRXTOE-BFYDXBDKSA-N 0 3 304.434 2.638 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c1[O-] ZINC000367716385 429705617 /nfs/dbraw/zinc/70/56/17/429705617.db2.gz DJKMDLOVCXXPFM-UHFFFAOYSA-N 0 3 302.418 2.581 20 10 DFCDHN CC[C@@H](COC)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152976758 276428195 /nfs/dbraw/zinc/42/81/95/276428195.db2.gz ZLJOLJIQLJCEDR-HIFRSBDPSA-N 0 3 310.413 2.738 20 10 DFCDHN Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000368052592 429776778 /nfs/dbraw/zinc/77/67/78/429776778.db2.gz XBRNLVXQHLSCEF-HNNXBMFYSA-N 0 3 302.374 2.788 20 10 DFCDHN Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368052592 429776782 /nfs/dbraw/zinc/77/67/82/429776782.db2.gz XBRNLVXQHLSCEF-HNNXBMFYSA-N 0 3 302.374 2.788 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c([O-])c1 ZINC000368360981 429836512 /nfs/dbraw/zinc/83/65/12/429836512.db2.gz BCSKHLFAAKAZOF-JGGQBBKZSA-N 0 3 311.447 2.707 20 10 DFCDHN CC[C@H](c1ccccc1O)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000368567580 429867741 /nfs/dbraw/zinc/86/77/41/429867741.db2.gz NFOLWQPZTANXDA-BZUAXINKSA-N 0 3 303.402 2.913 20 10 DFCDHN CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])o1 ZINC000368678871 429886714 /nfs/dbraw/zinc/88/67/14/429886714.db2.gz VNBIDGRATUCENC-INIZCTEOSA-N 0 3 314.385 2.958 20 10 DFCDHN CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2[O-])o1 ZINC000368678871 429886716 /nfs/dbraw/zinc/88/67/16/429886716.db2.gz VNBIDGRATUCENC-INIZCTEOSA-N 0 3 314.385 2.958 20 10 DFCDHN COc1cccc([C@H](C[NH2+]Cc2cc(OC)ccc2[O-])OC)c1 ZINC000529640595 430046071 /nfs/dbraw/zinc/04/60/71/430046071.db2.gz VUXLPFQSAUYTIP-SFHVURJKSA-N 0 3 317.385 2.887 20 10 DFCDHN COc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c1[O-] ZINC000365164731 278012851 /nfs/dbraw/zinc/01/28/51/278012851.db2.gz RVFSMXBHLLVTEE-QAPCUYQASA-N 0 3 313.397 2.786 20 10 DFCDHN COc1cccc(CN[C@@H]2c3ccccc3CC[C@@H]2CO)c1O ZINC000365164731 278012853 /nfs/dbraw/zinc/01/28/53/278012853.db2.gz RVFSMXBHLLVTEE-QAPCUYQASA-N 0 3 313.397 2.786 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)CC2 ZINC000297923864 280454582 /nfs/dbraw/zinc/45/45/82/280454582.db2.gz XIOCZTLYJIQOHL-CYBMUJFWSA-N 0 3 314.351 2.996 20 10 DFCDHN C[C@@H]1c2ccccc2O[C@@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000365846354 289085669 /nfs/dbraw/zinc/08/56/69/289085669.db2.gz IEYKCHIMHOWWDF-ADLMAVQZSA-N 0 3 313.353 2.775 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1[O-] ZINC000176984874 332966990 /nfs/dbraw/zinc/96/69/90/332966990.db2.gz AOWLCTLZIMSMGX-OCCSQVGLSA-N 0 3 316.380 2.641 20 10 DFCDHN CCC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(C)C ZINC000179497002 333151218 /nfs/dbraw/zinc/15/12/18/333151218.db2.gz BBCBBSYKDZBWPL-QGZVFWFLSA-N 0 3 303.450 2.633 20 10 DFCDHN C[C@@](O)(C[NH2+]Cc1cc(F)ccc1[O-])c1ccc(F)cc1F ZINC000180740261 333165039 /nfs/dbraw/zinc/16/50/39/333165039.db2.gz PTYMSOLZWZDDEJ-MRXNPFEDSA-N 0 3 311.303 2.807 20 10 DFCDHN CN(Cc1cccs1)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000294622761 335126573 /nfs/dbraw/zinc/12/65/73/335126573.db2.gz YULSYURWNSBNRB-MRXNPFEDSA-N 0 3 302.443 2.951 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1[O-] ZINC000294934263 335128988 /nfs/dbraw/zinc/12/89/88/335128988.db2.gz ZRITXCNZBHWDMZ-MRXNPFEDSA-N 0 3 301.386 2.748 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)c([O-])c1 ZINC000188107622 333241541 /nfs/dbraw/zinc/24/15/41/333241541.db2.gz WYYRINXBJBNQFB-CJNGLKHVSA-N 0 3 321.417 2.812 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC)[C@H](C)C2)c([O-])c1 ZINC000188107622 333241542 /nfs/dbraw/zinc/24/15/42/333241542.db2.gz WYYRINXBJBNQFB-CJNGLKHVSA-N 0 3 321.417 2.812 20 10 DFCDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H](O)C(F)F ZINC000295083828 335132308 /nfs/dbraw/zinc/13/23/08/335132308.db2.gz QSZQQDAXANZDBI-CABZTGNLSA-N 0 3 309.740 2.548 20 10 DFCDHN COC1CCN(c2ccc(CN(C)CC3(CO)CC3)cc2)CC1 ZINC000295840079 335139821 /nfs/dbraw/zinc/13/98/21/335139821.db2.gz WUVPVXZXXGEWLI-UHFFFAOYSA-N 0 3 318.461 2.506 20 10 DFCDHN CS(=O)(=O)CC1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297265822 335152238 /nfs/dbraw/zinc/15/22/38/335152238.db2.gz KIQYFSLQRMPGGX-ZALBZXLWSA-N 0 3 323.458 2.573 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(C)cc1[O-] ZINC000297305400 335152857 /nfs/dbraw/zinc/15/28/57/335152857.db2.gz MOUFCOGMIGWWEI-WBVHZDCISA-N 0 3 306.450 2.588 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(C)cc1[O-] ZINC000297305393 335152884 /nfs/dbraw/zinc/15/28/84/335152884.db2.gz MOUFCOGMIGWWEI-RDJZCZTQSA-N 0 3 306.450 2.588 20 10 DFCDHN C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000297340847 335153221 /nfs/dbraw/zinc/15/32/21/335153221.db2.gz OMRDCCODMOKOJK-XHDPSFHLSA-N 0 3 307.340 2.925 20 10 DFCDHN O=C(NCc1ccc(N2CCCC2)cc1)C12CCCN1CCC2 ZINC000279099498 334105389 /nfs/dbraw/zinc/10/53/89/334105389.db2.gz AKZTXDSHOUYWMZ-UHFFFAOYSA-N 0 3 313.445 2.531 20 10 DFCDHN CC[C@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000280931013 334121262 /nfs/dbraw/zinc/12/12/62/334121262.db2.gz IFBPRIRHNWTAIX-INIZCTEOSA-N 0 3 324.490 2.761 20 10 DFCDHN CO[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000295066241 334216911 /nfs/dbraw/zinc/21/69/11/334216911.db2.gz ROMBLYZPWDKADG-UGSOOPFHSA-N 0 3 322.424 2.738 20 10 DFCDHN COc1ccc2c(c1)OC[C@@H]([NH2+][C@H]1CCc3cccc([O-])c31)C2 ZINC000296833277 334237148 /nfs/dbraw/zinc/23/71/48/334237148.db2.gz MQRNXJQBYLKAKX-HOCLYGCPSA-N 0 3 311.381 2.981 20 10 DFCDHN CCCN(CCC)c1ccc(CNCC(=O)NC2CC2)cc1 ZINC000298414211 334248583 /nfs/dbraw/zinc/24/85/83/334248583.db2.gz NXUBLOWESJGOOF-UHFFFAOYSA-N 0 3 303.450 2.681 20 10 DFCDHN CCOC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000192743674 336260247 /nfs/dbraw/zinc/26/02/47/336260247.db2.gz QDHLOEKCWRLWMG-ZDUSSCGKSA-N 0 3 306.406 2.972 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000192914436 336284245 /nfs/dbraw/zinc/28/42/45/336284245.db2.gz MZRADFYJQUFRJE-SWLSCSKDSA-N 0 3 304.390 2.947 20 10 DFCDHN Cc1c2ccccc2n(C)c1CNCc1cnc2cnccn12 ZINC000355131478 336495970 /nfs/dbraw/zinc/49/59/70/336495970.db2.gz ZCSGBCFBSNREIC-UHFFFAOYSA-N 0 3 305.385 2.819 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1[O-] ZINC000362042589 336783051 /nfs/dbraw/zinc/78/30/51/336783051.db2.gz UNIMOBYWZCKBTJ-UHFFFAOYSA-N 0 3 312.417 2.618 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(OC3CCOCC3)CC2)c1[O-] ZINC000362047071 336783346 /nfs/dbraw/zinc/78/33/46/336783346.db2.gz QAZABZZIRYQYDH-UHFFFAOYSA-N 0 3 305.418 2.861 20 10 DFCDHN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000368647717 336849779 /nfs/dbraw/zinc/84/97/79/336849779.db2.gz YTMPLKRMCUAMAX-KBPBESRZSA-N 0 3 324.396 2.829 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000371515295 336906866 /nfs/dbraw/zinc/90/68/66/336906866.db2.gz VCLGFSOLQCAIQR-GDBMZVCRSA-N 0 3 311.809 2.782 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@H]3CO2)c([O-])c1C ZINC000375242464 337006499 /nfs/dbraw/zinc/00/64/99/337006499.db2.gz OJOFTUMWFRVWDM-YESZJQIVSA-N 0 3 318.461 2.913 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2cnc3n2CCCC3)c1 ZINC000375271478 337007088 /nfs/dbraw/zinc/00/70/88/337007088.db2.gz ZPDYHWPTHMQPOA-GFCCVEGCSA-N 0 3 301.390 2.784 20 10 DFCDHN Oc1cc2c(cc1CN1CCOCC3(CCCC3)C1)OCO2 ZINC000375389645 337010160 /nfs/dbraw/zinc/01/01/60/337010160.db2.gz GAEJVNWHOUQGOX-UHFFFAOYSA-N 0 3 305.374 2.514 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cc(F)ccc1[O-] ZINC000376029135 337025626 /nfs/dbraw/zinc/02/56/26/337025626.db2.gz NBQKMUSCMZKWPC-OCCSQVGLSA-N 0 3 318.396 2.584 20 10 DFCDHN CC[C@@H]1CN(Cc2cc(OC)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000376440031 337033543 /nfs/dbraw/zinc/03/35/43/337033543.db2.gz DPQUBKKLMGIPPJ-CRAIPNDOSA-N 0 3 321.417 2.561 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000376896173 337043397 /nfs/dbraw/zinc/04/33/97/337043397.db2.gz YXQQVVWGZMKYFZ-IAOVAPTHSA-N 0 3 322.424 2.825 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCn3ccnc3C2)c1 ZINC000377689496 337058436 /nfs/dbraw/zinc/05/84/36/337058436.db2.gz BZMDNRXUMFEAPY-STQMWFEESA-N 0 3 301.390 2.511 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000377852435 337062587 /nfs/dbraw/zinc/06/25/87/337062587.db2.gz QGHRTHZQMNNLDC-GOEBONIOSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000377852435 337062588 /nfs/dbraw/zinc/06/25/88/337062588.db2.gz QGHRTHZQMNNLDC-GOEBONIOSA-N 0 3 302.418 2.788 20 10 DFCDHN CCn1ncc2c1CCC[C@@H]2NCc1cc(OC)ccc1O ZINC000378453346 337073219 /nfs/dbraw/zinc/07/32/19/337073219.db2.gz INCLEPXWGGEDFM-HNNXBMFYSA-N 0 3 301.390 2.784 20 10 DFCDHN Cn1cc(N2CC[C@H]([NH2+]Cc3c([O-])ccc4ccccc43)C2)cn1 ZINC000378477267 337073708 /nfs/dbraw/zinc/07/37/08/337073708.db2.gz SSMBRZIRCWLKJX-HNNXBMFYSA-N 0 3 322.412 2.647 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000378520981 337075131 /nfs/dbraw/zinc/07/51/31/337075131.db2.gz OKBYAIAVQYLPRH-SFHVURJKSA-N 0 3 301.361 2.933 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000378520981 337075132 /nfs/dbraw/zinc/07/51/32/337075132.db2.gz OKBYAIAVQYLPRH-SFHVURJKSA-N 0 3 301.361 2.933 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000360020967 337083973 /nfs/dbraw/zinc/08/39/73/337083973.db2.gz VLZNWJONPJHPTM-UHFFFAOYSA-N 0 3 319.355 2.778 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000360020967 337083974 /nfs/dbraw/zinc/08/39/74/337083974.db2.gz VLZNWJONPJHPTM-UHFFFAOYSA-N 0 3 319.355 2.778 20 10 DFCDHN O=C(c1ccccc1)N1CCCN(Cc2ccccc2O)CC1 ZINC000179559005 337170367 /nfs/dbraw/zinc/17/03/67/337170367.db2.gz WCQONBLWWDUQJX-UHFFFAOYSA-N 0 3 310.397 2.740 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552359 337249048 /nfs/dbraw/zinc/24/90/48/337249048.db2.gz DPDJSEJZVIGSAY-CABCVRRESA-N 0 3 314.433 2.754 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000186213092 337254684 /nfs/dbraw/zinc/25/46/84/337254684.db2.gz IDOSSIYTVUPSHU-PBHICJAKSA-N 0 3 314.433 2.835 20 10 DFCDHN C[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])COc2ccccc2O1 ZINC000529637174 340765876 /nfs/dbraw/zinc/76/58/76/340765876.db2.gz ORHTZUZWCAREOR-QGZVFWFLSA-N 0 3 303.333 2.851 20 10 DFCDHN COc1ccc(O)c(CN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000245839022 341315774 /nfs/dbraw/zinc/31/57/74/341315774.db2.gz BBQBYZUAVJIGNG-GOSISDBHSA-N 0 3 312.413 2.890 20 10 DFCDHN CCCNC(=O)CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000158364954 519880552 /nfs/dbraw/zinc/88/05/52/519880552.db2.gz RVQOEUWPFLYWKY-OAHLLOKOSA-N 0 3 303.450 2.854 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000180131375 521144261 /nfs/dbraw/zinc/14/42/61/521144261.db2.gz FHPSZBZYXWSSPA-INIZCTEOSA-N 0 3 315.417 2.960 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000180131375 521144265 /nfs/dbraw/zinc/14/42/65/521144265.db2.gz FHPSZBZYXWSSPA-INIZCTEOSA-N 0 3 315.417 2.960 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128521208 521149130 /nfs/dbraw/zinc/14/91/30/521149130.db2.gz PPMSGQFCHQVKCR-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128521208 521149136 /nfs/dbraw/zinc/14/91/36/521149136.db2.gz PPMSGQFCHQVKCR-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOC(=O)c1csc(CC[NH2+]Cc2cccc(C)c2[O-])n1 ZINC000191511263 521589272 /nfs/dbraw/zinc/58/92/72/521589272.db2.gz RTVAONQGQMIYFK-UHFFFAOYSA-N 0 3 320.414 2.666 20 10 DFCDHN CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1ccccc1[O-])CC2 ZINC000156506380 522535120 /nfs/dbraw/zinc/53/51/20/522535120.db2.gz OBVQFVJMIDMLCL-TZMCWYRMSA-N 0 3 300.406 2.602 20 10 DFCDHN CC[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000155895358 522562977 /nfs/dbraw/zinc/56/29/77/522562977.db2.gz DITVXUYNTBRICZ-QAPCUYQASA-N 0 3 318.461 2.934 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]2(CO)CC(C)C)cc1OC ZINC000188036478 522774296 /nfs/dbraw/zinc/77/42/96/522774296.db2.gz BKBJXPBMUFMXRN-GOSISDBHSA-N 0 3 323.433 2.782 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@]2(CO)CC(C)C)cc1OC ZINC000188036478 522774299 /nfs/dbraw/zinc/77/42/99/522774299.db2.gz BKBJXPBMUFMXRN-GOSISDBHSA-N 0 3 323.433 2.782 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)cc1OC ZINC000182489577 522780985 /nfs/dbraw/zinc/78/09/85/522780985.db2.gz DFUXNGCDLKNGMO-NVXWUHKLSA-N 0 3 309.406 2.703 20 10 DFCDHN COCCO[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000188917204 524032405 /nfs/dbraw/zinc/03/24/05/524032405.db2.gz VZDBWGPQJQELBR-OAHLLOKOSA-N 0 3 301.386 2.783 20 10 DFCDHN COCCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000188917204 524032406 /nfs/dbraw/zinc/03/24/06/524032406.db2.gz VZDBWGPQJQELBR-OAHLLOKOSA-N 0 3 301.386 2.783 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1[O-] ZINC000363844580 524389060 /nfs/dbraw/zinc/38/90/60/524389060.db2.gz ISYPWXDVUJIMFV-HNNXBMFYSA-N 0 3 305.418 2.718 20 10 DFCDHN COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185098430 524741128 /nfs/dbraw/zinc/74/11/28/524741128.db2.gz QOWCRUQXHMCUJD-ZBEGNZNMSA-N 0 3 305.349 2.924 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000179986964 524746046 /nfs/dbraw/zinc/74/60/46/524746046.db2.gz FQNDTESRJHYGHL-CQSZACIVSA-N 0 3 313.401 2.730 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000179986964 524746056 /nfs/dbraw/zinc/74/60/56/524746056.db2.gz FQNDTESRJHYGHL-CQSZACIVSA-N 0 3 313.401 2.730 20 10 DFCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000179878104 524757266 /nfs/dbraw/zinc/75/72/66/524757266.db2.gz WURNXSCQCIBBCS-CABCVRRESA-N 0 3 301.386 2.791 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1 ZINC000363855812 524763426 /nfs/dbraw/zinc/76/34/26/524763426.db2.gz BEVMJDAMNJCZDP-CYBMUJFWSA-N 0 3 324.384 2.832 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227690126 524772484 /nfs/dbraw/zinc/77/24/84/524772484.db2.gz PTFMPRIWDCMYCJ-RYUDHWBXSA-N 0 3 324.421 2.965 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(CC(=O)N(C)C)CC2)cc1C ZINC000180561274 525314935 /nfs/dbraw/zinc/31/49/35/525314935.db2.gz XWEUFARJSLTWGD-UHFFFAOYSA-N 0 3 304.434 2.699 20 10 DFCDHN C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1[O-] ZINC000179902138 525495657 /nfs/dbraw/zinc/49/56/57/525495657.db2.gz IISWXKXFDWGCBA-OCCSQVGLSA-N 0 3 305.349 2.622 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCOC2)c1[O-] ZINC000124589946 526157808 /nfs/dbraw/zinc/15/78/08/526157808.db2.gz VEPOEIRNDWBDGV-GFCCVEGCSA-N 0 3 300.196 2.684 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+](C)[C@@H]2CCOC2)c1[O-] ZINC000124589946 526157813 /nfs/dbraw/zinc/15/78/13/526157813.db2.gz VEPOEIRNDWBDGV-GFCCVEGCSA-N 0 3 300.196 2.684 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000287887268 536147281 /nfs/dbraw/zinc/14/72/81/536147281.db2.gz TXNRDRSMBPLKBJ-LJQANCHMSA-N 0 3 311.429 2.939 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC(CC[NH+](C)C)CC2)c1[O-] ZINC000079437702 185171395 /nfs/dbraw/zinc/17/13/95/185171395.db2.gz DLMZTXAIUVMIBG-UHFFFAOYSA-N 0 3 322.424 2.898 20 10 DFCDHN CN(C)c1ccc(CNC(=O)CN(C)C2CCCCC2)cc1 ZINC000007340425 398361468 /nfs/dbraw/zinc/36/14/68/398361468.db2.gz OQMYKJGTSSATCH-UHFFFAOYSA-N 0 3 303.450 2.633 20 10 DFCDHN CC[C@@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000090183231 185286171 /nfs/dbraw/zinc/28/61/71/185286171.db2.gz ZLIRVROQQVHMOO-MRXNPFEDSA-N 0 3 324.490 2.618 20 10 DFCDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000092734026 185337161 /nfs/dbraw/zinc/33/71/61/185337161.db2.gz PQFZWMVNZWJIRL-OAHLLOKOSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000092734026 185337162 /nfs/dbraw/zinc/33/71/62/185337162.db2.gz PQFZWMVNZWJIRL-OAHLLOKOSA-N 0 3 320.433 2.529 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000092704169 185334485 /nfs/dbraw/zinc/33/44/85/185334485.db2.gz DWKFWLZKYFOXIF-OAHLLOKOSA-N 0 3 319.449 2.852 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1[O-] ZINC000092812763 185343417 /nfs/dbraw/zinc/34/34/17/185343417.db2.gz XONWIQAVZWYQFA-CQSZACIVSA-N 0 3 313.401 2.730 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1[O-] ZINC000092812763 185343418 /nfs/dbraw/zinc/34/34/18/185343418.db2.gz XONWIQAVZWYQFA-CQSZACIVSA-N 0 3 313.401 2.730 20 10 DFCDHN CN(C)c1ccc(CN[C@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000299321467 529782181 /nfs/dbraw/zinc/78/21/81/529782181.db2.gz GRNFRLHJJKZOHQ-IBGZPJMESA-N 0 3 323.440 2.643 20 10 DFCDHN CN(C)c1ccc(CNCc2ccc(Cn3cncn3)cc2)cc1 ZINC000030633970 398505396 /nfs/dbraw/zinc/50/53/96/398505396.db2.gz YRQFTPLZOSHOKW-UHFFFAOYSA-N 0 3 321.428 2.682 20 10 DFCDHN CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000092097817 398557436 /nfs/dbraw/zinc/55/74/36/398557436.db2.gz SPKQTNHFNPHVQN-QGZVFWFLSA-N 0 3 310.397 2.770 20 10 DFCDHN CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000092097817 398557440 /nfs/dbraw/zinc/55/74/40/398557440.db2.gz SPKQTNHFNPHVQN-QGZVFWFLSA-N 0 3 310.397 2.770 20 10 DFCDHN CN(C)c1ccc(CN2CCCC[C@H]2CN2CCCC2=O)cc1 ZINC000093362546 398634019 /nfs/dbraw/zinc/63/40/19/398634019.db2.gz XKIHFDXHGJKWTR-SFHVURJKSA-N 0 3 315.461 2.730 20 10 DFCDHN CCOc1ccc(O)c(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000093866202 398649027 /nfs/dbraw/zinc/64/90/27/398649027.db2.gz KQALDOWGLABLJZ-QGZVFWFLSA-N 0 3 314.385 2.839 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000093866202 398649029 /nfs/dbraw/zinc/64/90/29/398649029.db2.gz KQALDOWGLABLJZ-QGZVFWFLSA-N 0 3 314.385 2.839 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000093866202 398649031 /nfs/dbraw/zinc/64/90/31/398649031.db2.gz KQALDOWGLABLJZ-QGZVFWFLSA-N 0 3 314.385 2.839 20 10 DFCDHN CN(C)Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000072844049 191237501 /nfs/dbraw/zinc/23/75/01/191237501.db2.gz VVYSDKWZGQELJP-UHFFFAOYSA-N 0 3 311.429 2.744 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2COc3c(cccc3OC)C2)c1 ZINC000019635405 182134125 /nfs/dbraw/zinc/13/41/25/182134125.db2.gz FVNJIIAPJOLZQA-AWEZNQCLSA-N 0 3 315.369 2.503 20 10 DFCDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000366815224 335049598 /nfs/dbraw/zinc/04/95/98/335049598.db2.gz ZNCSXFGINUDESG-VKJFTORMSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000366815224 335049600 /nfs/dbraw/zinc/04/96/00/335049600.db2.gz ZNCSXFGINUDESG-VKJFTORMSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000366815224 335049602 /nfs/dbraw/zinc/04/96/02/335049602.db2.gz ZNCSXFGINUDESG-VKJFTORMSA-N 0 3 305.418 2.859 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000272433928 130030440 /nfs/dbraw/zinc/03/04/40/130030440.db2.gz NQBDGWWQOMPHJE-CYBMUJFWSA-N 0 3 307.340 2.611 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)c([O-])c1 ZINC000272696277 130054176 /nfs/dbraw/zinc/05/41/76/130054176.db2.gz XWIJDVRSRXBFTJ-RHSMWYFYSA-N 0 3 304.434 2.707 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)c([O-])c1 ZINC000272696277 130054178 /nfs/dbraw/zinc/05/41/78/130054178.db2.gz XWIJDVRSRXBFTJ-RHSMWYFYSA-N 0 3 304.434 2.707 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370975 130112940 /nfs/dbraw/zinc/11/29/40/130112940.db2.gz CJWFGNUPUSKCOO-YNEHKIRRSA-N 0 3 307.394 2.824 20 10 DFCDHN C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370975 130112943 /nfs/dbraw/zinc/11/29/43/130112943.db2.gz CJWFGNUPUSKCOO-YNEHKIRRSA-N 0 3 307.394 2.824 20 10 DFCDHN C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000273617785 130145957 /nfs/dbraw/zinc/14/59/57/130145957.db2.gz YACPOLSJALIYIX-CYBMUJFWSA-N 0 3 316.445 2.967 20 10 DFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000273976029 130193123 /nfs/dbraw/zinc/19/31/23/130193123.db2.gz TWHRORQGUBAIFR-CQSZACIVSA-N 0 3 304.356 2.886 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCCCCS(C)(=O)=O)c([O-])c1C ZINC000274800258 130262013 /nfs/dbraw/zinc/26/20/13/130262013.db2.gz QWGQPINBMBSABG-AWEZNQCLSA-N 0 3 313.463 2.875 20 10 DFCDHN CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-])C1CC1 ZINC000275846892 130396409 /nfs/dbraw/zinc/39/64/09/130396409.db2.gz WOBULPOSXMADPS-SFHVURJKSA-N 0 3 316.445 2.984 20 10 DFCDHN CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-])C1CC1 ZINC000275846892 130396414 /nfs/dbraw/zinc/39/64/14/130396414.db2.gz WOBULPOSXMADPS-SFHVURJKSA-N 0 3 316.445 2.984 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285016604 131131561 /nfs/dbraw/zinc/13/15/61/131131561.db2.gz HHQUYKGJNGTABX-LJQANCHMSA-N 0 3 313.397 2.927 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285016604 131131562 /nfs/dbraw/zinc/13/15/62/131131562.db2.gz HHQUYKGJNGTABX-LJQANCHMSA-N 0 3 313.397 2.927 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c([O-])c1 ZINC000285084238 131137104 /nfs/dbraw/zinc/13/71/04/131137104.db2.gz JQXALJBHRZZBGM-CQSZACIVSA-N 0 3 313.463 2.875 20 10 DFCDHN Oc1cc2c(cc1CN1CCC=C(c3ccncc3)C1)OCO2 ZINC000285197052 131146763 /nfs/dbraw/zinc/14/67/63/131146763.db2.gz SHLFXAZCBFVPNC-UHFFFAOYSA-N 0 3 310.353 2.805 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]CCn2cc(Br)cn2)cc1C ZINC000285575297 131182066 /nfs/dbraw/zinc/18/20/66/131182066.db2.gz UPOFQFUINKAEOR-UHFFFAOYSA-N 0 3 324.222 2.758 20 10 DFCDHN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccccc1[O-] ZINC000285698707 131194236 /nfs/dbraw/zinc/19/42/36/131194236.db2.gz OTIZIJVHHBGLFK-AWEZNQCLSA-N 0 3 311.447 2.790 20 10 DFCDHN CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(F)cc1[O-] ZINC000285850817 131205491 /nfs/dbraw/zinc/20/54/91/131205491.db2.gz XUYBYUYWJFGEDS-QGZVFWFLSA-N 0 3 323.456 2.600 20 10 DFCDHN CC[C@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000286260948 131227589 /nfs/dbraw/zinc/22/75/89/131227589.db2.gz VCVXAVNQBYGVMI-PBHICJAKSA-N 0 3 323.456 2.598 20 10 DFCDHN COc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1[O-] ZINC000289464519 131388543 /nfs/dbraw/zinc/38/85/43/131388543.db2.gz OTDXNGWCLFJIPT-ZYHUDNBSSA-N 0 3 305.296 2.600 20 10 DFCDHN CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000289521086 131392807 /nfs/dbraw/zinc/39/28/07/131392807.db2.gz PHLHUDMGWVIYOK-OAHLLOKOSA-N 0 3 306.406 2.801 20 10 DFCDHN CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000289521086 131392808 /nfs/dbraw/zinc/39/28/08/131392808.db2.gz PHLHUDMGWVIYOK-OAHLLOKOSA-N 0 3 306.406 2.801 20 10 DFCDHN Cc1cccc(C(=O)NCC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295950080 131930875 /nfs/dbraw/zinc/93/08/75/131930875.db2.gz LJNSHVQHARLAIE-MRXNPFEDSA-N 0 3 310.397 2.708 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)cc1OC ZINC000292747684 543017146 /nfs/dbraw/zinc/01/71/46/543017146.db2.gz IDAYJMVTHWAORM-KRWDZBQOSA-N 0 3 323.433 2.686 20 10 DFCDHN CN(C)c1ccc(CN(C)C(=O)CN(C)C2CCCC2)cc1 ZINC000053814199 425888714 /nfs/dbraw/zinc/88/87/14/425888714.db2.gz GKQGRJQZMFPMDX-UHFFFAOYSA-N 0 3 303.450 2.585 20 10 DFCDHN COC[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000124599100 425928324 /nfs/dbraw/zinc/92/83/24/425928324.db2.gz QRUGZJQOHPLQBX-LLVKDONJSA-N 0 3 314.223 2.931 20 10 DFCDHN COC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000124599100 425928326 /nfs/dbraw/zinc/92/83/26/425928326.db2.gz QRUGZJQOHPLQBX-LLVKDONJSA-N 0 3 314.223 2.931 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(c3nncn3C)CC2)cc1C ZINC000126205616 426009997 /nfs/dbraw/zinc/00/99/97/426009997.db2.gz GCRVHQLOTASVIH-UHFFFAOYSA-N 0 3 300.406 2.517 20 10 DFCDHN CC[C@H]1CCCCN1CCNC(=O)N(C)Cc1ccccc1O ZINC000077644849 426141455 /nfs/dbraw/zinc/14/14/55/426141455.db2.gz KBPZIJKCJGVVBG-INIZCTEOSA-N 0 3 319.449 2.798 20 10 DFCDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000170902084 426158754 /nfs/dbraw/zinc/15/87/54/426158754.db2.gz OBIMGUKOAOQNOD-GOSISDBHSA-N 0 3 315.461 2.777 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000089638291 426299804 /nfs/dbraw/zinc/29/98/04/426299804.db2.gz TVFGPJAZDURHTF-UONOGXRCSA-N 0 3 312.479 2.617 20 10 DFCDHN CC[C@H](N[C@@H]1CCN(C(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000089728991 426304956 /nfs/dbraw/zinc/30/49/56/426304956.db2.gz XGQSWJBZYWGSFF-DLBZAZTESA-N 0 3 303.450 2.803 20 10 DFCDHN CC(C)(C)OC1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000120668838 426313218 /nfs/dbraw/zinc/31/32/18/426313218.db2.gz JJIWBGJPWOBMDS-UHFFFAOYSA-N 0 3 307.390 2.900 20 10 DFCDHN CN(C)c1cccc(CN(C)Cc2cc3c(cc2O)OCO3)c1 ZINC000120619131 426313979 /nfs/dbraw/zinc/31/39/79/426313979.db2.gz SEYYVEPHAFIJPL-UHFFFAOYSA-N 0 3 314.385 2.819 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC(n3ccnc3)CC2)c1O ZINC000175663926 426320446 /nfs/dbraw/zinc/32/04/46/426320446.db2.gz KDFRKAZSDPFMPC-UHFFFAOYSA-N 0 3 317.364 2.768 20 10 DFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccccc1F ZINC000121140892 426321590 /nfs/dbraw/zinc/32/15/90/426321590.db2.gz YXCYCAUSPVBNEM-MRXNPFEDSA-N 0 3 319.376 2.541 20 10 DFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCc1ccccc1F ZINC000121140892 426321591 /nfs/dbraw/zinc/32/15/91/426321591.db2.gz YXCYCAUSPVBNEM-MRXNPFEDSA-N 0 3 319.376 2.541 20 10 DFCDHN CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000122917573 426402672 /nfs/dbraw/zinc/40/26/72/426402672.db2.gz WIIJNVLHPBKPTJ-OAHLLOKOSA-N 0 3 315.417 2.997 20 10 DFCDHN CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000122917573 426402673 /nfs/dbraw/zinc/40/26/73/426402673.db2.gz WIIJNVLHPBKPTJ-OAHLLOKOSA-N 0 3 315.417 2.997 20 10 DFCDHN Nc1ccc(CCNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000152566071 426347284 /nfs/dbraw/zinc/34/72/84/426347284.db2.gz OAJHFUPXDDWTCL-UHFFFAOYSA-N 0 3 323.440 2.837 20 10 DFCDHN CCOc1cccc(CN2CCC[C@@H](n3cccn3)C2)c1O ZINC000092967560 426353322 /nfs/dbraw/zinc/35/33/22/426353322.db2.gz NGKZYXMBOXCVMY-OAHLLOKOSA-N 0 3 301.390 2.825 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1[O-] ZINC000092967560 426353325 /nfs/dbraw/zinc/35/33/25/426353325.db2.gz NGKZYXMBOXCVMY-OAHLLOKOSA-N 0 3 301.390 2.825 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)c1[O-] ZINC000092967560 426353326 /nfs/dbraw/zinc/35/33/26/426353326.db2.gz NGKZYXMBOXCVMY-OAHLLOKOSA-N 0 3 301.390 2.825 20 10 DFCDHN Cc1cc([O-])c(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1C ZINC000122097784 426357316 /nfs/dbraw/zinc/35/73/16/426357316.db2.gz AOSJBAJDBYRXHK-UHFFFAOYSA-N 0 3 312.413 2.887 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+](CCC(N)=O)Cc2ccccc2)cc1C ZINC000122097784 426357317 /nfs/dbraw/zinc/35/73/17/426357317.db2.gz AOSJBAJDBYRXHK-UHFFFAOYSA-N 0 3 312.413 2.887 20 10 DFCDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000098030563 426476201 /nfs/dbraw/zinc/47/62/01/426476201.db2.gz RPQWJVXJLKXJQL-LSDHHAIUSA-N 0 3 319.449 2.654 20 10 DFCDHN CCOc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280411655 426570189 /nfs/dbraw/zinc/57/01/89/426570189.db2.gz HYRZHUSCEQYYPE-DEYYWGMASA-N 0 3 321.417 2.559 20 10 DFCDHN COc1cccc(C[N@H+](C)CCCN(C)Cc2ccco2)c1[O-] ZINC000289664607 426670778 /nfs/dbraw/zinc/67/07/78/426670778.db2.gz DCYBPHJTKVHDLI-UHFFFAOYSA-N 0 3 318.417 2.948 20 10 DFCDHN COc1cccc(C[N@@H+](C)CCCN(C)Cc2ccco2)c1[O-] ZINC000289664607 426670785 /nfs/dbraw/zinc/67/07/85/426670785.db2.gz DCYBPHJTKVHDLI-UHFFFAOYSA-N 0 3 318.417 2.948 20 10 DFCDHN CC(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000289725699 426673584 /nfs/dbraw/zinc/67/35/84/426673584.db2.gz GKAISEWEILCCBL-MRXNPFEDSA-N 0 3 305.418 2.988 20 10 DFCDHN CC(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000289725699 426673589 /nfs/dbraw/zinc/67/35/89/426673589.db2.gz GKAISEWEILCCBL-MRXNPFEDSA-N 0 3 305.418 2.988 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O)OCO2 ZINC000281296483 426709721 /nfs/dbraw/zinc/70/97/21/426709721.db2.gz PKXMAHCRDNPFRG-RBSFLKMASA-N 0 3 319.401 2.636 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O)OCO2 ZINC000281296483 426709726 /nfs/dbraw/zinc/70/97/26/426709726.db2.gz PKXMAHCRDNPFRG-RBSFLKMASA-N 0 3 319.401 2.636 20 10 DFCDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(OC)ccc1O ZINC000245923141 426782405 /nfs/dbraw/zinc/78/24/05/426782405.db2.gz YGNJPCITBDESDA-RCBQFDQVSA-N 0 3 319.401 2.707 20 10 DFCDHN C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000290609429 426804223 /nfs/dbraw/zinc/80/42/23/426804223.db2.gz WJHWMTLJLZBGMD-OCCSQVGLSA-N 0 3 306.406 2.880 20 10 DFCDHN C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[O-] ZINC000290609429 426804227 /nfs/dbraw/zinc/80/42/27/426804227.db2.gz WJHWMTLJLZBGMD-OCCSQVGLSA-N 0 3 306.406 2.880 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCCC13CCOCC3)OCO2 ZINC000282717048 426920361 /nfs/dbraw/zinc/92/03/61/426920361.db2.gz PZDLQMWJWUUQSV-MRXNPFEDSA-N 0 3 305.374 2.560 20 10 DFCDHN CCCOc1ccc(CN2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC000291162130 426877437 /nfs/dbraw/zinc/87/74/37/426877437.db2.gz CPVICPPQJCTLLF-CYBMUJFWSA-N 0 3 315.360 2.631 20 10 DFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283323310 426995289 /nfs/dbraw/zinc/99/52/89/426995289.db2.gz ZUQBAGZSZJDYNA-INIZCTEOSA-N 0 3 324.424 2.986 20 10 DFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283323310 426995296 /nfs/dbraw/zinc/99/52/96/426995296.db2.gz ZUQBAGZSZJDYNA-INIZCTEOSA-N 0 3 324.424 2.986 20 10 DFCDHN O=C(CC[NH2+][C@H]1CCc2cccc([O-])c21)NC1CCCCC1 ZINC000296060642 427060799 /nfs/dbraw/zinc/06/07/99/427060799.db2.gz ROKMEMXWSFCNCF-HNNXBMFYSA-N 0 3 302.418 2.808 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)c([O-])c1C ZINC000283446616 427014869 /nfs/dbraw/zinc/01/48/69/427014869.db2.gz UIBXXDPSXOWHFO-DZGCQCFKSA-N 0 3 302.418 2.861 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)CC2 ZINC000295812138 427018168 /nfs/dbraw/zinc/01/81/68/427018168.db2.gz CTTAABXSDRRKQV-WCQYABFASA-N 0 3 314.351 2.853 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccccc1Cn1cncn1)CC2 ZINC000295950190 427023136 /nfs/dbraw/zinc/02/31/36/427023136.db2.gz LLKXMAWZWGFFPE-QGZVFWFLSA-N 0 3 320.396 2.809 20 10 DFCDHN COc1cc(O)c(CN2CCOC[C@H](C3CCC3)C2)cc1OC ZINC000292064973 427073877 /nfs/dbraw/zinc/07/38/77/427073877.db2.gz KIZSGLNICNYLQA-OAHLLOKOSA-N 0 3 321.417 2.658 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1OC ZINC000292064973 427073885 /nfs/dbraw/zinc/07/38/85/427073885.db2.gz KIZSGLNICNYLQA-OAHLLOKOSA-N 0 3 321.417 2.658 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1OC ZINC000292064973 427073889 /nfs/dbraw/zinc/07/38/89/427073889.db2.gz KIZSGLNICNYLQA-OAHLLOKOSA-N 0 3 321.417 2.658 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH+](C)C)CC2)c1[O-] ZINC000277215989 427137997 /nfs/dbraw/zinc/13/79/97/427137997.db2.gz NPYZXQZUYVFHPI-OAHLLOKOSA-N 0 3 308.397 2.650 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1[O-] ZINC000277441762 427206794 /nfs/dbraw/zinc/20/67/94/427206794.db2.gz DWANRFAUPQRLFJ-INIZCTEOSA-N 0 3 304.434 2.897 20 10 DFCDHN COc1cc(N2CCN(CCC(C)C)CC2)cc(OC)c1OC ZINC000183696849 427323160 /nfs/dbraw/zinc/32/31/60/427323160.db2.gz PZOLJQGGMMUDOF-UHFFFAOYSA-N 0 3 322.449 2.881 20 10 DFCDHN CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297791323 427454912 /nfs/dbraw/zinc/45/49/12/427454912.db2.gz PYLFXYULFBWDML-QGZVFWFLSA-N 0 3 324.424 2.914 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCO[C@H](c2cncn2C)C1)c1ccccc1[O-] ZINC000278874996 427485289 /nfs/dbraw/zinc/48/52/89/427485289.db2.gz CCIIOILBUYIVGD-DCGLDWPTSA-N 0 3 301.390 2.697 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278306550 427426124 /nfs/dbraw/zinc/42/61/24/427426124.db2.gz DUWSBRSBHXQRKD-YGRLFVJLSA-N 0 3 319.323 2.536 20 10 DFCDHN CCC1(O)CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000271169042 427427019 /nfs/dbraw/zinc/42/70/19/427427019.db2.gz DAWMXMSMMIVTFF-UHFFFAOYSA-N 0 3 314.223 2.892 20 10 DFCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000278306757 427427309 /nfs/dbraw/zinc/42/73/09/427427309.db2.gz DWTTVJYKJFXOEH-TZMCWYRMSA-N 0 3 306.406 2.737 20 10 DFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000278306757 427427317 /nfs/dbraw/zinc/42/73/17/427427317.db2.gz DWTTVJYKJFXOEH-TZMCWYRMSA-N 0 3 306.406 2.737 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293763116 427428735 /nfs/dbraw/zinc/42/87/35/427428735.db2.gz XXJHEFQVQQAIBF-QGZVFWFLSA-N 0 3 303.402 2.792 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293763116 427428742 /nfs/dbraw/zinc/42/87/42/427428742.db2.gz XXJHEFQVQQAIBF-QGZVFWFLSA-N 0 3 303.402 2.792 20 10 DFCDHN Cc1nc(F)ccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000278350060 427430582 /nfs/dbraw/zinc/43/05/82/427430582.db2.gz HVSJRVONKAIUBG-UHFFFAOYSA-N 0 3 315.392 2.656 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000271179370 427434020 /nfs/dbraw/zinc/43/40/20/427434020.db2.gz GUGDBXCJNSJONF-UHFFFAOYSA-N 0 3 301.390 2.894 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000184698449 427519984 /nfs/dbraw/zinc/51/99/84/427519984.db2.gz IYDYHHQKHGMCBL-SMDDNHRTSA-N 0 3 312.841 2.969 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000184698449 427519991 /nfs/dbraw/zinc/51/99/91/427519991.db2.gz IYDYHHQKHGMCBL-SMDDNHRTSA-N 0 3 312.841 2.969 20 10 DFCDHN COc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000263673052 427537413 /nfs/dbraw/zinc/53/74/13/427537413.db2.gz KHKGKLJOUAEXPA-UHFFFAOYSA-N 0 3 318.339 2.517 20 10 DFCDHN CNC(=O)CNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000263720189 427549257 /nfs/dbraw/zinc/54/92/57/427549257.db2.gz VYNTVGIWMORYBQ-UHFFFAOYSA-N 0 3 306.450 2.823 20 10 DFCDHN C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000271617586 427582345 /nfs/dbraw/zinc/58/23/45/427582345.db2.gz CDWBRDPOPQFNMG-GFCCVEGCSA-N 0 3 320.414 2.615 20 10 DFCDHN Cc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1[O-] ZINC000271826445 427588459 /nfs/dbraw/zinc/58/84/59/427588459.db2.gz NXTATDMCSKPHFC-QGZVFWFLSA-N 0 3 307.340 2.976 20 10 DFCDHN CCC1(C[NH2+]Cc2cc(OC)c(OC)cc2[O-])CCOCC1 ZINC000271826521 427588853 /nfs/dbraw/zinc/58/88/53/427588853.db2.gz NZFPZNIGFGDQMC-UHFFFAOYSA-N 0 3 309.406 2.706 20 10 DFCDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000185114794 427595141 /nfs/dbraw/zinc/59/51/41/427595141.db2.gz JIZIAVXNAGRYTL-OCCSQVGLSA-N 0 3 312.841 2.543 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c1 ZINC000185097710 427595309 /nfs/dbraw/zinc/59/53/09/427595309.db2.gz OOSIRJQFDGPZKR-PXAZEXFGSA-N 0 3 317.385 2.794 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000185340559 427636402 /nfs/dbraw/zinc/63/64/02/427636402.db2.gz SVAKIGWKOSJHAV-LBPRGKRZSA-N 0 3 324.421 2.966 20 10 DFCDHN CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(C)ccc1O ZINC000185866216 427721487 /nfs/dbraw/zinc/72/14/87/427721487.db2.gz VZOCSJBKHYTEFG-GFCCVEGCSA-N 0 3 303.406 2.856 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCNc2ccccn2)c1 ZINC000185659597 427685803 /nfs/dbraw/zinc/68/58/03/427685803.db2.gz ABIKJDGHIBNVRR-ZDUSSCGKSA-N 0 3 301.390 2.949 20 10 DFCDHN CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(C)cc1[O-] ZINC000280001713 427726345 /nfs/dbraw/zinc/72/63/45/427726345.db2.gz FZPXGDIUQUPQSZ-QGZVFWFLSA-N 0 3 304.434 3.000 20 10 DFCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000186021508 427740626 /nfs/dbraw/zinc/74/06/26/427740626.db2.gz MRNNFOXSILWJPF-JQWIXIFHSA-N 0 3 316.323 2.514 20 10 DFCDHN C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000186088924 427746636 /nfs/dbraw/zinc/74/66/36/427746636.db2.gz XTIXPFIKKPAPGZ-WFASDCNBSA-N 0 3 314.429 2.685 20 10 DFCDHN C[C@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1cc(F)ccc1[O-] ZINC000359962999 428096668 /nfs/dbraw/zinc/09/66/68/428096668.db2.gz XUMVXDVBBWCMOQ-GXTWGEPZSA-N 0 3 316.380 2.641 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)cc1OC ZINC000371862540 428407425 /nfs/dbraw/zinc/40/74/25/428407425.db2.gz CUDYWWCYPWQHDB-ZDUSSCGKSA-N 0 3 321.417 2.800 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)cc1OC ZINC000371862540 428407436 /nfs/dbraw/zinc/40/74/36/428407436.db2.gz CUDYWWCYPWQHDB-ZDUSSCGKSA-N 0 3 321.417 2.800 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](c3ccco3)C2)cc1OC ZINC000371365090 428384777 /nfs/dbraw/zinc/38/47/77/428384777.db2.gz BLIVKYQLJIKEIZ-LBPRGKRZSA-N 0 3 303.358 2.992 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](c3ccco3)C2)cc1OC ZINC000371365090 428384783 /nfs/dbraw/zinc/38/47/83/428384783.db2.gz BLIVKYQLJIKEIZ-LBPRGKRZSA-N 0 3 303.358 2.992 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000372435628 428445797 /nfs/dbraw/zinc/44/57/97/428445797.db2.gz MLSJCGPLSRSKEP-CQSZACIVSA-N 0 3 313.401 2.961 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000372435628 428445800 /nfs/dbraw/zinc/44/58/00/428445800.db2.gz MLSJCGPLSRSKEP-CQSZACIVSA-N 0 3 313.401 2.961 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372500513 428455016 /nfs/dbraw/zinc/45/50/16/428455016.db2.gz CFRAAXOQMJLJNF-HOCLYGCPSA-N 0 3 302.418 2.834 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000372500513 428455021 /nfs/dbraw/zinc/45/50/21/428455021.db2.gz CFRAAXOQMJLJNF-HOCLYGCPSA-N 0 3 302.418 2.834 20 10 DFCDHN CCCC(=O)N1CCCN([C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000372601346 428474025 /nfs/dbraw/zinc/47/40/25/428474025.db2.gz RXMZYVXKYCPFKR-AWEZNQCLSA-N 0 3 320.433 2.796 20 10 DFCDHN COc1cccc(CN2CC(C)(C)O[C@]3(CCCOC3)C2)c1O ZINC000373605270 428618834 /nfs/dbraw/zinc/61/88/34/428618834.db2.gz WWAUOBDSCPGZKU-GOSISDBHSA-N 0 3 321.417 2.561 20 10 DFCDHN CCOc1cccc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000373638009 428624684 /nfs/dbraw/zinc/62/46/84/428624684.db2.gz LUMSXLRAUXZKGJ-KBXCAEBGSA-N 0 3 321.417 2.561 20 10 DFCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000373738113 428643808 /nfs/dbraw/zinc/64/38/08/428643808.db2.gz NFPBDAFAUPERTA-SIIHOXLZSA-N 0 3 310.397 2.631 20 10 DFCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000373738113 428643814 /nfs/dbraw/zinc/64/38/14/428643814.db2.gz NFPBDAFAUPERTA-SIIHOXLZSA-N 0 3 310.397 2.631 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)c([O-])c1C ZINC000374514804 428690387 /nfs/dbraw/zinc/69/03/87/428690387.db2.gz PTWDDNUWGILKJJ-NUEKZKHPSA-N 0 3 302.418 2.813 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000363860135 429000686 /nfs/dbraw/zinc/00/06/86/429000686.db2.gz GHESAQCIPMAOOJ-SMDDNHRTSA-N 0 3 313.401 2.707 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccccc1[O-] ZINC000376521499 429128490 /nfs/dbraw/zinc/12/84/90/429128490.db2.gz RXNILGKBMWNDCU-CVEARBPZSA-N 0 3 315.417 2.699 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000363910109 429137734 /nfs/dbraw/zinc/13/77/34/429137734.db2.gz UGENOJRGMCGPKA-VXGBXAGGSA-N 0 3 311.809 2.913 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000363910109 429137738 /nfs/dbraw/zinc/13/77/38/429137738.db2.gz UGENOJRGMCGPKA-VXGBXAGGSA-N 0 3 311.809 2.913 20 10 DFCDHN CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000364290211 429176976 /nfs/dbraw/zinc/17/69/76/429176976.db2.gz LSEMAJKYIDPEIC-OAHLLOKOSA-N 0 3 300.406 2.692 20 10 DFCDHN CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000364290211 429176980 /nfs/dbraw/zinc/17/69/80/429176980.db2.gz LSEMAJKYIDPEIC-OAHLLOKOSA-N 0 3 300.406 2.692 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365256884 429289087 /nfs/dbraw/zinc/28/90/87/429289087.db2.gz PNIVACQOEKCDJF-AUUYWEPGSA-N 0 3 313.397 2.786 20 10 DFCDHN COc1ccc(O)c(CN[C@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365256884 429289088 /nfs/dbraw/zinc/28/90/88/429289088.db2.gz PNIVACQOEKCDJF-AUUYWEPGSA-N 0 3 313.397 2.786 20 10 DFCDHN O=C(C=Cc1c[nH]cn1)N(CCN1CCCC1)c1ccccc1 ZINC000492871290 429634811 /nfs/dbraw/zinc/63/48/11/429634811.db2.gz XFLZSWUUNBLNHE-HJWRWDBZSA-N 0 3 310.401 2.552 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c([O-])c1C ZINC000367439161 429647847 /nfs/dbraw/zinc/64/78/47/429647847.db2.gz RXDCPNRGPWCYII-NUTKFTJISA-N 0 3 302.418 2.717 20 10 DFCDHN CCC[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)N(C)C ZINC000121148114 276038762 /nfs/dbraw/zinc/03/87/62/276038762.db2.gz TWTBMEOGXZEEAJ-MRXNPFEDSA-N 0 3 304.434 2.618 20 10 DFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)CO)c1[O-] ZINC000187052249 301070556 /nfs/dbraw/zinc/07/05/56/301070556.db2.gz RZJCXJSGTLKVQT-WCBMZHEXSA-N 0 3 302.212 2.742 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)CN(C)C)c1[O-] ZINC000289843148 301070611 /nfs/dbraw/zinc/07/06/11/301070611.db2.gz PLLQIYGZYWIMSF-JTQLQIEISA-N 0 3 301.228 2.503 20 10 DFCDHN CCC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(C)C ZINC000179496992 333151311 /nfs/dbraw/zinc/15/13/11/333151311.db2.gz BBCBBSYKDZBWPL-KRWDZBQOSA-N 0 3 303.450 2.633 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c([O-])c1 ZINC000185492369 333209290 /nfs/dbraw/zinc/20/92/90/333209290.db2.gz DBJPXTAWJMIBRQ-JKSUJKDBSA-N 0 3 318.461 2.852 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185639152 333211373 /nfs/dbraw/zinc/21/13/73/333211373.db2.gz LLWCPMXZRAICFW-UHFFFAOYSA-N 0 3 313.397 2.884 20 10 DFCDHN COc1ccc(O)c(CN2CCC(O)(c3ccccc3)CC2)c1 ZINC000185639152 333211375 /nfs/dbraw/zinc/21/13/75/333211375.db2.gz LLWCPMXZRAICFW-UHFFFAOYSA-N 0 3 313.397 2.884 20 10 DFCDHN Cc1cc(Br)cc(CN2CCC[C@H](O)[C@H]2C)c1O ZINC000294958453 335129239 /nfs/dbraw/zinc/12/92/39/335129239.db2.gz IDTDWRIGAIYTPT-MFKMUULPSA-N 0 3 314.223 2.808 20 10 DFCDHN CCOc1cccc(CN(C)[C@@H](CO)c2ccccc2)c1O ZINC000294977955 335129448 /nfs/dbraw/zinc/12/94/48/335129448.db2.gz GIIBJGXYFCMMIS-INIZCTEOSA-N 0 3 301.386 2.956 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)c([O-])c1 ZINC000295003425 335129856 /nfs/dbraw/zinc/12/98/56/335129856.db2.gz IRDSSHLXOXFHQH-TZMCWYRMSA-N 0 3 303.349 2.675 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000121343586 333385828 /nfs/dbraw/zinc/38/58/28/333385828.db2.gz BAPKVYLHIUVCOQ-UHFFFAOYSA-N 0 3 313.401 2.554 20 10 DFCDHN CC[C@@H](NCC1(S(C)(=O)=O)CCC1)c1ccc(N(C)C)cc1 ZINC000280931018 334121276 /nfs/dbraw/zinc/12/12/76/334121276.db2.gz IFBPRIRHNWTAIX-MRXNPFEDSA-N 0 3 324.490 2.761 20 10 DFCDHN COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H]1CCc3cccc([O-])c31)C2 ZINC000296833273 334237038 /nfs/dbraw/zinc/23/70/38/334237038.db2.gz MQRNXJQBYLKAKX-GOEBONIOSA-N 0 3 311.381 2.981 20 10 DFCDHN CCCN1CCC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352134263 336196108 /nfs/dbraw/zinc/19/61/08/336196108.db2.gz IKNSEJYZVZNZHK-KRWDZBQOSA-N 0 3 313.445 2.977 20 10 DFCDHN Cn1ccc(N2CC[C@H]([NH2+]Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000367698973 336828205 /nfs/dbraw/zinc/82/82/05/336828205.db2.gz OUDCHZMHYMSMCV-HNNXBMFYSA-N 0 3 322.412 2.647 20 10 DFCDHN COc1cccc(C[NH+]2CCC(n3cc(C)cn3)CC2)c1[O-] ZINC000371403700 336903023 /nfs/dbraw/zinc/90/30/23/336903023.db2.gz VXVGEUXBDBIKSJ-UHFFFAOYSA-N 0 3 301.390 2.743 20 10 DFCDHN C[C@H]([NH2+]C[C@H]1CCC[C@H]1N1CCOCC1)c1ccccc1[O-] ZINC000371681557 336910521 /nfs/dbraw/zinc/91/05/21/336910521.db2.gz ROQGURLERIANNP-ZMSDIMECSA-N 0 3 304.434 2.544 20 10 DFCDHN CC(C)n1ncc2c1C[C@H]([NH2+]Cc1cc(F)ccc1[O-])CC2 ZINC000372813912 336940637 /nfs/dbraw/zinc/94/06/37/336940637.db2.gz WXPGSEYRVDFMIY-OAHLLOKOSA-N 0 3 303.381 2.956 20 10 DFCDHN COCCn1ncc2c1[C@H](NCc1cccc(C)c1O)CCC2 ZINC000375207531 337005888 /nfs/dbraw/zinc/00/58/88/337005888.db2.gz MDCLDBDZRHVFIR-MRXNPFEDSA-N 0 3 315.417 2.711 20 10 DFCDHN COCCn1ncc2c1[C@H]([NH2+]Cc1cccc(C)c1[O-])CCC2 ZINC000375207531 337005889 /nfs/dbraw/zinc/00/58/89/337005889.db2.gz MDCLDBDZRHVFIR-MRXNPFEDSA-N 0 3 315.417 2.711 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)c1 ZINC000375843840 337021047 /nfs/dbraw/zinc/02/10/47/337021047.db2.gz BRXSAIXUWUCWTR-OLZOCXBDSA-N 0 3 301.390 2.826 20 10 DFCDHN CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])CC2 ZINC000375851591 337021459 /nfs/dbraw/zinc/02/14/59/337021459.db2.gz UYCAAFBKOUVMAU-QWHCGFSZSA-N 0 3 300.406 2.520 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1[O-] ZINC000376045744 337025801 /nfs/dbraw/zinc/02/58/01/337025801.db2.gz OSDRAHZZWKEPMH-OAHLLOKOSA-N 0 3 315.417 2.904 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1[O-] ZINC000376045744 337025802 /nfs/dbraw/zinc/02/58/02/337025802.db2.gz OSDRAHZZWKEPMH-OAHLLOKOSA-N 0 3 315.417 2.904 20 10 DFCDHN CC[C@H]1CN(Cc2cc(OC)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000376440033 337033456 /nfs/dbraw/zinc/03/34/56/337033456.db2.gz DPQUBKKLMGIPPJ-MAUKXSAKSA-N 0 3 321.417 2.561 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000376650277 337039099 /nfs/dbraw/zinc/03/90/99/337039099.db2.gz FHZVLBGSIPJSPO-UHFFFAOYSA-N 0 3 316.361 2.642 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000377616795 337056470 /nfs/dbraw/zinc/05/64/70/337056470.db2.gz QVBBOFGXSZBTLX-SOLBZPMBSA-N 0 3 318.461 2.764 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1CN1CCC[C@H]1CO ZINC000377616795 337056471 /nfs/dbraw/zinc/05/64/71/337056471.db2.gz QVBBOFGXSZBTLX-SOLBZPMBSA-N 0 3 318.461 2.764 20 10 DFCDHN CCOCc1cc(CN[C@H]2CCO[C@H]2C2CC2)ccc1OC ZINC000378310133 337069669 /nfs/dbraw/zinc/06/96/69/337069669.db2.gz GVKXLZTXQZDKDU-WMZOPIPTSA-N 0 3 305.418 2.889 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1 ZINC000378350779 337070846 /nfs/dbraw/zinc/07/08/46/337070846.db2.gz PWQQPNQAHCQJHR-INIZCTEOSA-N 0 3 316.445 2.925 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1 ZINC000378350779 337070847 /nfs/dbraw/zinc/07/08/47/337070847.db2.gz PWQQPNQAHCQJHR-INIZCTEOSA-N 0 3 316.445 2.925 20 10 DFCDHN CCOC(=O)C1(C)CCN(Cc2cc(OC)ccc2O)CC1 ZINC000378535815 337075349 /nfs/dbraw/zinc/07/53/49/337075349.db2.gz AVRHTGUIAAHYTE-UHFFFAOYSA-N 0 3 307.390 2.566 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1OC ZINC000360043001 337084377 /nfs/dbraw/zinc/08/43/77/337084377.db2.gz ZUKVQAABLMNVCF-CSMYWGQOSA-N 0 3 321.417 2.703 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000194261912 337088448 /nfs/dbraw/zinc/08/84/48/337088448.db2.gz VSCBBOQRJYDLBJ-SJLPKXTDSA-N 0 3 319.493 2.623 20 10 DFCDHN COc1ccc(N2CCCN(CCC(=O)OC(C)C)CC2)cc1 ZINC000173553194 337136406 /nfs/dbraw/zinc/13/64/06/337136406.db2.gz BVNWPHCDJWZIBL-UHFFFAOYSA-N 0 3 320.433 2.549 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180070553 337173507 /nfs/dbraw/zinc/17/35/07/337173507.db2.gz KXSLBQMEURJJFT-OAHLLOKOSA-N 0 3 312.417 2.618 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180070553 337173508 /nfs/dbraw/zinc/17/35/08/337173508.db2.gz KXSLBQMEURJJFT-OAHLLOKOSA-N 0 3 312.417 2.618 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000182090696 337184361 /nfs/dbraw/zinc/18/43/61/337184361.db2.gz QBEOPRJCTRQIMU-AWEZNQCLSA-N 0 3 315.417 2.589 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000182090696 337184362 /nfs/dbraw/zinc/18/43/62/337184362.db2.gz QBEOPRJCTRQIMU-AWEZNQCLSA-N 0 3 315.417 2.589 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N[C@@]2(CO)CCc3ccccc32)c1 ZINC000359961875 337441043 /nfs/dbraw/zinc/44/10/43/337441043.db2.gz UDQOUQMYHZJYOZ-BFUOFWGJSA-N 0 3 313.397 2.885 20 10 DFCDHN CC(C(=O)N1CCOc2cc(N(C)C)ccc21)C(F)(F)F ZINC000437009398 338297670 /nfs/dbraw/zinc/29/76/70/338297670.db2.gz HRRQFLMPNJVZDL-VIFPVBQESA-N 0 3 302.296 2.676 20 10 DFCDHN COC[C@@]1([NH2+]Cc2cccc(C)c2[O-])COc2ccccc2C1 ZINC000529669150 340767431 /nfs/dbraw/zinc/76/74/31/340767431.db2.gz OUCAKHKBEQYWHB-LJQANCHMSA-N 0 3 313.397 2.811 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1[O-] ZINC000267428226 341591359 /nfs/dbraw/zinc/59/13/59/341591359.db2.gz BUZSVZOWECUAPT-INIZCTEOSA-N 0 3 320.408 2.794 20 10 DFCDHN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296225067 341716559 /nfs/dbraw/zinc/71/65/59/341716559.db2.gz AEHOLBBFKSTEGZ-WCQYABFASA-N 0 3 306.406 2.882 20 10 DFCDHN CC(=O)N(C)C1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000179877540 519441127 /nfs/dbraw/zinc/44/11/27/519441127.db2.gz ODMBUTYEXSATIJ-UHFFFAOYSA-N 0 3 310.825 2.797 20 10 DFCDHN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180019300 520674937 /nfs/dbraw/zinc/67/49/37/520674937.db2.gz BBWZIIIYBQSSHN-ZDUSSCGKSA-N 0 3 308.397 2.660 20 10 DFCDHN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180019300 520674945 /nfs/dbraw/zinc/67/49/45/520674945.db2.gz BBWZIIIYBQSSHN-ZDUSSCGKSA-N 0 3 308.397 2.660 20 10 DFCDHN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3)cc2)CC1 ZINC000236675596 521041927 /nfs/dbraw/zinc/04/19/27/521041927.db2.gz KAYTYEJOFGISHD-GOSISDBHSA-N 0 3 315.461 2.681 20 10 DFCDHN CCOc1ccc(O)c(CNCc2ccc(OC)c(O)c2)c1 ZINC000171134456 521152232 /nfs/dbraw/zinc/15/22/32/521152232.db2.gz UDGPKWIJCVKGEZ-UHFFFAOYSA-N 0 3 303.358 2.795 20 10 DFCDHN CCOc1cccc(CN2CCC[C@H]2c2cnn(C)c2)c1O ZINC000131872948 521342376 /nfs/dbraw/zinc/34/23/76/521342376.db2.gz ITMXTBUEIJQFSQ-HNNXBMFYSA-N 0 3 301.390 2.862 20 10 DFCDHN CN(C)Cc1ccccc1C(=O)NCc1ccc2c(c1)CCN2C ZINC000365960572 521931165 /nfs/dbraw/zinc/93/11/65/521931165.db2.gz CWRGQCOANRNRHF-UHFFFAOYSA-N 0 3 323.440 2.671 20 10 DFCDHN CCc1nc([C@@H]2CCCN(Cc3cc(OC)ccc3O)C2)no1 ZINC000367748576 522433888 /nfs/dbraw/zinc/43/38/88/522433888.db2.gz JFONGYSUSWPDAJ-GFCCVEGCSA-N 0 3 317.389 2.726 20 10 DFCDHN Cc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000179925281 524406990 /nfs/dbraw/zinc/40/69/90/524406990.db2.gz SKKWWNUIHGSXGE-AWEZNQCLSA-N 0 3 306.406 2.800 20 10 DFCDHN COc1ccc(N2CCN(CC[C@H]3CCCO3)CC2)cc1F ZINC000189535834 524427212 /nfs/dbraw/zinc/42/72/12/524427212.db2.gz XODXPAJPZQXLKD-OAHLLOKOSA-N 0 3 308.397 2.525 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)c1 ZINC000191612035 524774878 /nfs/dbraw/zinc/77/48/78/524774878.db2.gz GBPFUNOHCGKGBX-HOCLYGCPSA-N 0 3 315.413 2.963 20 10 DFCDHN C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H]1[NH+](C)C ZINC000131470976 524985479 /nfs/dbraw/zinc/98/54/79/524985479.db2.gz VVDGYYWAAPXXBT-MFKMUULPSA-N 0 3 313.239 2.537 20 10 DFCDHN C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(F)ccc1[O-] ZINC000185079597 525302505 /nfs/dbraw/zinc/30/25/05/525302505.db2.gz QIBIHMIPSUXHRJ-ZDUSSCGKSA-N 0 3 316.376 2.841 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000264972519 525349834 /nfs/dbraw/zinc/34/98/34/525349834.db2.gz RBXXSBUVNBNIAM-OAHLLOKOSA-N 0 3 303.377 2.781 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1 ZINC000265154768 525350781 /nfs/dbraw/zinc/35/07/81/525350781.db2.gz PMQBXTJCYPETBE-QGZVFWFLSA-N 0 3 307.340 2.976 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000265225117 525352157 /nfs/dbraw/zinc/35/21/57/525352157.db2.gz HTZMJBQAQHIMSI-MRXNPFEDSA-N 0 3 310.397 2.875 20 10 DFCDHN Cc1ccc(O)c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000264943691 525353210 /nfs/dbraw/zinc/35/32/10/525353210.db2.gz HNRUCYOKNSTLPK-QGZVFWFLSA-N 0 3 310.397 2.591 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000265225112 525354048 /nfs/dbraw/zinc/35/40/48/525354048.db2.gz HTZMJBQAQHIMSI-INIZCTEOSA-N 0 3 310.397 2.875 20 10 DFCDHN C[C@@H](NCCOCCO)c1ccc(N2CCCCCC2)cc1 ZINC000159160521 525452934 /nfs/dbraw/zinc/45/29/34/525452934.db2.gz AENWWTWVHBDBGE-MRXNPFEDSA-N 0 3 306.450 2.727 20 10 DFCDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1[O-] ZINC000179902162 525475225 /nfs/dbraw/zinc/47/52/25/525475225.db2.gz IISWXKXFDWGCBA-TZMCWYRMSA-N 0 3 305.349 2.622 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1[O-] ZINC000265150421 526018558 /nfs/dbraw/zinc/01/85/58/526018558.db2.gz OMFMZQVYSVVNIQ-QGZVFWFLSA-N 0 3 323.339 2.676 20 10 DFCDHN CC(C)[C@@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298714038 535158913 /nfs/dbraw/zinc/15/89/13/535158913.db2.gz LMKLQGCEYXPIHI-OAHLLOKOSA-N 0 3 305.466 2.687 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])[C@@]12CCCO2 ZINC000274214990 535513001 /nfs/dbraw/zinc/51/30/01/535513001.db2.gz NJICUPTZWMVGCF-BIMQEMHKSA-N 0 3 321.417 2.778 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000284400034 535752004 /nfs/dbraw/zinc/75/20/04/535752004.db2.gz AUQMEJKCEGLEFA-FUHWJXTLSA-N 0 3 314.385 2.806 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000287249624 535804840 /nfs/dbraw/zinc/80/48/40/535804840.db2.gz ZLAZETMNPOJKFX-DZGCQCFKSA-N 0 3 311.447 2.566 20 10 DFCDHN CN(C)c1ccc(CN2CCOCC3(CCOCC3)C2)cc1F ZINC000273198101 536147051 /nfs/dbraw/zinc/14/70/51/536147051.db2.gz RASMJKQUNJOQBV-UHFFFAOYSA-N 0 3 322.424 2.521 20 10 DFCDHN Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737363863 598837148 /nfs/dbraw/zinc/83/71/48/598837148.db2.gz FOZQDOYUERRHER-LBPRGKRZSA-N 0 3 309.373 2.732 20 10 DFCDHN C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820432465 599394553 /nfs/dbraw/zinc/39/45/53/599394553.db2.gz OMTBBBMGZLMUGU-CYBMUJFWSA-N 0 3 322.416 2.784 20 10 DFCDHN C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820432465 599394559 /nfs/dbraw/zinc/39/45/59/599394559.db2.gz OMTBBBMGZLMUGU-CYBMUJFWSA-N 0 3 322.416 2.784 20 10 DFCDHN CC[N@H+](C)C[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079469624 185172772 /nfs/dbraw/zinc/17/27/72/185172772.db2.gz RUMMFMFECGNPMW-ZDUSSCGKSA-N 0 3 308.397 2.508 20 10 DFCDHN CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079469624 185172773 /nfs/dbraw/zinc/17/27/73/185172773.db2.gz RUMMFMFECGNPMW-ZDUSSCGKSA-N 0 3 308.397 2.508 20 10 DFCDHN CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079469475 185172801 /nfs/dbraw/zinc/17/28/01/185172801.db2.gz ALDZOPBZALNCKE-AWEZNQCLSA-N 0 3 322.424 2.898 20 10 DFCDHN CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079469475 185172802 /nfs/dbraw/zinc/17/28/02/185172802.db2.gz ALDZOPBZALNCKE-AWEZNQCLSA-N 0 3 322.424 2.898 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC(n3ccnc3)CC2)c1[O-] ZINC000092648592 185331281 /nfs/dbraw/zinc/33/12/81/185331281.db2.gz ZHYDJSVEQILDFA-UHFFFAOYSA-N 0 3 301.390 2.825 20 10 DFCDHN CC(C)N(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299521671 534993780 /nfs/dbraw/zinc/99/37/80/534993780.db2.gz YWABGAUXVWTZIR-UHFFFAOYSA-N 0 3 303.450 2.584 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCCN(c3ncccn3)CC2)cc1C ZINC000093056495 398617024 /nfs/dbraw/zinc/61/70/24/398617024.db2.gz AGJIXQZBDMMVBJ-UHFFFAOYSA-N 0 3 312.417 2.511 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCCN(c3ncccn3)CC2)cc1C ZINC000093056495 398617026 /nfs/dbraw/zinc/61/70/26/398617026.db2.gz AGJIXQZBDMMVBJ-UHFFFAOYSA-N 0 3 312.417 2.511 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1C ZINC000093362784 398634493 /nfs/dbraw/zinc/63/44/93/398634493.db2.gz DJJQQPJZSQOCFB-QGZVFWFLSA-N 0 3 316.445 2.986 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1C ZINC000093362784 398634496 /nfs/dbraw/zinc/63/44/96/398634496.db2.gz DJJQQPJZSQOCFB-QGZVFWFLSA-N 0 3 316.445 2.986 20 10 DFCDHN C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000185491782 299272923 /nfs/dbraw/zinc/27/29/23/299272923.db2.gz PBYRBWQTALYXAJ-UONOGXRCSA-N 0 3 322.424 2.683 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1 ZINC000091833202 193114360 /nfs/dbraw/zinc/11/43/60/193114360.db2.gz MHMBLHODWXXABM-CYBMUJFWSA-N 0 3 317.389 2.862 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c1 ZINC000091833202 193114362 /nfs/dbraw/zinc/11/43/62/193114362.db2.gz MHMBLHODWXXABM-CYBMUJFWSA-N 0 3 317.389 2.862 20 10 DFCDHN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1[O-] ZINC000091956744 193132699 /nfs/dbraw/zinc/13/26/99/193132699.db2.gz QMTINAXFMXKCDX-UHFFFAOYSA-N 0 3 312.413 2.861 20 10 DFCDHN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1[O-] ZINC000091956744 193132701 /nfs/dbraw/zinc/13/27/01/193132701.db2.gz QMTINAXFMXKCDX-UHFFFAOYSA-N 0 3 312.413 2.861 20 10 DFCDHN O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000052086451 542446870 /nfs/dbraw/zinc/44/68/70/542446870.db2.gz RGKODQNQUXRXNQ-QGZVFWFLSA-N 0 3 310.397 2.788 20 10 DFCDHN O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000052086451 542446873 /nfs/dbraw/zinc/44/68/73/542446873.db2.gz RGKODQNQUXRXNQ-QGZVFWFLSA-N 0 3 310.397 2.788 20 10 DFCDHN C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000273483368 130126642 /nfs/dbraw/zinc/12/66/42/130126642.db2.gz MSLBLAKTXYTKLD-PNPHSEOMSA-N 0 3 319.376 2.667 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@H](CO)c2ccc(F)cc2)c1 ZINC000273504057 130129059 /nfs/dbraw/zinc/12/90/59/130129059.db2.gz QSZPGRVXCBAJDI-MEDUHNTESA-N 0 3 305.349 2.924 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N[C@H](CO)c2ccc(F)cc2)c1 ZINC000273504033 130129744 /nfs/dbraw/zinc/12/97/44/130129744.db2.gz QSZPGRVXCBAJDI-BDJLRTHQSA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c([O-])c1 ZINC000274414613 130232971 /nfs/dbraw/zinc/23/29/71/130232971.db2.gz SNQRSRNHYUIPOZ-GFCCVEGCSA-N 0 3 303.431 2.896 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c([O-])c1C ZINC000274659111 130251930 /nfs/dbraw/zinc/25/19/30/130251930.db2.gz VGUIOTVASGWLKG-WBVHZDCISA-N 0 3 319.493 2.686 20 10 DFCDHN CCOCc1cc(CN[C@@H]2C[C@@H](OCC)[C@H]2OC)ccc1OC ZINC000274897474 130271492 /nfs/dbraw/zinc/27/14/92/130271492.db2.gz GBHGSDFHMIKJRI-NXHRZFHOSA-N 0 3 323.433 2.514 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2nccn2C)cc1C ZINC000275666744 130358637 /nfs/dbraw/zinc/35/86/37/130358637.db2.gz VIPNAJNADCGPCC-RDJZCZTQSA-N 0 3 315.417 2.752 20 10 DFCDHN CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000275718903 130370899 /nfs/dbraw/zinc/37/08/99/130370899.db2.gz YVVCGUBMMXBRSU-YVEFUNNKSA-N 0 3 319.380 2.615 20 10 DFCDHN Cn1ccnc1[C@H](NCc1cc(F)ccc1O)C1CCOCC1 ZINC000284476276 131084626 /nfs/dbraw/zinc/08/46/26/131084626.db2.gz BBBJLNUNTPJLNJ-MRXNPFEDSA-N 0 3 319.380 2.522 20 10 DFCDHN CCn1ccnc1[C@@H](NCc1ccccc1O)C1CCOCC1 ZINC000284876981 131117725 /nfs/dbraw/zinc/11/77/25/131117725.db2.gz ZBRCQZGGSLCCRR-KRWDZBQOSA-N 0 3 315.417 2.866 20 10 DFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000285208403 131147469 /nfs/dbraw/zinc/14/74/69/131147469.db2.gz OJYRYCWCVRSCNW-GFCCVEGCSA-N 0 3 306.406 2.737 20 10 DFCDHN COc1ccc(N(C[C@@H](O)CN(C)C2CC2)C(C)C)cc1F ZINC000289352902 131377220 /nfs/dbraw/zinc/37/72/20/131377220.db2.gz LLFCOLQUPCSKJD-HNNXBMFYSA-N 0 3 310.413 2.504 20 10 DFCDHN COc1cccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1[O-] ZINC000289464507 131389157 /nfs/dbraw/zinc/38/91/57/131389157.db2.gz OTDXNGWCLFJIPT-JQWIXIFHSA-N 0 3 305.296 2.600 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCCCC2)c1 ZINC000273412821 292014088 /nfs/dbraw/zinc/01/40/88/292014088.db2.gz QDKFEJUBVBGEAW-CQSZACIVSA-N 0 3 320.433 2.705 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c([O-])c1 ZINC000155605865 425921811 /nfs/dbraw/zinc/92/18/11/425921811.db2.gz VENBVSDQDNZTMK-HNNXBMFYSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)c([O-])c1 ZINC000155605865 425921812 /nfs/dbraw/zinc/92/18/12/425921812.db2.gz VENBVSDQDNZTMK-HNNXBMFYSA-N 0 3 320.433 2.529 20 10 DFCDHN C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1[O-] ZINC000037648219 425848857 /nfs/dbraw/zinc/84/88/57/425848857.db2.gz IQZJSGOBADJFTO-NWDGAFQWSA-N 0 3 302.340 2.927 20 10 DFCDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000125960785 425998435 /nfs/dbraw/zinc/99/84/35/425998435.db2.gz MLJLKXWEECRSIS-OAHLLOKOSA-N 0 3 321.440 2.630 20 10 DFCDHN CCCOc1ccc(C[NH+]2CCC3(CC2)OCCO3)c([O-])c1 ZINC000126124640 426006725 /nfs/dbraw/zinc/00/67/25/426006725.db2.gz GKPVKCJLFQRITE-UHFFFAOYSA-N 0 3 307.390 2.520 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(CN3CCOCC3)CC2)cc1C ZINC000071966686 426006792 /nfs/dbraw/zinc/00/67/92/426006792.db2.gz HVGLFDAJMAEHDO-UHFFFAOYSA-N 0 3 318.461 2.553 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CSCCS2)c1[O-] ZINC000169091323 426136179 /nfs/dbraw/zinc/13/61/79/426136179.db2.gz OLAIVRAIYONWQB-NSHDSACASA-N 0 3 319.879 2.992 20 10 DFCDHN [O-]c1ccccc1C[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000170790714 426151064 /nfs/dbraw/zinc/15/10/64/426151064.db2.gz VGABASBDQUTSNC-OAHLLOKOSA-N 0 3 311.303 2.932 20 10 DFCDHN CCN1CC[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000079461957 426194054 /nfs/dbraw/zinc/19/40/54/426194054.db2.gz RZXFZOGXZPJZDS-SJKOYZFVSA-N 0 3 322.424 2.896 20 10 DFCDHN CCN1CC[C@@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000079461957 426194056 /nfs/dbraw/zinc/19/40/56/426194056.db2.gz RZXFZOGXZPJZDS-SJKOYZFVSA-N 0 3 322.424 2.896 20 10 DFCDHN CC[N@H+](Cc1cnn(C)c1)Cc1cc(Br)ccc1[O-] ZINC000174423801 426255973 /nfs/dbraw/zinc/25/59/73/426255973.db2.gz RNYCNDYDYCZJPM-UHFFFAOYSA-N 0 3 324.222 2.910 20 10 DFCDHN CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Br)ccc1[O-] ZINC000174423801 426255975 /nfs/dbraw/zinc/25/59/75/426255975.db2.gz RNYCNDYDYCZJPM-UHFFFAOYSA-N 0 3 324.222 2.910 20 10 DFCDHN C[C@H]1CN(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000092079312 426346171 /nfs/dbraw/zinc/34/61/71/426346171.db2.gz MCAWIUVGGOVVEE-ZDUSSCGKSA-N 0 3 324.852 2.731 20 10 DFCDHN CCOc1cccc(CN2CCC(c3noc(C)n3)CC2)c1O ZINC000092787721 426352588 /nfs/dbraw/zinc/35/25/88/426352588.db2.gz GUMYXCVXSATRGX-UHFFFAOYSA-N 0 3 317.389 2.862 20 10 DFCDHN COc1cccc(CN(C)[C@H]2CCCc3c2cnn3C)c1O ZINC000093864168 426359967 /nfs/dbraw/zinc/35/99/67/426359967.db2.gz ZTAHZYBPLMSTNE-AWEZNQCLSA-N 0 3 301.390 2.644 20 10 DFCDHN COc1cccc(CN(C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000093864167 426360416 /nfs/dbraw/zinc/36/04/16/426360416.db2.gz ZTAHZYBPLMSTNE-CQSZACIVSA-N 0 3 301.390 2.644 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000122763948 426393369 /nfs/dbraw/zinc/39/33/69/426393369.db2.gz WDGURJFPLFSRTJ-QGZVFWFLSA-N 0 3 303.450 2.585 20 10 DFCDHN CCOc1cccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1O ZINC000123698841 426449246 /nfs/dbraw/zinc/44/92/46/426449246.db2.gz IPHUKEIDXGZVDQ-RISCZKNCSA-N 0 3 319.323 2.679 20 10 DFCDHN CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000154978560 426461203 /nfs/dbraw/zinc/46/12/03/426461203.db2.gz YVRDRBZMQNLXLQ-UXLLHSPISA-N 0 3 306.450 2.932 20 10 DFCDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000098030562 426476402 /nfs/dbraw/zinc/47/64/02/426476402.db2.gz RPQWJVXJLKXJQL-HUUCEWRRSA-N 0 3 319.449 2.654 20 10 DFCDHN CCCC(=O)N[C@@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 ZINC000101539051 426484266 /nfs/dbraw/zinc/48/42/66/426484266.db2.gz KZXLRRMLYMSDIK-MRXNPFEDSA-N 0 3 304.434 2.890 20 10 DFCDHN C[C@H](O)[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280151427 426507090 /nfs/dbraw/zinc/50/70/90/426507090.db2.gz FHGPOSMFRVFENO-RYUDHWBXSA-N 0 3 316.367 2.974 20 10 DFCDHN CCOc1cc(CNCc2cccc(OC)c2O)ccc1O ZINC000264231287 426523513 /nfs/dbraw/zinc/52/35/13/426523513.db2.gz BIYAEOQZKJTYEV-UHFFFAOYSA-N 0 3 303.358 2.795 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186499704 426539886 /nfs/dbraw/zinc/53/98/86/426539886.db2.gz CEAFTKBUYGMPTP-UHFFFAOYSA-N 0 3 323.458 2.889 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186499704 426539889 /nfs/dbraw/zinc/53/98/89/426539889.db2.gz CEAFTKBUYGMPTP-UHFFFAOYSA-N 0 3 323.458 2.889 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000280377424 426561871 /nfs/dbraw/zinc/56/18/71/426561871.db2.gz FAZQSHKEZKXQSB-TZMCWYRMSA-N 0 3 309.406 2.535 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000280377424 426561876 /nfs/dbraw/zinc/56/18/76/426561876.db2.gz FAZQSHKEZKXQSB-TZMCWYRMSA-N 0 3 309.406 2.535 20 10 DFCDHN COc1cccc(CNCc2ccc(C(C)(C)O)cc2)c1O ZINC000187500704 426667448 /nfs/dbraw/zinc/66/74/48/426667448.db2.gz YBKZEPCSXGYKML-UHFFFAOYSA-N 0 3 301.386 2.918 20 10 DFCDHN COc1cccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)c1[O-] ZINC000187500704 426667451 /nfs/dbraw/zinc/66/74/51/426667451.db2.gz YBKZEPCSXGYKML-UHFFFAOYSA-N 0 3 301.386 2.918 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)c1[O-] ZINC000289597041 426668415 /nfs/dbraw/zinc/66/84/15/426668415.db2.gz KSBIRXSFJSBLNV-OAHLLOKOSA-N 0 3 320.433 2.672 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCCC[C@@H]2CCC(=O)NC)c1[O-] ZINC000289597041 426668419 /nfs/dbraw/zinc/66/84/19/426668419.db2.gz KSBIRXSFJSBLNV-OAHLLOKOSA-N 0 3 320.433 2.672 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289641168 426671808 /nfs/dbraw/zinc/67/18/08/426671808.db2.gz MKALRMSAFMPJKA-XJKSGUPXSA-N 0 3 324.852 2.649 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289641168 426671810 /nfs/dbraw/zinc/67/18/10/426671810.db2.gz MKALRMSAFMPJKA-XJKSGUPXSA-N 0 3 324.852 2.649 20 10 DFCDHN CCN(CC)c1ccc(CNC(=O)C23CCCN2CCC3)cc1 ZINC000289842027 426676062 /nfs/dbraw/zinc/67/60/62/426676062.db2.gz NFOTXOWYSFXFKF-UHFFFAOYSA-N 0 3 315.461 2.777 20 10 DFCDHN CCCOc1ccc(C[NH2+]CCc2nnc(C)s2)c([O-])c1 ZINC000289975152 426676926 /nfs/dbraw/zinc/67/69/26/426676926.db2.gz WLXJMZVZZCGGNR-UHFFFAOYSA-N 0 3 307.419 2.673 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@H]2COc3ccccc32)cc1OC ZINC000289998286 426679214 /nfs/dbraw/zinc/67/92/14/426679214.db2.gz CVHBOOMFNLABJB-ZDUSSCGKSA-N 0 3 315.369 2.675 20 10 DFCDHN CCOc1ccc(O)c(CN2CCCC[C@H]2COC(=O)NC)c1 ZINC000290169246 426709219 /nfs/dbraw/zinc/70/92/19/426709219.db2.gz MRIKXXOCWNNRCW-AWEZNQCLSA-N 0 3 322.405 2.501 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000179572435 426801399 /nfs/dbraw/zinc/80/13/99/426801399.db2.gz VOGSLQOAHVIYNM-HNNXBMFYSA-N 0 3 300.406 2.513 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000179572435 426801404 /nfs/dbraw/zinc/80/14/04/426801404.db2.gz VOGSLQOAHVIYNM-HNNXBMFYSA-N 0 3 300.406 2.513 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246201530 426809294 /nfs/dbraw/zinc/80/92/94/426809294.db2.gz JDCVSHPLUADGQW-RTBURBONSA-N 0 3 313.397 2.925 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246201530 426809299 /nfs/dbraw/zinc/80/92/99/426809299.db2.gz JDCVSHPLUADGQW-RTBURBONSA-N 0 3 313.397 2.925 20 10 DFCDHN CC(=O)N1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000179810430 426819451 /nfs/dbraw/zinc/81/94/51/426819451.db2.gz MJRSWBIBRURRRB-UHFFFAOYSA-N 0 3 315.461 2.731 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CC[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000189661779 426916778 /nfs/dbraw/zinc/91/67/78/426916778.db2.gz YXUNJEKTUQWQII-IRXDYDNUSA-N 0 3 305.418 2.942 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CC[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000189661779 426916785 /nfs/dbraw/zinc/91/67/85/426916785.db2.gz YXUNJEKTUQWQII-IRXDYDNUSA-N 0 3 305.418 2.942 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCCC13CCOCC3)OCO2 ZINC000282717045 426921357 /nfs/dbraw/zinc/92/13/57/426921357.db2.gz PZDLQMWJWUUQSV-INIZCTEOSA-N 0 3 305.374 2.560 20 10 DFCDHN OC[C@@]1(NCc2ccc3c(c2)CCO3)CCCc2ccccc21 ZINC000282255816 426864707 /nfs/dbraw/zinc/86/47/07/426864707.db2.gz GVTHSNXVHKXOCM-FQEVSTJZSA-N 0 3 309.409 2.935 20 10 DFCDHN COc1cccc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000290968232 426872527 /nfs/dbraw/zinc/87/25/27/426872527.db2.gz SFWXLMBZPBLAID-CYBMUJFWSA-N 0 3 307.781 2.698 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1[O-] ZINC000283206408 426973987 /nfs/dbraw/zinc/97/39/87/426973987.db2.gz LTIIIOAABZBPRA-GRDNDAEWSA-N 0 3 305.418 2.611 20 10 DFCDHN COc1ccc([O-])c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282917326 426933647 /nfs/dbraw/zinc/93/36/47/426933647.db2.gz DVFDRQHSKGGZIY-UHFFFAOYSA-N 0 3 316.357 2.984 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282917326 426933655 /nfs/dbraw/zinc/93/36/55/426933655.db2.gz DVFDRQHSKGGZIY-UHFFFAOYSA-N 0 3 316.357 2.984 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c([O-])c1 ZINC000282954395 426935020 /nfs/dbraw/zinc/93/50/20/426935020.db2.gz CEQHMNAQVMZYNG-DAYGRLMNSA-N 0 3 319.445 2.919 20 10 DFCDHN O=C(NCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1F ZINC000295982105 427034820 /nfs/dbraw/zinc/03/48/20/427034820.db2.gz NFSSLHLHZINMRR-OAHLLOKOSA-N 0 3 314.360 2.538 20 10 DFCDHN COc1cc(O)c(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1OC ZINC000292107090 427091133 /nfs/dbraw/zinc/09/11/33/427091133.db2.gz PVZRADFRWGUJES-CABCVRRESA-N 0 3 313.344 2.887 20 10 DFCDHN CCOCCN(C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296219875 427115690 /nfs/dbraw/zinc/11/56/90/427115690.db2.gz GRNGIQZNRXRIND-UHFFFAOYSA-N 0 3 306.450 2.770 20 10 DFCDHN CO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000268933805 427137820 /nfs/dbraw/zinc/13/78/20/427137820.db2.gz MRVHZVCVJAZGCN-RDTXWAMCSA-N 0 3 324.440 2.984 20 10 DFCDHN [O-]c1cccc(Cl)c1C[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000268970303 427141207 /nfs/dbraw/zinc/14/12/07/427141207.db2.gz MSUDOJCOYRNJLM-DOTOQJQBSA-N 0 3 324.852 2.513 20 10 DFCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000268970303 427141213 /nfs/dbraw/zinc/14/12/13/427141213.db2.gz MSUDOJCOYRNJLM-DOTOQJQBSA-N 0 3 324.852 2.513 20 10 DFCDHN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000249926431 427150292 /nfs/dbraw/zinc/15/02/92/427150292.db2.gz ZZZVWGXKLOJPQC-RBSFLKMASA-N 0 3 303.450 2.630 20 10 DFCDHN c1cc(CNCc2ccc3c(c2)CCO3)cc(N2CCOCC2)c1 ZINC000292846601 427200678 /nfs/dbraw/zinc/20/06/78/427200678.db2.gz BMTIEHVZQRQULK-UHFFFAOYSA-N 0 3 324.424 2.748 20 10 DFCDHN CN(C)c1ccc(CNCCOCC(F)(F)C(F)F)cc1 ZINC000277539523 427234856 /nfs/dbraw/zinc/23/48/56/427234856.db2.gz WLNUOXOGJRKBME-UHFFFAOYSA-N 0 3 308.319 2.759 20 10 DFCDHN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000269649552 427240146 /nfs/dbraw/zinc/24/01/46/427240146.db2.gz UWBGYKYAJAKZPP-SFHVURJKSA-N 0 3 315.461 2.776 20 10 DFCDHN COc1ccc(CN[C@H](CO)C[C@H](O)c2ccccc2)cc1C ZINC000269897727 427301480 /nfs/dbraw/zinc/30/14/80/427301480.db2.gz DYLZQFGYLPUNNU-ROUUACIJSA-N 0 3 315.413 2.578 20 10 DFCDHN Cc1cc(CN2CCC(NC(=O)C3CC3)CC2)ccc1N(C)C ZINC000293393867 427312810 /nfs/dbraw/zinc/31/28/10/427312810.db2.gz HCEKNYIMIKLCII-UHFFFAOYSA-N 0 3 315.461 2.552 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278121575 427410144 /nfs/dbraw/zinc/41/01/44/427410144.db2.gz BAHXGVMBHWVKAW-RISCZKNCSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278121575 427410154 /nfs/dbraw/zinc/41/01/54/427410154.db2.gz BAHXGVMBHWVKAW-RISCZKNCSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1ccc(O)c(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278121575 427410158 /nfs/dbraw/zinc/41/01/58/427410158.db2.gz BAHXGVMBHWVKAW-RISCZKNCSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278121570 427411163 /nfs/dbraw/zinc/41/11/63/427411163.db2.gz BAHXGVMBHWVKAW-BXUZGUMPSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278121570 427411168 /nfs/dbraw/zinc/41/11/68/427411168.db2.gz BAHXGVMBHWVKAW-BXUZGUMPSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1ccc(O)c(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278121570 427411174 /nfs/dbraw/zinc/41/11/74/427411174.db2.gz BAHXGVMBHWVKAW-BXUZGUMPSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000278131104 427413280 /nfs/dbraw/zinc/41/32/80/427413280.db2.gz CFGLDQPNGJKEDF-TZMCWYRMSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000278131104 427413285 /nfs/dbraw/zinc/41/32/85/427413285.db2.gz CFGLDQPNGJKEDF-TZMCWYRMSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1cccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278131104 427413291 /nfs/dbraw/zinc/41/32/91/427413291.db2.gz CFGLDQPNGJKEDF-TZMCWYRMSA-N 0 3 303.324 2.836 20 10 DFCDHN CN(Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCN(C)C1=O ZINC000271207637 427451233 /nfs/dbraw/zinc/45/12/33/427451233.db2.gz SJHMGVWYWMAAIH-KRWDZBQOSA-N 0 3 310.397 2.722 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c([O-])c1 ZINC000278789101 427452377 /nfs/dbraw/zinc/45/23/77/427452377.db2.gz YQKIPCXGWDOZOP-HOTGVXAUSA-N 0 3 306.450 2.852 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1C ZINC000271232884 427461845 /nfs/dbraw/zinc/46/18/45/427461845.db2.gz RCXLPVMGENFEJF-QGZVFWFLSA-N 0 3 303.377 2.841 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000271246135 427469046 /nfs/dbraw/zinc/46/90/46/427469046.db2.gz VPMRASVHHPVPJE-INIZCTEOSA-N 0 3 319.376 2.623 20 10 DFCDHN C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3cccc([O-])c32)C[C@H](C)O1 ZINC000297869532 427473261 /nfs/dbraw/zinc/47/32/61/427473261.db2.gz UNQYCRSJSOGMKH-UXLLHSPISA-N 0 3 318.461 2.859 20 10 DFCDHN COc1cc(O)c(CN2CCCO[C@@H](C(C)C)C2)cc1OC ZINC000293887648 427477655 /nfs/dbraw/zinc/47/76/55/427477655.db2.gz DNJGTMSHAZUBTL-QGZVFWFLSA-N 0 3 309.406 2.656 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCO[C@@H](C(C)C)C2)cc1OC ZINC000293887648 427477664 /nfs/dbraw/zinc/47/76/64/427477664.db2.gz DNJGTMSHAZUBTL-QGZVFWFLSA-N 0 3 309.406 2.656 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCO[C@@H](C(C)C)C2)cc1OC ZINC000293887648 427477668 /nfs/dbraw/zinc/47/76/68/427477668.db2.gz DNJGTMSHAZUBTL-QGZVFWFLSA-N 0 3 309.406 2.656 20 10 DFCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCn1cncn1 ZINC000293761253 427428528 /nfs/dbraw/zinc/42/85/28/427428528.db2.gz OYCUNPDGPFHVQV-SFHVURJKSA-N 0 3 322.412 2.947 20 10 DFCDHN CCOCc1cc(CN[C@@H](COC)[C@H]2CCCO2)ccc1OC ZINC000278545151 427442561 /nfs/dbraw/zinc/44/25/61/427442561.db2.gz ANXWAOHOCLGIEO-FUHWJXTLSA-N 0 3 323.433 2.515 20 10 DFCDHN CCN(CC)c1ccc(CN[C@H](COC)[C@@H]2CCCO2)cc1 ZINC000278575970 427446394 /nfs/dbraw/zinc/44/63/94/427446394.db2.gz FEDIOTLYPYLBNW-MSOLQXFVSA-N 0 3 306.450 2.816 20 10 DFCDHN Cn1nncc1C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293977989 427510264 /nfs/dbraw/zinc/51/02/64/427510264.db2.gz BDSYAWPSIYQIID-GOSISDBHSA-N 0 3 322.412 2.984 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1[O-] ZINC000192812056 427614791 /nfs/dbraw/zinc/61/47/91/427614791.db2.gz MQONPHNCGQDWRW-GOEBONIOSA-N 0 3 312.417 2.892 20 10 DFCDHN Cc1cccc(CN2CCC[C@H](NC(=O)C(C)(C)C)C2)c1O ZINC000271704095 427582417 /nfs/dbraw/zinc/58/24/17/427582417.db2.gz DVONNCAMGJCSSS-HNNXBMFYSA-N 0 3 304.434 2.827 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000185127589 427598288 /nfs/dbraw/zinc/59/82/88/427598288.db2.gz RXWOBUUUQQWZBE-HIFRSBDPSA-N 0 3 319.376 2.930 20 10 DFCDHN CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271940789 427598355 /nfs/dbraw/zinc/59/83/55/427598355.db2.gz BQZYGRBDDSFUJP-ZIAGYGMSSA-N 0 3 307.390 2.804 20 10 DFCDHN COCCCN1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185314609 427633284 /nfs/dbraw/zinc/63/32/84/427633284.db2.gz UGAGARAUJGLOQN-OAHLLOKOSA-N 0 3 306.450 2.852 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000294718641 427648587 /nfs/dbraw/zinc/64/85/87/427648587.db2.gz CKOHOMJSSINJHQ-AGUYFDCRSA-N 0 3 310.825 2.769 20 10 DFCDHN COc1cccc(CN2CCC[C@@H](CC(=O)OC(C)C)C2)c1O ZINC000185579666 427674080 /nfs/dbraw/zinc/67/40/80/427674080.db2.gz QIIHTMMXEPDSEU-AWEZNQCLSA-N 0 3 321.417 2.955 20 10 DFCDHN CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000295108196 427697881 /nfs/dbraw/zinc/69/78/81/427697881.db2.gz LIEMBCKVCRPKFT-CQSZACIVSA-N 0 3 314.385 2.818 20 10 DFCDHN CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000295108196 427697883 /nfs/dbraw/zinc/69/78/83/427697883.db2.gz LIEMBCKVCRPKFT-CQSZACIVSA-N 0 3 314.385 2.818 20 10 DFCDHN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000185788422 427706516 /nfs/dbraw/zinc/70/65/16/427706516.db2.gz NCEHINUDWWRWMQ-XJKSGUPXSA-N 0 3 316.445 2.933 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000279745233 427717951 /nfs/dbraw/zinc/71/79/51/427717951.db2.gz XKOACNGPBMVDPE-LLVKDONJSA-N 0 3 302.340 2.586 20 10 DFCDHN O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000371530227 428396088 /nfs/dbraw/zinc/39/60/88/428396088.db2.gz WZQVGVDJPGQDQT-OAHLLOKOSA-N 0 3 306.381 2.508 20 10 DFCDHN O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000371530227 428396092 /nfs/dbraw/zinc/39/60/92/428396092.db2.gz WZQVGVDJPGQDQT-OAHLLOKOSA-N 0 3 306.381 2.508 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000372413468 428444774 /nfs/dbraw/zinc/44/47/74/428444774.db2.gz LVOWIDSZOFLQPP-INIZCTEOSA-N 0 3 302.418 2.678 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000372413468 428444780 /nfs/dbraw/zinc/44/47/80/428444780.db2.gz LVOWIDSZOFLQPP-INIZCTEOSA-N 0 3 302.418 2.678 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000372598402 428471934 /nfs/dbraw/zinc/47/19/34/428471934.db2.gz GYCGNXJJESCGSJ-KGLIPLIRSA-N 0 3 315.417 2.760 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000372598402 428471938 /nfs/dbraw/zinc/47/19/38/428471938.db2.gz GYCGNXJJESCGSJ-KGLIPLIRSA-N 0 3 315.417 2.760 20 10 DFCDHN CC[C@@H]1CN(Cc2cccc(OC)c2O)C[C@]2(CCCOC2)O1 ZINC000373464311 428584035 /nfs/dbraw/zinc/58/40/35/428584035.db2.gz DSUWAQJSDDNREQ-QAPCUYQASA-N 0 3 321.417 2.561 20 10 DFCDHN C[N@H+](Cc1cccc(F)c1[O-])C1CCN(C2CCOCC2)CC1 ZINC000361052185 428533143 /nfs/dbraw/zinc/53/31/43/428533143.db2.gz MDEBQGRZOOAVIJ-UHFFFAOYSA-N 0 3 322.424 2.607 20 10 DFCDHN C[N@@H+](Cc1cccc(F)c1[O-])C1CCN(C2CCOCC2)CC1 ZINC000361052185 428533147 /nfs/dbraw/zinc/53/31/47/428533147.db2.gz MDEBQGRZOOAVIJ-UHFFFAOYSA-N 0 3 322.424 2.607 20 10 DFCDHN Cc1cccc(C[N@@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000373605566 428617275 /nfs/dbraw/zinc/61/72/75/428617275.db2.gz YTHHVLHKGDZTGX-GOSISDBHSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1cccc(C[N@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000373605566 428617278 /nfs/dbraw/zinc/61/72/78/428617278.db2.gz YTHHVLHKGDZTGX-GOSISDBHSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1cccc(CN2CC(C)(C)O[C@]3(CCCOC3)C2)c1O ZINC000373605566 428617281 /nfs/dbraw/zinc/61/72/81/428617281.db2.gz YTHHVLHKGDZTGX-GOSISDBHSA-N 0 3 305.418 2.861 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c1[O-] ZINC000374189805 428667068 /nfs/dbraw/zinc/66/70/68/428667068.db2.gz LHZWYVNRFNAYFX-IRXDYDNUSA-N 0 3 320.408 2.793 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c1[O-] ZINC000374189805 428667079 /nfs/dbraw/zinc/66/70/79/428667079.db2.gz LHZWYVNRFNAYFX-IRXDYDNUSA-N 0 3 320.408 2.793 20 10 DFCDHN Cc1nc([C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)no1 ZINC000362386758 428726859 /nfs/dbraw/zinc/72/68/59/428726859.db2.gz WMRDYHWIJSECMK-HNNXBMFYSA-N 0 3 300.406 2.824 20 10 DFCDHN COc1ccc(N2CCC(N(C)Cc3c[nH]nc3C)CC2)cc1 ZINC000362388315 428729105 /nfs/dbraw/zinc/72/91/05/428729105.db2.gz DKYPQZGNDRTIIE-UHFFFAOYSA-N 0 3 314.433 2.828 20 10 DFCDHN C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1cc(F)ccc1[O-] ZINC000363857516 429000286 /nfs/dbraw/zinc/00/02/86/429000286.db2.gz QDYIGTQMOGTJMV-GFCCVEGCSA-N 0 3 312.348 2.963 20 10 DFCDHN Cc1cc(C)cc(N(C)C(=O)c2cn[n-]c2[C@@H]2CCC[NH2+]C2)c1 ZINC000423060370 429054119 /nfs/dbraw/zinc/05/41/19/429054119.db2.gz HXUQDWGMIXTOJM-CQSZACIVSA-N 0 3 312.417 2.770 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c([O-])c1C ZINC000363868516 429131738 /nfs/dbraw/zinc/13/17/38/429131738.db2.gz NPTWJCIVIXJDQK-LSDHHAIUSA-N 0 3 314.433 2.672 20 10 DFCDHN O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000364449044 429206601 /nfs/dbraw/zinc/20/66/01/429206601.db2.gz QKNWPTVZRGHTMO-GOSISDBHSA-N 0 3 312.344 2.627 20 10 DFCDHN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000364449044 429206604 /nfs/dbraw/zinc/20/66/04/429206604.db2.gz QKNWPTVZRGHTMO-GOSISDBHSA-N 0 3 312.344 2.627 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(C)cc1[O-] ZINC000365580067 429344879 /nfs/dbraw/zinc/34/48/79/429344879.db2.gz CSMBOYRCXWFFOY-GOEBONIOSA-N 0 3 314.433 2.754 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000367309887 429619593 /nfs/dbraw/zinc/61/95/93/429619593.db2.gz YWKMWNAQYDMXFG-RDJZCZTQSA-N 0 3 304.434 2.640 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000367309887 429619595 /nfs/dbraw/zinc/61/95/95/429619595.db2.gz YWKMWNAQYDMXFG-RDJZCZTQSA-N 0 3 304.434 2.640 20 10 DFCDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000367180465 429591856 /nfs/dbraw/zinc/59/18/56/429591856.db2.gz UAQPTVAHUGUVDJ-XKQJLSEDSA-N 0 3 301.434 2.557 20 10 DFCDHN CCCC(=O)N1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000367479263 429658359 /nfs/dbraw/zinc/65/83/59/429658359.db2.gz UDCAZSMGSIXPJD-UHFFFAOYSA-N 0 3 303.450 2.587 20 10 DFCDHN Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000368052593 429776282 /nfs/dbraw/zinc/77/62/82/429776282.db2.gz XBRNLVXQHLSCEF-OAHLLOKOSA-N 0 3 302.374 2.788 20 10 DFCDHN Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368052593 429776285 /nfs/dbraw/zinc/77/62/85/429776285.db2.gz XBRNLVXQHLSCEF-OAHLLOKOSA-N 0 3 302.374 2.788 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c([O-])c1 ZINC000368090141 429785345 /nfs/dbraw/zinc/78/53/45/429785345.db2.gz PPERHQBDLHPTOY-CYBMUJFWSA-N 0 3 301.390 2.551 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c([O-])c1 ZINC000368090141 429785351 /nfs/dbraw/zinc/78/53/51/429785351.db2.gz PPERHQBDLHPTOY-CYBMUJFWSA-N 0 3 301.390 2.551 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c([O-])c1C ZINC000368329752 429831498 /nfs/dbraw/zinc/83/14/98/429831498.db2.gz DXHXIKFKIVRACS-GOEBONIOSA-N 0 3 304.434 2.523 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000368362473 429837959 /nfs/dbraw/zinc/83/79/59/429837959.db2.gz GBJVQKIVMDWCSJ-XNRPHZJLSA-N 0 3 311.447 2.707 20 10 DFCDHN O=C(NCc1ccccc1O)NC[C@H]1CCN1C1CCCCC1 ZINC000528147252 429854455 /nfs/dbraw/zinc/85/44/55/429854455.db2.gz DGGFQFWIOKKZBZ-MRXNPFEDSA-N 0 3 317.433 2.598 20 10 DFCDHN Cc1ncccc1/C=C/C(=O)N(CCN(C)C)c1ccccc1 ZINC000493699224 429812422 /nfs/dbraw/zinc/81/24/22/429812422.db2.gz XVIRTWZZUREJFJ-VAWYXSNFSA-N 0 3 309.413 2.998 20 10 DFCDHN CCOCc1cc(CN[C@H]2CCc3nccn3C2)ccc1OC ZINC000368847357 429898622 /nfs/dbraw/zinc/89/86/22/429898622.db2.gz YBQNLRYZOLTQDB-INIZCTEOSA-N 0 3 315.417 2.533 20 10 DFCDHN CCOC[C@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000529664185 430047720 /nfs/dbraw/zinc/04/77/20/430047720.db2.gz BATZIIMDPUVMRF-OAHLLOKOSA-N 0 3 301.386 2.783 20 10 DFCDHN C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@@H](C)O1 ZINC000295872220 288067674 /nfs/dbraw/zinc/06/76/74/288067674.db2.gz HDVIYBWPKFNXIF-IIAWOOMASA-N 0 3 318.461 2.857 20 10 DFCDHN COC[C@H](CO)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000280964140 293113150 /nfs/dbraw/zinc/11/31/50/293113150.db2.gz KUGPSPFEFNYDHI-WBVHZDCISA-N 0 3 306.450 2.725 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000273576806 295168571 /nfs/dbraw/zinc/16/85/71/295168571.db2.gz LXPHLEVGXZXEMC-IHRRRGAJSA-N 0 3 320.433 2.698 20 10 DFCDHN CCOc1cccc(CNc2ccc3c(c2)OCCNC3)c1O ZINC000530180680 317774058 /nfs/dbraw/zinc/77/40/58/317774058.db2.gz BTDKLXWQBHRHQF-UHFFFAOYSA-N 0 3 314.385 2.885 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000092506838 332127473 /nfs/dbraw/zinc/12/74/73/332127473.db2.gz RWCNWLAOPBQXFP-SOLBZPMBSA-N 0 3 318.461 2.774 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000092506838 332127474 /nfs/dbraw/zinc/12/74/74/332127474.db2.gz RWCNWLAOPBQXFP-SOLBZPMBSA-N 0 3 318.461 2.774 20 10 DFCDHN CCOC(=O)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293553153 335109046 /nfs/dbraw/zinc/10/90/46/335109046.db2.gz RHKMZVPGBDKJNQ-UHFFFAOYSA-N 0 3 304.434 2.836 20 10 DFCDHN CCOc1cccc(CN2CCC3(CC2)OCCCO3)c1O ZINC000293531241 335111689 /nfs/dbraw/zinc/11/16/89/335111689.db2.gz BXOLGIJUXVZAIT-UHFFFAOYSA-N 0 3 307.390 2.520 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC3(CC2)OCCCO3)c1[O-] ZINC000293531241 335111690 /nfs/dbraw/zinc/11/16/90/335111690.db2.gz BXOLGIJUXVZAIT-UHFFFAOYSA-N 0 3 307.390 2.520 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1[O-] ZINC000294692975 335125440 /nfs/dbraw/zinc/12/54/40/335125440.db2.gz BWWZXHYGNSBFMQ-MRXNPFEDSA-N 0 3 319.376 2.623 20 10 DFCDHN C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc2c(cc1[O-])CCCC2 ZINC000185639003 333211231 /nfs/dbraw/zinc/21/12/31/333211231.db2.gz PRZSGRKQLYNXRG-YVEFUNNKSA-N 0 3 307.459 2.790 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)CC2 ZINC000295790234 335137879 /nfs/dbraw/zinc/13/78/79/335137879.db2.gz BNJJCJSWKIZZQB-WMLDXEAASA-N 0 3 315.388 2.959 20 10 DFCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295904017 335138499 /nfs/dbraw/zinc/13/84/99/335138499.db2.gz IUECYSFPOPSLKP-NVXWUHKLSA-N 0 3 313.397 2.717 20 10 DFCDHN C[C@@H](N[C@H]1CCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000296373442 335144002 /nfs/dbraw/zinc/14/40/02/335144002.db2.gz JGVUYYGKZYVCQH-QAPCUYQASA-N 0 3 315.461 2.996 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000273467306 334047397 /nfs/dbraw/zinc/04/73/97/334047397.db2.gz FBWMRQUOPKFTLR-RRFJBIMHSA-N 0 3 304.434 2.998 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000192709607 336258996 /nfs/dbraw/zinc/25/89/96/336258996.db2.gz LBBVHHVUFCYCCD-CQSZACIVSA-N 0 3 312.417 2.810 20 10 DFCDHN CCN(CC)c1ccc(CN[C@@H]2CCc3nccn3C2)cc1F ZINC000361489921 336759010 /nfs/dbraw/zinc/75/90/10/336759010.db2.gz MHALXVWCCIEVIN-OAHLLOKOSA-N 0 3 316.424 2.973 20 10 DFCDHN O=C1C[C@H]([NH2+]Cc2c([O-])ccc3ccccc32)[C@H]2CCCCN12 ZINC000369225046 336860889 /nfs/dbraw/zinc/86/08/89/336860889.db2.gz NFOYAUFCHNSJTE-DLBZAZTESA-N 0 3 310.397 2.788 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c([O-])c1C ZINC000369901161 336873992 /nfs/dbraw/zinc/87/39/92/336873992.db2.gz FJASDIQPMCSMLK-DAYGRLMNSA-N 0 3 305.418 2.998 20 10 DFCDHN O=C(Nc1ccccn1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000372972403 336944027 /nfs/dbraw/zinc/94/40/27/336944027.db2.gz HCBVXJUTWBOOOS-UHFFFAOYSA-N 0 3 311.385 2.638 20 10 DFCDHN COC[C@@H]1CCCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000375100933 337003345 /nfs/dbraw/zinc/00/33/45/337003345.db2.gz PMAVTZCCXPWWEQ-CYBMUJFWSA-N 0 3 309.406 2.658 20 10 DFCDHN COC[C@@H]1CCCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000375100933 337003346 /nfs/dbraw/zinc/00/33/46/337003346.db2.gz PMAVTZCCXPWWEQ-CYBMUJFWSA-N 0 3 309.406 2.658 20 10 DFCDHN COCCn1ncc2c1[C@@H]([NH2+]Cc1cc(F)ccc1[O-])CCC2 ZINC000375205677 337005788 /nfs/dbraw/zinc/00/57/88/337005788.db2.gz DYPYWGXICUUKTK-HNNXBMFYSA-N 0 3 319.380 2.541 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(C)cc1[O-] ZINC000375307033 337007744 /nfs/dbraw/zinc/00/77/44/337007744.db2.gz ZXFVLZKGUWQMAN-DAYGRLMNSA-N 0 3 302.418 2.799 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375406773 337010623 /nfs/dbraw/zinc/01/06/23/337010623.db2.gz VFENXEPYCRLXNG-NSHDSACASA-N 0 3 303.337 2.781 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375406773 337010624 /nfs/dbraw/zinc/01/06/24/337010624.db2.gz VFENXEPYCRLXNG-NSHDSACASA-N 0 3 303.337 2.781 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CN2CCCC[C@H]2CO1)c1ccc(C)cc1[O-] ZINC000375661085 337015899 /nfs/dbraw/zinc/01/58/99/337015899.db2.gz BDEDXLIRUZWDOK-BQFCYCMXSA-N 0 3 318.461 2.995 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(C)cc1[O-] ZINC000375661092 337015995 /nfs/dbraw/zinc/01/59/95/337015995.db2.gz BDEDXLIRUZWDOK-RYRKJORJSA-N 0 3 318.461 2.995 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccncn3)C2)c([O-])c1 ZINC000376310083 337031144 /nfs/dbraw/zinc/03/11/44/337031144.db2.gz XPCWPOLFCFIYJQ-HUUCEWRRSA-N 0 3 312.417 2.810 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000376940821 337043882 /nfs/dbraw/zinc/04/38/82/337043882.db2.gz KNIXGWYKOAEPED-HOTGVXAUSA-N 0 3 321.417 2.552 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000376940821 337043883 /nfs/dbraw/zinc/04/38/83/337043883.db2.gz KNIXGWYKOAEPED-HOTGVXAUSA-N 0 3 321.417 2.552 20 10 DFCDHN Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000377680400 337058173 /nfs/dbraw/zinc/05/81/73/337058173.db2.gz PVYZNPWIJCUFJF-OAHLLOKOSA-N 0 3 320.364 2.927 20 10 DFCDHN Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000377680400 337058174 /nfs/dbraw/zinc/05/81/74/337058174.db2.gz PVYZNPWIJCUFJF-OAHLLOKOSA-N 0 3 320.364 2.927 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCn3ccnc3C2)c1 ZINC000377689495 337058456 /nfs/dbraw/zinc/05/84/56/337058456.db2.gz BZMDNRXUMFEAPY-QWHCGFSZSA-N 0 3 301.390 2.511 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000377852437 337062565 /nfs/dbraw/zinc/06/25/65/337062565.db2.gz QGHRTHZQMNNLDC-ZBFHGGJFSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000377852437 337062566 /nfs/dbraw/zinc/06/25/66/337062566.db2.gz QGHRTHZQMNNLDC-ZBFHGGJFSA-N 0 3 302.418 2.788 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)c1 ZINC000377859671 337062666 /nfs/dbraw/zinc/06/26/66/337062666.db2.gz JANDTCWQFNKUBB-CQSZACIVSA-N 0 3 315.417 2.682 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCn3ccnc3C2)c1 ZINC000377859671 337062667 /nfs/dbraw/zinc/06/26/67/337062667.db2.gz JANDTCWQFNKUBB-CQSZACIVSA-N 0 3 315.417 2.682 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000184955527 337201970 /nfs/dbraw/zinc/20/19/70/337201970.db2.gz AZSYYOKOPGAVMP-CQSZACIVSA-N 0 3 314.433 2.912 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@@]2(CO)CCc3ccccc32)c1 ZINC000359961877 337441046 /nfs/dbraw/zinc/44/10/46/337441046.db2.gz UDQOUQMYHZJYOZ-ORAYPTAESA-N 0 3 313.397 2.885 20 10 DFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2COC2)c1[O-] ZINC000528029398 337784647 /nfs/dbraw/zinc/78/46/47/337784647.db2.gz YWKMFEYUZCPARX-VIFPVBQESA-N 0 3 300.196 2.760 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1OC ZINC000529671038 340767520 /nfs/dbraw/zinc/76/75/20/340767520.db2.gz XSSSABKILAEPRZ-OAHLLOKOSA-N 0 3 320.433 2.516 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000237033148 521150696 /nfs/dbraw/zinc/15/06/96/521150696.db2.gz NREFGHTYALJKBU-UHFFFAOYSA-N 0 3 320.433 2.528 20 10 DFCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000236892243 521951928 /nfs/dbraw/zinc/95/19/28/521951928.db2.gz GCUFGPSDHKUTCO-YJBOKZPZSA-N 0 3 317.477 2.913 20 10 DFCDHN C[NH+](C)[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000156071319 522040912 /nfs/dbraw/zinc/04/09/12/522040912.db2.gz SXBCKUJYWRTDMA-CYBMUJFWSA-N 0 3 313.239 2.681 20 10 DFCDHN CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000155895471 522811467 /nfs/dbraw/zinc/81/14/67/522811467.db2.gz DITVXUYNTBRICZ-CRAIPNDOSA-N 0 3 318.461 2.934 20 10 DFCDHN Cc1cccc(C[N@@H+](C)C2CCN(c3cccnn3)CC2)c1[O-] ZINC000364904972 524375164 /nfs/dbraw/zinc/37/51/64/524375164.db2.gz LOKWABQEMMIKIZ-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1cccc(C[N@H+](C)C2CCN(c3cccnn3)CC2)c1[O-] ZINC000364904972 524375171 /nfs/dbraw/zinc/37/51/71/524375171.db2.gz LOKWABQEMMIKIZ-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000180078863 524378598 /nfs/dbraw/zinc/37/85/98/524378598.db2.gz RGBSGRUQXPVEGO-MRXNPFEDSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1cccc(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000180078863 524378605 /nfs/dbraw/zinc/37/86/05/524378605.db2.gz RGBSGRUQXPVEGO-MRXNPFEDSA-N 0 3 312.417 2.591 20 10 DFCDHN C[C@H](CS(C)(=O)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000264985539 524608529 /nfs/dbraw/zinc/60/85/29/524608529.db2.gz VRCVCSKUALXYRX-CYBMUJFWSA-N 0 3 319.426 2.582 20 10 DFCDHN COc1ccc(O)c(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000180487978 524745669 /nfs/dbraw/zinc/74/56/69/524745669.db2.gz MBJFTZQADVPNKW-LBPRGKRZSA-N 0 3 307.390 2.564 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000180487978 524745674 /nfs/dbraw/zinc/74/56/74/524745674.db2.gz MBJFTZQADVPNKW-LBPRGKRZSA-N 0 3 307.390 2.564 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000180487978 524745681 /nfs/dbraw/zinc/74/56/81/524745681.db2.gz MBJFTZQADVPNKW-LBPRGKRZSA-N 0 3 307.390 2.564 20 10 DFCDHN COc1ccc(O)c(CN[C@H](C[S@](C)=O)c2ccccc2)c1 ZINC000182101043 524756108 /nfs/dbraw/zinc/75/61/08/524756108.db2.gz OIKBWYKGOZHXNT-ZHRRBRCNSA-N 0 3 319.426 2.610 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000182387836 524772221 /nfs/dbraw/zinc/77/22/21/524772221.db2.gz YGYYKKAZRLTJMF-APPDUMDISA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1[O-] ZINC000182492773 524869574 /nfs/dbraw/zinc/86/95/74/524869574.db2.gz AQDZHXVYIJJUDA-UHFFFAOYSA-N 0 3 319.854 2.657 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCOC3(CCCC3)C1)OCO2 ZINC000136714634 526336070 /nfs/dbraw/zinc/33/60/70/526336070.db2.gz PWCVYIAMRUOBGB-ZDUSSCGKSA-N 0 3 305.374 2.702 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000364457856 526346466 /nfs/dbraw/zinc/34/64/66/526346466.db2.gz LPGXAPACLKEDSP-HOTGVXAUSA-N 0 3 324.852 2.779 20 10 DFCDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000284572762 535159200 /nfs/dbraw/zinc/15/92/00/535159200.db2.gz IUNFQAYVPVGCPC-YOEHRIQHSA-N 0 3 319.380 2.929 20 10 DFCDHN CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000284413409 535159397 /nfs/dbraw/zinc/15/93/97/535159397.db2.gz DDWBLKCWOWCNSR-YOEHRIQHSA-N 0 3 301.390 2.789 20 10 DFCDHN CCOC1CC2(C1)CC[N@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000284977025 535398530 /nfs/dbraw/zinc/39/85/30/535398530.db2.gz BOEUZOFUCOVGMW-UHFFFAOYSA-N 0 3 305.374 2.512 20 10 DFCDHN CCOC1CC2(C1)CC[N@@H+](Cc1cc3c(cc1[O-])OCO3)C2 ZINC000284977025 535398535 /nfs/dbraw/zinc/39/85/35/535398535.db2.gz BOEUZOFUCOVGMW-UHFFFAOYSA-N 0 3 305.374 2.512 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000284222445 535765748 /nfs/dbraw/zinc/76/57/48/535765748.db2.gz CWDITKUWEVEAJF-LESCRADOSA-N 0 3 322.493 2.951 20 10 DFCDHN COC[C@@H](CN[C@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000272641306 536629956 /nfs/dbraw/zinc/62/99/56/536629956.db2.gz CSWCNTISEUHVHV-CRAIPNDOSA-N 0 3 306.450 2.989 20 10 DFCDHN COCCOc1ncccc1CN[C@@H](C)c1cc(C)ccc1O ZINC000273438547 536742255 /nfs/dbraw/zinc/74/22/55/536742255.db2.gz XVOQFNSFBRHOIK-AWEZNQCLSA-N 0 3 316.401 2.972 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090182350 185285954 /nfs/dbraw/zinc/28/59/54/185285954.db2.gz RFAANFINLVMGTN-DZGCQCFKSA-N 0 3 301.434 2.557 20 10 DFCDHN C[C@@H](NC[C@]1(O)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090849195 398494852 /nfs/dbraw/zinc/49/48/52/398494852.db2.gz UTEJQMAKXMNGMU-RDTXWAMCSA-N 0 3 322.424 2.618 20 10 DFCDHN CCS(=O)(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000069172831 398554991 /nfs/dbraw/zinc/55/49/91/398554991.db2.gz OYMRBBALHDJHOE-UHFFFAOYSA-N 0 3 319.426 2.584 20 10 DFCDHN CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000092097816 398557312 /nfs/dbraw/zinc/55/73/12/398557312.db2.gz SPKQTNHFNPHVQN-KRWDZBQOSA-N 0 3 310.397 2.770 20 10 DFCDHN CNC(=O)[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000092097816 398557316 /nfs/dbraw/zinc/55/73/16/398557316.db2.gz SPKQTNHFNPHVQN-KRWDZBQOSA-N 0 3 310.397 2.770 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1 ZINC000092472558 398578937 /nfs/dbraw/zinc/57/89/37/398578937.db2.gz LMINAQKVTNLJPX-SFHVURJKSA-N 0 3 315.413 2.710 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c1 ZINC000092472558 398578940 /nfs/dbraw/zinc/57/89/40/398578940.db2.gz LMINAQKVTNLJPX-SFHVURJKSA-N 0 3 315.413 2.710 20 10 DFCDHN COc1ccc(N2CCCN(C[C@@H]3CCCCO3)CC2)cc1 ZINC000052465272 398841128 /nfs/dbraw/zinc/84/11/28/398841128.db2.gz GGPBXSKKRINTRF-SFHVURJKSA-N 0 3 304.434 2.776 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1 ZINC000091833201 193114238 /nfs/dbraw/zinc/11/42/38/193114238.db2.gz MHMBLHODWXXABM-ZDUSSCGKSA-N 0 3 317.389 2.862 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c1 ZINC000091833201 193114240 /nfs/dbraw/zinc/11/42/40/193114240.db2.gz MHMBLHODWXXABM-ZDUSSCGKSA-N 0 3 317.389 2.862 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1[O-] ZINC000079438495 399044947 /nfs/dbraw/zinc/04/49/47/399044947.db2.gz XMWPZNRZKMGPRS-GFCCVEGCSA-N 0 3 317.364 2.837 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1[O-] ZINC000079438495 399044952 /nfs/dbraw/zinc/04/49/52/399044952.db2.gz XMWPZNRZKMGPRS-GFCCVEGCSA-N 0 3 317.364 2.837 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@H](C(=O)NC)C2)cc1F ZINC000093360756 193238370 /nfs/dbraw/zinc/23/83/70/193238370.db2.gz IVVKSHFMVQEXTL-HNNXBMFYSA-N 0 3 321.440 2.630 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)CC2 ZINC000297926142 285396769 /nfs/dbraw/zinc/39/67/69/285396769.db2.gz XIOCZTLYJIQOHL-ZDUSSCGKSA-N 0 3 314.351 2.996 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c([O-])c1C ZINC000273419101 130119350 /nfs/dbraw/zinc/11/93/50/130119350.db2.gz RUEBKGVAYAFQEQ-CYBMUJFWSA-N 0 3 302.374 2.683 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c([O-])c1C ZINC000273452862 130123948 /nfs/dbraw/zinc/12/39/48/130123948.db2.gz GKQHTEDQUJZTAG-LSDHHAIUSA-N 0 3 321.417 2.582 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@@H](CO)c2ccc(F)cc2)c1 ZINC000273504068 130129686 /nfs/dbraw/zinc/12/96/86/130129686.db2.gz QSZPGRVXCBAJDI-ZBEGNZNMSA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c([O-])c1C ZINC000273588445 130139792 /nfs/dbraw/zinc/13/97/92/130139792.db2.gz OMSRIABUIAYGOF-OAHLLOKOSA-N 0 3 306.450 2.770 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000273613267 130145275 /nfs/dbraw/zinc/14/52/75/130145275.db2.gz WRASXZGMLBQQIV-CFVMTHIKSA-N 0 3 320.433 2.702 20 10 DFCDHN CCOC(=O)C[C@](C)([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000274781266 130261128 /nfs/dbraw/zinc/26/11/28/130261128.db2.gz VQKQYBPDEYJBKP-KRWDZBQOSA-N 0 3 323.389 2.578 20 10 DFCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1[O-] ZINC000274960032 130276911 /nfs/dbraw/zinc/27/69/11/130276911.db2.gz WKZFUBUKPXRCRP-SCTDSRPQSA-N 0 3 318.461 2.811 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000283864061 131030156 /nfs/dbraw/zinc/03/01/56/131030156.db2.gz CISULMXAGGOGIX-HIFRSBDPSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000283864061 131030158 /nfs/dbraw/zinc/03/01/58/131030158.db2.gz CISULMXAGGOGIX-HIFRSBDPSA-N 0 3 307.390 2.553 20 10 DFCDHN COCCN1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284045196 131043479 /nfs/dbraw/zinc/04/34/79/131043479.db2.gz KAAXLUHMKFTXJH-OAHLLOKOSA-N 0 3 306.450 2.770 20 10 DFCDHN CCNC(=O)C1(C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CCC1 ZINC000285234271 131149414 /nfs/dbraw/zinc/14/94/14/131149414.db2.gz PKGJLFRXGUDTON-CQSZACIVSA-N 0 3 304.434 2.966 20 10 DFCDHN CCOC1CC(CN2CCN(c3ccc(OC)c(F)c3)CC2)C1 ZINC000286582377 131242518 /nfs/dbraw/zinc/24/25/18/131242518.db2.gz WPLHESVRSOTYGQ-UHFFFAOYSA-N 0 3 322.424 2.771 20 10 DFCDHN C[C@H]([NH2+]CCC1(O)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000287287558 131273733 /nfs/dbraw/zinc/27/37/33/131273733.db2.gz DCZREADMGDMMKY-AWEZNQCLSA-N 0 3 319.445 2.853 20 10 DFCDHN COc1ccc(O)c(CN(CCN(C)C)Cc2ccc(C)o2)c1 ZINC000289183210 131363640 /nfs/dbraw/zinc/36/36/40/131363640.db2.gz ASALWRSBBVXMHC-UHFFFAOYSA-N 0 3 318.417 2.866 20 10 DFCDHN C[C@@H](CO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000289183230 131363951 /nfs/dbraw/zinc/36/39/51/131363951.db2.gz ASGWUNSLFUKAOP-AWEZNQCLSA-N 0 3 301.386 2.784 20 10 DFCDHN C[C@@H](CO)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000289183230 131363952 /nfs/dbraw/zinc/36/39/52/131363952.db2.gz ASGWUNSLFUKAOP-AWEZNQCLSA-N 0 3 301.386 2.784 20 10 DFCDHN COCCCN(Cc1ccncc1)Cc1cc(OC)ccc1O ZINC000289434965 131386208 /nfs/dbraw/zinc/38/62/08/131386208.db2.gz LGHHHRQADLTARD-UHFFFAOYSA-N 0 3 316.401 2.835 20 10 DFCDHN CN(C)c1ccc(CNC(=O)CN(C2CCC2)C2CCC2)cc1 ZINC000298101798 132046175 /nfs/dbraw/zinc/04/61/75/132046175.db2.gz IVUTUDRUTJNXHY-UHFFFAOYSA-N 0 3 315.461 2.776 20 10 DFCDHN C[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000189003408 287045401 /nfs/dbraw/zinc/04/54/01/287045401.db2.gz VXWQMUCUCDMSRR-CABCVRRESA-N 0 3 303.450 2.804 20 10 DFCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000066703819 425905990 /nfs/dbraw/zinc/90/59/90/425905990.db2.gz BHXOBADQBMKOKZ-CQSZACIVSA-N 0 3 319.449 2.797 20 10 DFCDHN CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000066703820 425906135 /nfs/dbraw/zinc/90/61/35/425906135.db2.gz BHXOBADQBMKOKZ-AWEZNQCLSA-N 0 3 319.449 2.797 20 10 DFCDHN Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000111234992 426039750 /nfs/dbraw/zinc/03/97/50/426039750.db2.gz UXAZLGVJOKBUTL-QGZVFWFLSA-N 0 3 315.413 2.881 20 10 DFCDHN Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000111234992 426039753 /nfs/dbraw/zinc/03/97/53/426039753.db2.gz UXAZLGVJOKBUTL-QGZVFWFLSA-N 0 3 315.413 2.881 20 10 DFCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)CC1CCOCC1 ZINC000112698060 426087456 /nfs/dbraw/zinc/08/74/56/426087456.db2.gz KEYVZWXQCOCWAC-KRWDZBQOSA-N 0 3 305.418 2.800 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CCOCC1 ZINC000112698060 426087459 /nfs/dbraw/zinc/08/74/59/426087459.db2.gz KEYVZWXQCOCWAC-KRWDZBQOSA-N 0 3 305.418 2.800 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000128498063 426120166 /nfs/dbraw/zinc/12/01/66/426120166.db2.gz AXSZIPFJPGABPE-CQSZACIVSA-N 0 3 315.417 2.904 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000128498063 426120168 /nfs/dbraw/zinc/12/01/68/426120168.db2.gz AXSZIPFJPGABPE-CQSZACIVSA-N 0 3 315.417 2.904 20 10 DFCDHN COc1ccc(O)c(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000089726463 426304480 /nfs/dbraw/zinc/30/44/80/426304480.db2.gz LVRZSMJFLMZWBI-AMXDTQDGSA-N 0 3 319.426 2.989 20 10 DFCDHN CN(C)c1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000092661171 426351702 /nfs/dbraw/zinc/35/17/02/426351702.db2.gz MUSPAXPFAPBXON-IBGZPJMESA-N 0 3 318.461 2.913 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC[C@H](n3cccn3)C2)c1 ZINC000092968189 426352198 /nfs/dbraw/zinc/35/21/98/426352198.db2.gz SLJUNSSIDOGBCX-HNNXBMFYSA-N 0 3 301.390 2.825 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000092968189 426352201 /nfs/dbraw/zinc/35/22/01/426352201.db2.gz SLJUNSSIDOGBCX-HNNXBMFYSA-N 0 3 301.390 2.825 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000092968189 426352205 /nfs/dbraw/zinc/35/22/05/426352205.db2.gz SLJUNSSIDOGBCX-HNNXBMFYSA-N 0 3 301.390 2.825 20 10 DFCDHN COc1cccc(C[NH+]2CCC(OC3CCOCC3)CC2)c1[O-] ZINC000093140891 426352406 /nfs/dbraw/zinc/35/24/06/426352406.db2.gz KHOPYEVFLLQSEM-UHFFFAOYSA-N 0 3 321.417 2.561 20 10 DFCDHN CCOC(=O)N[C@H]1CCCN(Cc2cc(OCC)ccc2O)C1 ZINC000154012121 426418549 /nfs/dbraw/zinc/41/85/49/426418549.db2.gz IQBMTPNZGPPORE-AWEZNQCLSA-N 0 3 322.405 2.501 20 10 DFCDHN CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000154978785 426461090 /nfs/dbraw/zinc/46/10/90/426461090.db2.gz YVRDRBZMQNLXLQ-INMHGKMJSA-N 0 3 306.450 2.932 20 10 DFCDHN CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(C)cc1[O-] ZINC000280251923 426531167 /nfs/dbraw/zinc/53/11/67/426531167.db2.gz WSCZSMHGHLAAQP-CQSZACIVSA-N 0 3 313.463 2.955 20 10 DFCDHN CC[C@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280075775 426503479 /nfs/dbraw/zinc/50/34/79/426503479.db2.gz LKJGTTLTCUJDAU-RDJZCZTQSA-N 0 3 306.450 2.710 20 10 DFCDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280119744 426503509 /nfs/dbraw/zinc/50/35/09/426503509.db2.gz OGJSFIYCBSROPM-FUHWJXTLSA-N 0 3 319.493 2.625 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000280584352 426607562 /nfs/dbraw/zinc/60/75/62/426607562.db2.gz WYUZXUPALRHGNC-IYOUNJFTSA-N 0 3 321.417 2.559 20 10 DFCDHN CC[C@H](C[NH2+]Cc1cccc(OC)c1[O-])NC(=O)OC(C)(C)C ZINC000227719396 426631375 /nfs/dbraw/zinc/63/13/75/426631375.db2.gz PTDJREVAZZUNJH-CYBMUJFWSA-N 0 3 324.421 2.794 20 10 DFCDHN CC[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000233882949 426656304 /nfs/dbraw/zinc/65/63/04/426656304.db2.gz BCURYCZLPBXDLY-ZDUSSCGKSA-N 0 3 312.385 2.924 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1ccc(C)cc1[O-] ZINC000280888440 426677627 /nfs/dbraw/zinc/67/76/27/426677627.db2.gz DZWUUWCMEBAAPA-RDJZCZTQSA-N 0 3 304.434 3.000 20 10 DFCDHN CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1ccc(C)cc1[O-] ZINC000280888438 426678901 /nfs/dbraw/zinc/67/89/01/426678901.db2.gz DZWUUWCMEBAAPA-NVXWUHKLSA-N 0 3 304.434 3.000 20 10 DFCDHN C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc2c(c1)CCO2 ZINC000227684875 426628574 /nfs/dbraw/zinc/62/85/74/426628574.db2.gz XTAPVRSATVRAFV-LBPRGKRZSA-N 0 3 306.406 2.624 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000290158963 426704401 /nfs/dbraw/zinc/70/44/01/426704401.db2.gz LRCDTYLUZFROEZ-RHSMWYFYSA-N 0 3 319.788 2.938 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1[O-] ZINC000273699575 426710311 /nfs/dbraw/zinc/71/03/11/426710311.db2.gz CZKHZHSHBMJERQ-SMDDNHRTSA-N 0 3 310.825 2.580 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1[O-] ZINC000273699575 426710314 /nfs/dbraw/zinc/71/03/14/426710314.db2.gz CZKHZHSHBMJERQ-SMDDNHRTSA-N 0 3 310.825 2.580 20 10 DFCDHN COCC[C@@H](CO)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000281565691 426724084 /nfs/dbraw/zinc/72/40/84/426724084.db2.gz KBIPIMHOACWULL-ZBFHGGJFSA-N 0 3 324.440 2.864 20 10 DFCDHN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1cc2c(cc1O)CCCC2 ZINC000281588324 426725785 /nfs/dbraw/zinc/72/57/85/426725785.db2.gz LNQBVAZOLNMQEQ-KGLIPLIRSA-N 0 3 316.445 2.933 20 10 DFCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000281588324 426725789 /nfs/dbraw/zinc/72/57/89/426725789.db2.gz LNQBVAZOLNMQEQ-KGLIPLIRSA-N 0 3 316.445 2.933 20 10 DFCDHN COc1ccc(CN[C@@H](C)c2cc(C)ccc2O)c(OC)n1 ZINC000290280721 426732814 /nfs/dbraw/zinc/73/28/14/426732814.db2.gz XDYZTVKSBHHVOO-LBPRGKRZSA-N 0 3 302.374 2.964 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1OC ZINC000245545649 426750679 /nfs/dbraw/zinc/75/06/79/426750679.db2.gz UGODZCHMQWDEEF-KSSFIOAISA-N 0 3 321.417 2.536 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1OC ZINC000245545649 426750683 /nfs/dbraw/zinc/75/06/83/426750683.db2.gz UGODZCHMQWDEEF-KSSFIOAISA-N 0 3 321.417 2.536 20 10 DFCDHN CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179581686 426801820 /nfs/dbraw/zinc/80/18/20/426801820.db2.gz CWKYQLXSRYEFNF-CQSZACIVSA-N 0 3 306.406 2.881 20 10 DFCDHN CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179581686 426801826 /nfs/dbraw/zinc/80/18/26/426801826.db2.gz CWKYQLXSRYEFNF-CQSZACIVSA-N 0 3 306.406 2.881 20 10 DFCDHN CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000179562615 426803249 /nfs/dbraw/zinc/80/32/49/426803249.db2.gz GDCMTJXQQSKLAE-HOCLYGCPSA-N 0 3 304.434 2.909 20 10 DFCDHN CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000179562615 426803255 /nfs/dbraw/zinc/80/32/55/426803255.db2.gz GDCMTJXQQSKLAE-HOCLYGCPSA-N 0 3 304.434 2.909 20 10 DFCDHN COc1ccc(O)c(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000290832908 426849096 /nfs/dbraw/zinc/84/90/96/426849096.db2.gz HSARZAOQAQPSDD-SJORKVTESA-N 0 3 303.402 2.934 20 10 DFCDHN COc1cccc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1O ZINC000290881612 426862160 /nfs/dbraw/zinc/86/21/60/426862160.db2.gz KUQOLQRYDDNZOI-RDJZCZTQSA-N 0 3 303.402 2.934 20 10 DFCDHN COc1cccc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000290881599 426862780 /nfs/dbraw/zinc/86/27/80/426862780.db2.gz KUQOLQRYDDNZOI-DOTOQJQBSA-N 0 3 303.402 2.934 20 10 DFCDHN C[S@](=O)C1(CNCc2ccc(N3CCCCC3)cc2)CC1 ZINC000282292712 426872878 /nfs/dbraw/zinc/87/28/78/426872878.db2.gz JEANFCZFBJJEEF-NRFANRHFSA-N 0 3 306.475 2.678 20 10 DFCDHN COC[C@@H]1CCN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295256915 426880264 /nfs/dbraw/zinc/88/02/64/426880264.db2.gz XNORLLDYHYMNGS-KRWDZBQOSA-N 0 3 304.434 2.523 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1C ZINC000282923196 426933431 /nfs/dbraw/zinc/93/34/31/426933431.db2.gz WALWYLSSMTYRIL-CRAIPNDOSA-N 0 3 319.445 2.666 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(F)ccc1[O-] ZINC000282957853 426934998 /nfs/dbraw/zinc/93/49/98/426934998.db2.gz CIIZDWBBGDKVHB-DCGLDWPTSA-N 0 3 323.408 2.750 20 10 DFCDHN CC[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CCOC(C)(C)C1 ZINC000291635448 426935136 /nfs/dbraw/zinc/93/51/36/426935136.db2.gz STZOPBGAWQVBIN-ZDUSSCGKSA-N 0 3 307.390 2.900 20 10 DFCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CCOC(C)(C)C1 ZINC000291635448 426935143 /nfs/dbraw/zinc/93/51/43/426935143.db2.gz STZOPBGAWQVBIN-ZDUSSCGKSA-N 0 3 307.390 2.900 20 10 DFCDHN COc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000291807582 426995532 /nfs/dbraw/zinc/99/55/32/426995532.db2.gz XUVZJRBCBPJOHQ-CQSZACIVSA-N 0 3 316.376 2.908 20 10 DFCDHN COC1CCN(c2ccc(CN(C)C[C@H]3CCCO3)cc2)CC1 ZINC000295545357 427000153 /nfs/dbraw/zinc/00/01/53/427000153.db2.gz OTODNNJQWIQUGZ-LJQANCHMSA-N 0 3 318.461 2.913 20 10 DFCDHN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296225040 427118178 /nfs/dbraw/zinc/11/81/78/427118178.db2.gz AEHOLBBFKSTEGZ-AAEUAGOBSA-N 0 3 306.406 2.882 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOCC(F)(F)C(F)F)CC2 ZINC000296258937 427126956 /nfs/dbraw/zinc/12/69/56/427126956.db2.gz BPIKNKKDAICMSQ-JTQLQIEISA-N 0 3 307.287 2.886 20 10 DFCDHN CO[C@H](C)[C@@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268837708 427134542 /nfs/dbraw/zinc/13/45/42/427134542.db2.gz HBXOQFAGQATOQC-LXTVHRRPSA-N 0 3 324.440 2.952 20 10 DFCDHN CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CCC1 ZINC000277338292 427171118 /nfs/dbraw/zinc/17/11/18/427171118.db2.gz UXIWONLGLKGLKF-AWEZNQCLSA-N 0 3 304.434 2.966 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[O-] ZINC000183247727 427232112 /nfs/dbraw/zinc/23/21/12/427232112.db2.gz MWHFAQVWZAEUMU-OAHLLOKOSA-N 0 3 321.417 2.766 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[O-] ZINC000183247727 427232121 /nfs/dbraw/zinc/23/21/21/427232121.db2.gz MWHFAQVWZAEUMU-OAHLLOKOSA-N 0 3 321.417 2.766 20 10 DFCDHN COC1CCN(c2ccc(CN3CCCO[C@H](C)C3)cc2)CC1 ZINC000297026469 427308637 /nfs/dbraw/zinc/30/86/37/427308637.db2.gz HBRCQCBTPAFUMP-MRXNPFEDSA-N 0 3 318.461 2.913 20 10 DFCDHN COc1cccc(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000270085909 427318084 /nfs/dbraw/zinc/31/80/84/427318084.db2.gz KCOKOITZOXFANK-IPQOISQHSA-N 0 3 319.426 2.989 20 10 DFCDHN COc1cc([O-])c(C[N@@H+](C)C2CCC(OC)CC2)cc1OC ZINC000271103604 427403990 /nfs/dbraw/zinc/40/39/90/427403990.db2.gz QMUNCBVZJHLBBW-UHFFFAOYSA-N 0 3 309.406 2.799 20 10 DFCDHN COc1cc([O-])c(C[N@H+](C)C2CCC(OC)CC2)cc1OC ZINC000271103604 427403997 /nfs/dbraw/zinc/40/39/97/427403997.db2.gz QMUNCBVZJHLBBW-UHFFFAOYSA-N 0 3 309.406 2.799 20 10 DFCDHN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000270631827 427363809 /nfs/dbraw/zinc/36/38/09/427363809.db2.gz HTGRZVGBBYNXDV-LRDDRELGSA-N 0 3 307.390 2.804 20 10 DFCDHN Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(C)c3[O-])C2)n(C)n1 ZINC000278774829 427449618 /nfs/dbraw/zinc/44/96/18/427449618.db2.gz VCILYEJTKAEFCG-INIZCTEOSA-N 0 3 314.433 2.501 20 10 DFCDHN CCCN(CCC)c1ccc(CN2CC[C@H](NC(N)=O)C2)cc1 ZINC000271260415 427471475 /nfs/dbraw/zinc/47/14/75/427471475.db2.gz GZTKRYQSTKBHPR-INIZCTEOSA-N 0 3 318.465 2.556 20 10 DFCDHN CCOC1CC(O)(C[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000278183150 427424791 /nfs/dbraw/zinc/42/47/91/427424791.db2.gz BRCFBXVHDVPIJK-DAIYRKSASA-N 0 3 319.445 2.852 20 10 DFCDHN CCN(CC)c1ccc(CN(C)CCc2noc(C)n2)cc1 ZINC000271189620 427438526 /nfs/dbraw/zinc/43/85/26/427438526.db2.gz RVGSHROVYVBFBV-UHFFFAOYSA-N 0 3 302.422 2.899 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000278424846 427440245 /nfs/dbraw/zinc/44/02/45/427440245.db2.gz GJAQBIZQTKDJRB-JKSUJKDBSA-N 0 3 306.450 2.852 20 10 DFCDHN CN(C)c1ccc(CN2CCC(C3(C)OCCO3)CC2)cc1 ZINC000271191703 427443662 /nfs/dbraw/zinc/44/36/62/427443662.db2.gz PYBZZIOGQDIGLK-UHFFFAOYSA-N 0 3 304.434 2.728 20 10 DFCDHN Cc1nnc([C@@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)[nH]1 ZINC000271332297 427497434 /nfs/dbraw/zinc/49/74/34/427497434.db2.gz NHFORFUWJGMRNP-LLVKDONJSA-N 0 3 306.797 2.852 20 10 DFCDHN Cc1nnc([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)[nH]1 ZINC000271332297 427497439 /nfs/dbraw/zinc/49/74/39/427497439.db2.gz NHFORFUWJGMRNP-LLVKDONJSA-N 0 3 306.797 2.852 20 10 DFCDHN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000271332297 427497444 /nfs/dbraw/zinc/49/74/44/427497444.db2.gz NHFORFUWJGMRNP-LLVKDONJSA-N 0 3 306.797 2.852 20 10 DFCDHN Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000271332297 427497451 /nfs/dbraw/zinc/49/74/51/427497451.db2.gz NHFORFUWJGMRNP-LLVKDONJSA-N 0 3 306.797 2.852 20 10 DFCDHN COc1cccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)c1O ZINC000263654692 427530531 /nfs/dbraw/zinc/53/05/31/427530531.db2.gz FMISVBVBOIIBNF-UHFFFAOYSA-N 0 3 318.329 2.607 20 10 DFCDHN CC(C)C(=O)NCC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000184869437 427557114 /nfs/dbraw/zinc/55/71/14/427557114.db2.gz XAPCIOWTPAULDG-CYBMUJFWSA-N 0 3 304.434 2.694 20 10 DFCDHN C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000184935561 427566049 /nfs/dbraw/zinc/56/60/49/427566049.db2.gz QKDBKDSGCGOXNW-LSDHHAIUSA-N 0 3 318.461 2.642 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1 ZINC000185026881 427579913 /nfs/dbraw/zinc/57/99/13/427579913.db2.gz OYQUHJYDAWPQNP-LLVKDONJSA-N 0 3 320.355 2.936 20 10 DFCDHN Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2c2cccnn2)c1[O-] ZINC000271719780 427584179 /nfs/dbraw/zinc/58/41/79/427584179.db2.gz JJVWEGZEUBXLOY-INIZCTEOSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2c2cccnn2)c1[O-] ZINC000271719780 427584185 /nfs/dbraw/zinc/58/41/85/427584185.db2.gz JJVWEGZEUBXLOY-INIZCTEOSA-N 0 3 312.417 2.591 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000271771993 427585330 /nfs/dbraw/zinc/58/53/30/427585330.db2.gz DJJKQTCMKAQFAG-PIGZYNQJSA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1cccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1[O-] ZINC000271793967 427585907 /nfs/dbraw/zinc/58/59/07/427585907.db2.gz HISKQWJSOCGLEM-INIZCTEOSA-N 0 3 310.397 2.875 20 10 DFCDHN COc1cc(O)c(CN[C@H]2CCc3c2cccc3O)cc1OC ZINC000271900576 427591261 /nfs/dbraw/zinc/59/12/61/427591261.db2.gz VNSQFJZABKHOLD-AWEZNQCLSA-N 0 3 315.369 2.892 20 10 DFCDHN C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000185114782 427595168 /nfs/dbraw/zinc/59/51/68/427595168.db2.gz JIZIAVXNAGRYTL-JSGCOSHPSA-N 0 3 312.841 2.543 20 10 DFCDHN COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185098466 427596692 /nfs/dbraw/zinc/59/66/92/427596692.db2.gz QOWCRUQXHMCUJD-MEDUHNTESA-N 0 3 305.349 2.924 20 10 DFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185345020 427636834 /nfs/dbraw/zinc/63/68/34/427636834.db2.gz MDCOEBISWXSQQJ-SJORKVTESA-N 0 3 319.493 2.625 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c1 ZINC000185444095 427654745 /nfs/dbraw/zinc/65/47/45/427654745.db2.gz MVNBZFSSKAPYMS-ZDUSSCGKSA-N 0 3 320.433 2.700 20 10 DFCDHN CCn1nccc1C1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000279461460 427679399 /nfs/dbraw/zinc/67/93/99/427679399.db2.gz RDHRIFJLSBLMQA-UHFFFAOYSA-N 0 3 315.417 2.997 20 10 DFCDHN OC1CCN(c2ccc(CNC[C@H]3CCC=CO3)cc2F)CC1 ZINC000194265154 427737049 /nfs/dbraw/zinc/73/70/49/427737049.db2.gz UOFXDCGQKNSFNQ-MRXNPFEDSA-N 0 3 320.408 2.569 20 10 DFCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000186021486 427740941 /nfs/dbraw/zinc/74/09/41/427740941.db2.gz MRNNFOXSILWJPF-PWSUYJOCSA-N 0 3 316.323 2.514 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCc3ccccc3OC1)OCO2 ZINC000370284885 428173784 /nfs/dbraw/zinc/17/37/84/428173784.db2.gz HNBBQJKSBDPDPE-AWEZNQCLSA-N 0 3 313.353 2.604 20 10 DFCDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1OC ZINC000371357378 428385353 /nfs/dbraw/zinc/38/53/53/428385353.db2.gz KPGUFPXTCAWJBU-CSMYWGQOSA-N 0 3 321.417 2.655 20 10 DFCDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1OC ZINC000371357378 428385357 /nfs/dbraw/zinc/38/53/57/428385357.db2.gz KPGUFPXTCAWJBU-CSMYWGQOSA-N 0 3 321.417 2.655 20 10 DFCDHN O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000372979816 428509969 /nfs/dbraw/zinc/50/99/69/428509969.db2.gz UTYBXAKDRIXAFJ-OAHLLOKOSA-N 0 3 311.385 2.638 20 10 DFCDHN O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000372979816 428509975 /nfs/dbraw/zinc/50/99/75/428509975.db2.gz UTYBXAKDRIXAFJ-OAHLLOKOSA-N 0 3 311.385 2.638 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cccc(C)c2[O-])n1 ZINC000373226906 428524138 /nfs/dbraw/zinc/52/41/38/428524138.db2.gz DMMOKQXTSWVTSF-KRWDZBQOSA-N 0 3 314.433 2.964 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2Cc2cccc(C)c2[O-])n1 ZINC000373226906 428524142 /nfs/dbraw/zinc/52/41/42/428524142.db2.gz DMMOKQXTSWVTSF-KRWDZBQOSA-N 0 3 314.433 2.964 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc(Cl)ccc1[O-] ZINC000373252468 428528464 /nfs/dbraw/zinc/52/84/64/428528464.db2.gz NMXXPNFDLGWOMH-FPMFFAJLSA-N 0 3 310.825 2.559 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1ccccc1[O-] ZINC000373459540 428581599 /nfs/dbraw/zinc/58/15/99/428581599.db2.gz MBAZGJGBRMWEQX-HOCLYGCPSA-N 0 3 312.417 2.892 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)c1 ZINC000373604565 428618172 /nfs/dbraw/zinc/61/81/72/428618172.db2.gz RDEIEJSJFJYLQY-GOSISDBHSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CC(C)(C)O[C@]3(CCCOC3)C2)c1 ZINC000373604565 428618178 /nfs/dbraw/zinc/61/81/78/428618178.db2.gz RDEIEJSJFJYLQY-GOSISDBHSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1ccc(O)c(CN2CC(C)(C)O[C@]3(CCCOC3)C2)c1 ZINC000373604565 428618184 /nfs/dbraw/zinc/61/81/84/428618184.db2.gz RDEIEJSJFJYLQY-GOSISDBHSA-N 0 3 305.418 2.861 20 10 DFCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000373738112 428643972 /nfs/dbraw/zinc/64/39/72/428643972.db2.gz NFPBDAFAUPERTA-JOQOYGCGSA-N 0 3 310.397 2.631 20 10 DFCDHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000373738112 428643977 /nfs/dbraw/zinc/64/39/77/428643977.db2.gz NFPBDAFAUPERTA-JOQOYGCGSA-N 0 3 310.397 2.631 20 10 DFCDHN Cc1cccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000373877356 428653904 /nfs/dbraw/zinc/65/39/04/428653904.db2.gz ANLUSAAIIYFCDR-ZBFHGGJFSA-N 0 3 302.418 2.581 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+](C)C2CCN(c3cccnn3)CC2)c1 ZINC000374257640 428670679 /nfs/dbraw/zinc/67/06/79/428670679.db2.gz ZMXWJEQDVSBHKA-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+](C)C2CCN(c3cccnn3)CC2)c1 ZINC000374257640 428670686 /nfs/dbraw/zinc/67/06/86/428670686.db2.gz ZMXWJEQDVSBHKA-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN COc1ccc(O)c(CN2CCC(C)(c3nc(C)no3)CC2)c1 ZINC000374741688 428742461 /nfs/dbraw/zinc/74/24/61/428742461.db2.gz COFBHHZYPVLWIU-UHFFFAOYSA-N 0 3 317.389 2.646 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(C)(c3nc(C)no3)CC2)c1 ZINC000374741688 428742469 /nfs/dbraw/zinc/74/24/69/428742469.db2.gz COFBHHZYPVLWIU-UHFFFAOYSA-N 0 3 317.389 2.646 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c([O-])c1C ZINC000363868515 429131966 /nfs/dbraw/zinc/13/19/66/429131966.db2.gz NPTWJCIVIXJDQK-HUUCEWRRSA-N 0 3 314.433 2.672 20 10 DFCDHN COc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000366807763 429517703 /nfs/dbraw/zinc/51/77/03/429517703.db2.gz IJMAHVQWERNTOP-SUNYJGFJSA-N 0 3 321.417 2.559 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000367307212 429617403 /nfs/dbraw/zinc/61/74/03/429617403.db2.gz FXCPKJSTDMKNQC-MRXNPFEDSA-N 0 3 312.417 2.846 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(c2ncccn2)CC1 ZINC000367307212 429617405 /nfs/dbraw/zinc/61/74/05/429617405.db2.gz FXCPKJSTDMKNQC-MRXNPFEDSA-N 0 3 312.417 2.846 20 10 DFCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)[C@@]12CCCO2 ZINC000272681518 276345690 /nfs/dbraw/zinc/34/56/90/276345690.db2.gz NAUDYXSYEWKZOW-KURKYZTESA-N 0 3 322.424 2.708 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000368047060 429774835 /nfs/dbraw/zinc/77/48/35/429774835.db2.gz ZRBFJYXDPQUNKD-QWQRMKEZSA-N 0 3 321.417 2.732 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000368047061 429774894 /nfs/dbraw/zinc/77/48/94/429774894.db2.gz ZRBFJYXDPQUNKD-SUNYJGFJSA-N 0 3 321.417 2.732 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c([O-])c1 ZINC000368360982 429835756 /nfs/dbraw/zinc/83/57/56/429835756.db2.gz BCSKHLFAAKAZOF-XNRPHZJLSA-N 0 3 311.447 2.707 20 10 DFCDHN Cc1ncccc1/C=C\C(=O)N(CCN(C)C)c1ccccc1 ZINC000493699223 429812386 /nfs/dbraw/zinc/81/23/86/429812386.db2.gz XVIRTWZZUREJFJ-QXMHVHEDSA-N 0 3 309.413 2.998 20 10 DFCDHN COCCOCCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280005520 277537124 /nfs/dbraw/zinc/53/71/24/277537124.db2.gz SBVNVLDERPWPAB-UHFFFAOYSA-N 0 3 320.355 2.524 20 10 DFCDHN Cc1cccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1O ZINC000179783944 281217158 /nfs/dbraw/zinc/21/71/58/281217158.db2.gz NXBIFURDRPYSSV-QGZVFWFLSA-N 0 3 310.397 2.764 20 10 DFCDHN C[C@H](CC(N)=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000282860810 298351113 /nfs/dbraw/zinc/35/11/13/298351113.db2.gz UPIRGKFMRKGHMM-CHWSQXEVSA-N 0 3 323.868 2.930 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2cc(CO)ccc2F)c1 ZINC000528437819 300790557 /nfs/dbraw/zinc/79/05/57/300790557.db2.gz ODDYUBAKBHREPI-LLVKDONJSA-N 0 3 305.349 2.883 20 10 DFCDHN Cc1cccc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)c1O ZINC000293768124 335113302 /nfs/dbraw/zinc/11/33/02/335113302.db2.gz YHJSHOIAHGZHNM-GOSISDBHSA-N 0 3 324.424 2.634 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1[O-] ZINC000293768124 335113303 /nfs/dbraw/zinc/11/33/03/335113303.db2.gz YHJSHOIAHGZHNM-GOSISDBHSA-N 0 3 324.424 2.634 20 10 DFCDHN Cc1cccc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c1[O-] ZINC000293768124 335113304 /nfs/dbraw/zinc/11/33/04/335113304.db2.gz YHJSHOIAHGZHNM-GOSISDBHSA-N 0 3 324.424 2.634 20 10 DFCDHN C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(F)ccc1[O-] ZINC000176982517 332966550 /nfs/dbraw/zinc/96/65/50/332966550.db2.gz CTTGRIOBENYCME-GFCCVEGCSA-N 0 3 316.380 2.641 20 10 DFCDHN CCOc1cccc(CN(C)CCNC(=O)OC(C)(C)C)c1O ZINC000296585547 335144739 /nfs/dbraw/zinc/14/47/39/335144739.db2.gz PYYDRSHKQMQCHN-UHFFFAOYSA-N 0 3 324.421 2.747 20 10 DFCDHN CN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000277600203 334089331 /nfs/dbraw/zinc/08/93/31/334089331.db2.gz OQLJUFNDTZSJFK-MRXNPFEDSA-N 0 3 317.433 2.551 20 10 DFCDHN Cc1cnccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000296343999 334232333 /nfs/dbraw/zinc/23/23/33/334232333.db2.gz IMTOPAFRKZOAIK-UHFFFAOYSA-N 0 3 315.392 2.656 20 10 DFCDHN CC[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccccc1[O-] ZINC000192710765 336259094 /nfs/dbraw/zinc/25/90/94/336259094.db2.gz OTZMOHXYOVIEKV-MRXNPFEDSA-N 0 3 312.417 2.892 20 10 DFCDHN CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000192743691 336260229 /nfs/dbraw/zinc/26/02/29/336260229.db2.gz QDHLOEKCWRLWMG-CYBMUJFWSA-N 0 3 306.406 2.972 20 10 DFCDHN Oc1ccc(Cl)cc1CN1CCN([C@H]2CCSC2)CC1 ZINC000367535152 336824513 /nfs/dbraw/zinc/82/45/13/336824513.db2.gz DQLMSDCMXORBAA-AWEZNQCLSA-N 0 3 312.866 2.669 20 10 DFCDHN Cc1cccc(C[NH2+][C@H]2CCN(C(=O)Cc3ccccc3)C2)c1[O-] ZINC000368489009 336846030 /nfs/dbraw/zinc/84/60/30/336846030.db2.gz WKMBBWMPNZUEFY-SFHVURJKSA-N 0 3 324.424 2.634 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c([O-])c1 ZINC000374269989 336985406 /nfs/dbraw/zinc/98/54/06/336985406.db2.gz PDTDHXYDBBJJGZ-MAUKXSAKSA-N 0 3 321.417 2.609 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(C)cc1[O-] ZINC000375307046 337007761 /nfs/dbraw/zinc/00/77/61/337007761.db2.gz ZXFVLZKGUWQMAN-MPGHIAIKSA-N 0 3 302.418 2.799 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1C ZINC000375420321 337010994 /nfs/dbraw/zinc/01/09/94/337010994.db2.gz SRPUBCJISWWCID-SCTDSRPQSA-N 0 3 319.445 2.761 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1C ZINC000375420321 337010995 /nfs/dbraw/zinc/01/09/95/337010995.db2.gz SRPUBCJISWWCID-SCTDSRPQSA-N 0 3 319.445 2.761 20 10 DFCDHN CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000375845834 337021299 /nfs/dbraw/zinc/02/12/99/337021299.db2.gz HIJIYULMBHNONJ-KBPBESRZSA-N 0 3 314.433 2.829 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)c1cc(F)ccc1[O-] ZINC000376308464 337031018 /nfs/dbraw/zinc/03/10/18/337031018.db2.gz SKUZKFBQGMDJBI-JSGCOSHPSA-N 0 3 316.380 2.641 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@H]3CO2)c([O-])c1 ZINC000376894158 337043379 /nfs/dbraw/zinc/04/33/79/337043379.db2.gz RORXJHWZLGRMGA-HRCADAONSA-N 0 3 304.434 2.605 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(CC(C)(C)O)CC1 ZINC000377665111 337057966 /nfs/dbraw/zinc/05/79/66/337057966.db2.gz ANXGWQVYWFYIPX-MRXNPFEDSA-N 0 3 306.450 2.622 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(CC(C)(C)O)CC1 ZINC000377665111 337057967 /nfs/dbraw/zinc/05/79/67/337057967.db2.gz ANXGWQVYWFYIPX-MRXNPFEDSA-N 0 3 306.450 2.622 20 10 DFCDHN Cc1ccc(O)c(CN2CCN(c3ccc(F)cn3)CC2)c1 ZINC000377690074 337058623 /nfs/dbraw/zinc/05/86/23/337058623.db2.gz CUASACPYOCEQLQ-UHFFFAOYSA-N 0 3 301.365 2.557 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000378490558 337074107 /nfs/dbraw/zinc/07/41/07/337074107.db2.gz DUGMVCQJTJUUAB-CVEARBPZSA-N 0 3 306.381 2.507 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000378490558 337074108 /nfs/dbraw/zinc/07/41/08/337074108.db2.gz DUGMVCQJTJUUAB-CVEARBPZSA-N 0 3 306.381 2.507 20 10 DFCDHN COc1cc(Cl)cc(CN[C@H](CO)c2ccccc2)c1O ZINC000228674203 337078149 /nfs/dbraw/zinc/07/81/49/337078149.db2.gz UOSNNJPHALUHLK-CQSZACIVSA-N 0 3 307.777 2.877 20 10 DFCDHN O=C(Nc1nccs1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000360025125 337084011 /nfs/dbraw/zinc/08/40/11/337084011.db2.gz XCHNNONRPFNEIQ-UHFFFAOYSA-N 0 3 317.414 2.699 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@H](Cc3cnn(C)c3)C2)cc1F ZINC000360079118 337085072 /nfs/dbraw/zinc/08/50/72/337085072.db2.gz ZAYJBCFWONBQJV-OAHLLOKOSA-N 0 3 316.424 2.690 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c([O-])c1 ZINC000194261524 337089401 /nfs/dbraw/zinc/08/94/01/337089401.db2.gz YRYLGKBHLHLTQB-FUHWJXTLSA-N 0 3 319.493 2.623 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2c2cccnn2)c([O-])c1 ZINC000359957268 337440942 /nfs/dbraw/zinc/44/09/42/337440942.db2.gz HCNZESRIFGEKQH-HUUCEWRRSA-N 0 3 312.417 2.810 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000528001318 337779402 /nfs/dbraw/zinc/77/94/02/337779402.db2.gz OZPKNAATFOFUDG-MEDUHNTESA-N 0 3 312.369 2.615 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1OC ZINC000529671037 340767488 /nfs/dbraw/zinc/76/74/88/340767488.db2.gz XSSSABKILAEPRZ-HNNXBMFYSA-N 0 3 320.433 2.516 20 10 DFCDHN CCOC(=O)N1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000186462866 520968903 /nfs/dbraw/zinc/96/89/03/520968903.db2.gz UEBKXQZSVQMVNG-HIFRSBDPSA-N 0 3 305.422 2.634 20 10 DFCDHN CCOc1cccc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000179961382 521346398 /nfs/dbraw/zinc/34/63/98/521346398.db2.gz WOKVGXVFYIMPGJ-AWEZNQCLSA-N 0 3 321.417 2.955 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1OC ZINC000181054546 522781236 /nfs/dbraw/zinc/78/12/36/522781236.db2.gz NUBWZJRWOQRGKL-HNNXBMFYSA-N 0 3 309.406 2.845 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1OC ZINC000181054566 522782758 /nfs/dbraw/zinc/78/27/58/522782758.db2.gz NUBWZJRWOQRGKL-OAHLLOKOSA-N 0 3 309.406 2.845 20 10 DFCDHN CC[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000182440617 523672047 /nfs/dbraw/zinc/67/20/47/523672047.db2.gz XBHILVAHNNZCGW-CYBMUJFWSA-N 0 3 302.212 2.714 20 10 DFCDHN COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2[O-])c1 ZINC000182465307 524102829 /nfs/dbraw/zinc/10/28/29/524102829.db2.gz DKXPHIGXSVLFOD-XIKOKIGWSA-N 0 3 317.385 2.794 20 10 DFCDHN COc1ccc(N2CCN(CC[C@@H]3CCCO3)CC2)cc1F ZINC000189535813 524426007 /nfs/dbraw/zinc/42/60/07/524426007.db2.gz XODXPAJPZQXLKD-HNNXBMFYSA-N 0 3 308.397 2.525 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)c1 ZINC000191612051 524775369 /nfs/dbraw/zinc/77/53/69/524775369.db2.gz GBPFUNOHCGKGBX-GOEBONIOSA-N 0 3 315.413 2.963 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000158260470 524775719 /nfs/dbraw/zinc/77/57/19/524775719.db2.gz JKDGGZNVGGDXDQ-DZGCQCFKSA-N 0 3 301.386 2.655 20 10 DFCDHN COc1ccc([C@@H](CCO)NCc2ccc(N(C)C)cc2)cc1 ZINC000128769389 525177578 /nfs/dbraw/zinc/17/75/78/525177578.db2.gz DLTMETFFQZXNSR-LJQANCHMSA-N 0 3 314.429 2.975 20 10 DFCDHN COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000182387959 525378127 /nfs/dbraw/zinc/37/81/27/525378127.db2.gz CRICAKNBFTUUAT-KZULUSFZSA-N 0 3 317.385 2.794 20 10 DFCDHN Cc1ccc([C@@H](CNC(=O)Cc2ccc(N)cc2)N(C)C)cc1 ZINC000237193223 525758522 /nfs/dbraw/zinc/75/85/22/525758522.db2.gz TXAWOQFMKLHYEM-GOSISDBHSA-N 0 3 311.429 2.539 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCOC2)c1[O-] ZINC000180341312 526156760 /nfs/dbraw/zinc/15/67/60/526156760.db2.gz QHAXREAWGWQTQT-LLVKDONJSA-N 0 3 314.223 2.979 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1[O-] ZINC000187986048 526157314 /nfs/dbraw/zinc/15/73/14/526157314.db2.gz VZQHKQCLEOOCBS-ZWNOBZJWSA-N 0 3 314.223 2.714 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000180042642 526348993 /nfs/dbraw/zinc/34/89/93/526348993.db2.gz PQISNTKYPXYPED-CYBMUJFWSA-N 0 3 301.365 2.860 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000180042642 526349000 /nfs/dbraw/zinc/34/90/00/526349000.db2.gz PQISNTKYPXYPED-CYBMUJFWSA-N 0 3 301.365 2.860 20 10 DFCDHN [O-]c1ccccc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000191673442 526371096 /nfs/dbraw/zinc/37/10/96/526371096.db2.gz KRFBZRWHWQPYJW-UHFFFAOYSA-N 0 3 302.349 2.970 20 10 DFCDHN CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402546 534947495 /nfs/dbraw/zinc/94/74/95/534947495.db2.gz NLKGUJVDIVKWNG-STQMWFEESA-N 0 3 307.394 2.683 20 10 DFCDHN CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402546 534947502 /nfs/dbraw/zinc/94/75/02/534947502.db2.gz NLKGUJVDIVKWNG-STQMWFEESA-N 0 3 307.394 2.683 20 10 DFCDHN CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402546 534947507 /nfs/dbraw/zinc/94/75/07/534947507.db2.gz NLKGUJVDIVKWNG-STQMWFEESA-N 0 3 307.394 2.683 20 10 DFCDHN CC(C)N(C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000299522881 534993830 /nfs/dbraw/zinc/99/38/30/534993830.db2.gz ZKXBOIBMRYBCRO-UHFFFAOYSA-N 0 3 317.477 2.976 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@H](O)CCc2ccccc2)c1[O-] ZINC000273140168 535460657 /nfs/dbraw/zinc/46/06/57/535460657.db2.gz OLSRLXSMTPTKBJ-QGZVFWFLSA-N 0 3 315.413 2.874 20 10 DFCDHN CCN(C)c1ccc([C@H](C)NCC2(CS(C)(=O)=O)CC2)cc1 ZINC000090183613 185286066 /nfs/dbraw/zinc/28/60/66/185286066.db2.gz JFGVPGMOAVAQJZ-AWEZNQCLSA-N 0 3 324.490 2.618 20 10 DFCDHN Cc1ccc(O)c(CN2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000092789630 185341399 /nfs/dbraw/zinc/34/13/99/185341399.db2.gz VMAHIVXOGQJBBD-UHFFFAOYSA-N 0 3 312.413 2.724 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1[O-] ZINC000092812764 185343136 /nfs/dbraw/zinc/34/31/36/185343136.db2.gz XONWIQAVZWYQFA-AWEZNQCLSA-N 0 3 313.401 2.730 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1[O-] ZINC000092812764 185343137 /nfs/dbraw/zinc/34/31/37/185343137.db2.gz XONWIQAVZWYQFA-AWEZNQCLSA-N 0 3 313.401 2.730 20 10 DFCDHN CCCN1CC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402544 534946771 /nfs/dbraw/zinc/94/67/71/534946771.db2.gz NLKGUJVDIVKWNG-OLZOCXBDSA-N 0 3 307.394 2.683 20 10 DFCDHN CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402544 534946776 /nfs/dbraw/zinc/94/67/76/534946776.db2.gz NLKGUJVDIVKWNG-OLZOCXBDSA-N 0 3 307.394 2.683 20 10 DFCDHN CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402544 534946783 /nfs/dbraw/zinc/94/67/83/534946783.db2.gz NLKGUJVDIVKWNG-OLZOCXBDSA-N 0 3 307.394 2.683 20 10 DFCDHN C[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000066863485 398403930 /nfs/dbraw/zinc/40/39/30/398403930.db2.gz WWFDVQRSSRAZIZ-OAHLLOKOSA-N 0 3 303.450 2.585 20 10 DFCDHN CN(C)c1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 ZINC000299321472 529782400 /nfs/dbraw/zinc/78/24/00/529782400.db2.gz GRNFRLHJJKZOHQ-LJQANCHMSA-N 0 3 323.440 2.643 20 10 DFCDHN C[C@H](NC[C@@]1(O)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090849196 398494867 /nfs/dbraw/zinc/49/48/67/398494867.db2.gz UTEJQMAKXMNGMU-KSSFIOAISA-N 0 3 322.424 2.618 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093870182 398649016 /nfs/dbraw/zinc/64/90/16/398649016.db2.gz UIJKHXIPGVJRQM-CQSZACIVSA-N 0 3 315.417 2.589 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093870182 398649017 /nfs/dbraw/zinc/64/90/17/398649017.db2.gz UIJKHXIPGVJRQM-CQSZACIVSA-N 0 3 315.417 2.589 20 10 DFCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093898998 398649832 /nfs/dbraw/zinc/64/98/32/398649832.db2.gz NILRZWRTBPENHP-CQSZACIVSA-N 0 3 312.413 2.873 20 10 DFCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093898998 398649835 /nfs/dbraw/zinc/64/98/35/398649835.db2.gz NILRZWRTBPENHP-CQSZACIVSA-N 0 3 312.413 2.873 20 10 DFCDHN CCN(Cc1ccc(C(N)=O)cc1)Cc1ccc(N(C)C)cc1 ZINC000053781749 398882324 /nfs/dbraw/zinc/88/23/24/398882324.db2.gz HFORQATWCZGPIV-UHFFFAOYSA-N 0 3 311.429 2.874 20 10 DFCDHN c1cc(CNCc2ccc3c(c2)CCO3)cc(N2CCCC2)n1 ZINC000077326745 398898937 /nfs/dbraw/zinc/89/89/37/398898937.db2.gz CLYOVYFURMNARY-UHFFFAOYSA-N 0 3 309.413 2.907 20 10 DFCDHN CCCOc1ccc(C[NH+]2CCC(OCCOC)CC2)c([O-])c1 ZINC000093339620 193234317 /nfs/dbraw/zinc/23/43/17/193234317.db2.gz DDWVTSUEAFDUFV-UHFFFAOYSA-N 0 3 323.433 2.808 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@H](c2cccs2)N(C)C)c1 ZINC000021806000 182291326 /nfs/dbraw/zinc/29/13/26/182291326.db2.gz BBCRADOJFBKRIH-CQSZACIVSA-N 0 3 306.431 2.855 20 10 DFCDHN CN(C)C(=O)CC1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000272829103 130067187 /nfs/dbraw/zinc/06/71/87/130067187.db2.gz HNUBRAVDULTJGK-UHFFFAOYSA-N 0 3 321.440 2.582 20 10 DFCDHN C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000272886813 130071475 /nfs/dbraw/zinc/07/14/75/130071475.db2.gz RWQRDSZYAVCCMA-CYBMUJFWSA-N 0 3 319.426 2.788 20 10 DFCDHN C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000273077327 130088048 /nfs/dbraw/zinc/08/80/48/130088048.db2.gz PRWXLQRHZROZHO-LRTDBIEQSA-N 0 3 303.427 2.916 20 10 DFCDHN COCCN1CC[C@@H]([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000273361015 130111436 /nfs/dbraw/zinc/11/14/36/130111436.db2.gz AGZILJKSPPTKIP-RHSMWYFYSA-N 0 3 318.461 2.642 20 10 DFCDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc2ccccc2c1[O-] ZINC000273435210 130120361 /nfs/dbraw/zinc/12/03/61/130120361.db2.gz WUJGOUGZHKEGIG-GDBMZVCRSA-N 0 3 314.429 2.653 20 10 DFCDHN Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000273429311 130121039 /nfs/dbraw/zinc/12/10/39/130121039.db2.gz VFRZDXHTVXJOMG-CYBMUJFWSA-N 0 3 316.376 2.920 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273539571 130134044 /nfs/dbraw/zinc/13/40/44/130134044.db2.gz YBANJHQBBVDFQJ-SWLSCSKDSA-N 0 3 319.376 2.794 20 10 DFCDHN C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273591858 130141630 /nfs/dbraw/zinc/14/16/30/130141630.db2.gz PIQMYVGMGJGUJM-CHWSQXEVSA-N 0 3 300.406 2.602 20 10 DFCDHN C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc2c(cc1[O-])CCCC2 ZINC000273617788 130144901 /nfs/dbraw/zinc/14/49/01/130144901.db2.gz YACPOLSJALIYIX-ZDUSSCGKSA-N 0 3 316.445 2.967 20 10 DFCDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000275433875 130319240 /nfs/dbraw/zinc/31/92/40/130319240.db2.gz FMJHLLQJSMETGK-YOEHRIQHSA-N 0 3 319.380 2.501 20 10 DFCDHN COc1ccc([C@@H](CN(C)C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000284197750 131058504 /nfs/dbraw/zinc/05/85/04/131058504.db2.gz YSZVKVJNDFGMMD-QGZVFWFLSA-N 0 3 300.402 2.793 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c([O-])c1 ZINC000285081858 131136514 /nfs/dbraw/zinc/13/65/14/131136514.db2.gz JOXVOFYTMNJXND-CABCVRRESA-N 0 3 321.417 2.582 20 10 DFCDHN Cc1noc(C)c1C(C)(C)NCc1cc2c(cc1O)OCO2 ZINC000285588337 131184379 /nfs/dbraw/zinc/18/43/79/131184379.db2.gz VRIRROZYSCTKBV-UHFFFAOYSA-N 0 3 304.346 2.751 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1[O-] ZINC000286820122 131251092 /nfs/dbraw/zinc/25/10/92/131251092.db2.gz KIJBQRGQLLBCIA-SJCJKPOMSA-N 0 3 320.408 2.793 20 10 DFCDHN Cc1ccc(O)c(CNCc2cc(C)nc(N3CCCC3)n2)c1 ZINC000292854039 131683161 /nfs/dbraw/zinc/68/31/61/131683161.db2.gz UNIFVLLJSLPKQJ-UHFFFAOYSA-N 0 3 312.417 2.689 20 10 DFCDHN O=C(NCCC[NH2+][C@H]1CCc2cccc([O-])c21)c1cccs1 ZINC000296800071 131987818 /nfs/dbraw/zinc/98/78/18/131987818.db2.gz LLPJGWJQAQJFHW-ZDUSSCGKSA-N 0 3 316.426 2.851 20 10 DFCDHN COc1ccc(CN[C@H]2CCc3cccc(O)c32)c(OC)n1 ZINC000297410769 132014299 /nfs/dbraw/zinc/01/42/99/132014299.db2.gz TWZJTWZUTFTPQW-ZDUSSCGKSA-N 0 3 300.358 2.582 20 10 DFCDHN CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297542487 132021989 /nfs/dbraw/zinc/02/19/89/132021989.db2.gz FDXUALKDZMYQGG-DLBZAZTESA-N 0 3 324.424 2.669 20 10 DFCDHN CCC[C@@H](CCO)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230934942 542893435 /nfs/dbraw/zinc/89/34/35/542893435.db2.gz QQYSRYBIXWOMMM-NSHDSACASA-N 0 3 301.814 2.943 20 10 DFCDHN C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Cl)ccc1[O-] ZINC000185115980 287024054 /nfs/dbraw/zinc/02/40/54/287024054.db2.gz GOTPLDKTCRDECI-GFCCVEGCSA-N 0 3 312.841 2.543 20 10 DFCDHN CCCN(Cc1ccccc1O)C(=O)NCCN(CC)C1CC1 ZINC000066702855 425906013 /nfs/dbraw/zinc/90/60/13/425906013.db2.gz RZWXCUHVNNIHGA-UHFFFAOYSA-N 0 3 319.449 2.798 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@@H](CNC(C)=O)C2)cc1 ZINC000155547016 425920692 /nfs/dbraw/zinc/92/06/92/425920692.db2.gz UBINNGPPOIZFGN-SFHVURJKSA-N 0 3 317.477 2.881 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c([O-])c1 ZINC000155605735 425921676 /nfs/dbraw/zinc/92/16/76/425921676.db2.gz VENBVSDQDNZTMK-OAHLLOKOSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)c([O-])c1 ZINC000155605735 425921679 /nfs/dbraw/zinc/92/16/79/425921679.db2.gz VENBVSDQDNZTMK-OAHLLOKOSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCN(CC(=O)N1CCC(C)CC1)Cc1ccccc1O ZINC000069009989 425927268 /nfs/dbraw/zinc/92/72/68/425927268.db2.gz ZUPWFBNHBOZELZ-UHFFFAOYSA-N 0 3 304.434 2.863 20 10 DFCDHN C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007114522 425636263 /nfs/dbraw/zinc/63/62/63/425636263.db2.gz WLWQSLYYGDEGMY-OAHLLOKOSA-N 0 3 311.429 2.720 20 10 DFCDHN CCOCCN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000111164863 426037340 /nfs/dbraw/zinc/03/73/40/426037340.db2.gz WHHDBOLKPQIRLI-UHFFFAOYSA-N 0 3 314.429 2.700 20 10 DFCDHN CCn1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000112097557 426065031 /nfs/dbraw/zinc/06/50/31/426065031.db2.gz KNYQQPLBHSAOTM-OAHLLOKOSA-N 0 3 314.433 2.590 20 10 DFCDHN CN(C)c1ccc(CNC[C@](C)(O)c2ccsc2)cc1F ZINC000077460930 426134504 /nfs/dbraw/zinc/13/45/04/426134504.db2.gz BBBFQADJHDUCPA-INIZCTEOSA-N 0 3 308.422 2.951 20 10 DFCDHN CN(C)c1ccc(CNC[C@](C)(O)c2ccccc2)cc1F ZINC000114508372 426139184 /nfs/dbraw/zinc/13/91/84/426139184.db2.gz MYCHEDKDJNQLBI-SFHVURJKSA-N 0 3 302.393 2.889 20 10 DFCDHN COc1ccc(N2CCN(CCCCCCO)CC2)cc1F ZINC000084866972 426246300 /nfs/dbraw/zinc/24/63/00/426246300.db2.gz MHCTXXKHPYGWFI-UHFFFAOYSA-N 0 3 310.413 2.509 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2cnccn2)CC1 ZINC000119618699 426299659 /nfs/dbraw/zinc/29/96/59/426299659.db2.gz VBJQFZAXVPWLOH-UHFFFAOYSA-N 0 3 320.396 2.658 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000089638293 426300190 /nfs/dbraw/zinc/30/01/90/426300190.db2.gz TVFGPJAZDURHTF-KBPBESRZSA-N 0 3 312.479 2.617 20 10 DFCDHN COc1ccc(O)c(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000089726465 426304252 /nfs/dbraw/zinc/30/42/52/426304252.db2.gz LVRZSMJFLMZWBI-YTEVENLXSA-N 0 3 319.426 2.989 20 10 DFCDHN CC[C@@H](N[C@H]1CCN(C(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000089728994 426304764 /nfs/dbraw/zinc/30/47/64/426304764.db2.gz XGQSWJBZYWGSFF-SJORKVTESA-N 0 3 303.450 2.803 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121270985 426330472 /nfs/dbraw/zinc/33/04/72/426330472.db2.gz NZUPOLAZZWBOMI-CYBMUJFWSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121270985 426330477 /nfs/dbraw/zinc/33/04/77/426330477.db2.gz NZUPOLAZZWBOMI-CYBMUJFWSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000176980867 426431451 /nfs/dbraw/zinc/43/14/51/426431451.db2.gz PBCINUJJBSZQJT-NSHDSACASA-N 0 3 310.369 2.803 20 10 DFCDHN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cnn(C)c1 ZINC000155313244 426469237 /nfs/dbraw/zinc/46/92/37/426469237.db2.gz CRGVHCUKJXRJHK-GJZGRUSLSA-N 0 3 314.433 2.669 20 10 DFCDHN CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000195194790 426506704 /nfs/dbraw/zinc/50/67/04/426506704.db2.gz WXVFOKORXSBIQB-GOSISDBHSA-N 0 3 321.417 2.812 20 10 DFCDHN CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000195194790 426506709 /nfs/dbraw/zinc/50/67/09/426506709.db2.gz WXVFOKORXSBIQB-GOSISDBHSA-N 0 3 321.417 2.812 20 10 DFCDHN C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000177876207 426533223 /nfs/dbraw/zinc/53/32/23/426533223.db2.gz WEGBWPIMMCWHHM-CRAIPNDOSA-N 0 3 315.461 2.996 20 10 DFCDHN CS(=O)(=O)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000264392323 426545991 /nfs/dbraw/zinc/54/59/91/426545991.db2.gz SEMWVGRRNJIHJT-UHFFFAOYSA-N 0 3 319.426 2.584 20 10 DFCDHN C[C@@H](O)CCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280092920 426502865 /nfs/dbraw/zinc/50/28/65/426502865.db2.gz AVDXHTDEFUTMEO-LLVKDONJSA-N 0 3 304.356 2.974 20 10 DFCDHN CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(C)cc1[O-] ZINC000280101583 426503132 /nfs/dbraw/zinc/50/31/32/426503132.db2.gz NDOPRFHEJPAEAT-INIZCTEOSA-N 0 3 306.450 2.852 20 10 DFCDHN CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(C)cc1[O-] ZINC000280026717 426504053 /nfs/dbraw/zinc/50/40/53/426504053.db2.gz HTUZQSHMVRLFLX-AWEZNQCLSA-N 0 3 302.374 2.764 20 10 DFCDHN CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000224065887 426592061 /nfs/dbraw/zinc/59/20/61/426592061.db2.gz HFFMYSQIBUXALW-CQSZACIVSA-N 0 3 306.406 2.881 20 10 DFCDHN C[C@@H](NCCC(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178292427 426600080 /nfs/dbraw/zinc/60/00/80/426600080.db2.gz ZNLBLNBNLWQUQU-CQSZACIVSA-N 0 3 321.440 2.945 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)CN2CCCC2=O)cc1 ZINC000178491737 426641169 /nfs/dbraw/zinc/64/11/69/426641169.db2.gz JWTVOGKTPNPCPQ-GJZGRUSLSA-N 0 3 303.450 2.804 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289897875 426677022 /nfs/dbraw/zinc/67/70/22/426677022.db2.gz WRFPQRLLDVYBOL-OLZOCXBDSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289897875 426677025 /nfs/dbraw/zinc/67/70/25/426677025.db2.gz WRFPQRLLDVYBOL-OLZOCXBDSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289897875 426677028 /nfs/dbraw/zinc/67/70/28/426677028.db2.gz WRFPQRLLDVYBOL-OLZOCXBDSA-N 0 3 303.324 2.693 20 10 DFCDHN CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000289992625 426679550 /nfs/dbraw/zinc/67/95/50/426679550.db2.gz CHZAJEGEFWYKEY-HNNXBMFYSA-N 0 3 306.406 2.720 20 10 DFCDHN CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000289992625 426679554 /nfs/dbraw/zinc/67/95/54/426679554.db2.gz CHZAJEGEFWYKEY-HNNXBMFYSA-N 0 3 306.406 2.720 20 10 DFCDHN CNC(=O)OC[C@@H]1CCCCN1Cc1cc(C)c(C)cc1O ZINC000289992625 426679556 /nfs/dbraw/zinc/67/95/56/426679556.db2.gz CHZAJEGEFWYKEY-HNNXBMFYSA-N 0 3 306.406 2.720 20 10 DFCDHN CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000289992629 426679766 /nfs/dbraw/zinc/67/97/66/426679766.db2.gz CHZAJEGEFWYKEY-OAHLLOKOSA-N 0 3 306.406 2.720 20 10 DFCDHN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000289992629 426679769 /nfs/dbraw/zinc/67/97/69/426679769.db2.gz CHZAJEGEFWYKEY-OAHLLOKOSA-N 0 3 306.406 2.720 20 10 DFCDHN CNC(=O)OC[C@H]1CCCCN1Cc1cc(C)c(C)cc1O ZINC000289992629 426679775 /nfs/dbraw/zinc/67/97/75/426679775.db2.gz CHZAJEGEFWYKEY-OAHLLOKOSA-N 0 3 306.406 2.720 20 10 DFCDHN Cc1cccc(C[N@H+](C)CCn2cc(Br)cn2)c1[O-] ZINC000290195257 426714572 /nfs/dbraw/zinc/71/45/72/426714572.db2.gz PAXLPSIKXSRXSJ-UHFFFAOYSA-N 0 3 324.222 2.792 20 10 DFCDHN Cc1cccc(C[N@@H+](C)CCn2cc(Br)cn2)c1[O-] ZINC000290195257 426714574 /nfs/dbraw/zinc/71/45/74/426714574.db2.gz PAXLPSIKXSRXSJ-UHFFFAOYSA-N 0 3 324.222 2.792 20 10 DFCDHN Cc1cccc(CN(C)CCn2cc(Br)cn2)c1O ZINC000290195257 426714578 /nfs/dbraw/zinc/71/45/78/426714578.db2.gz PAXLPSIKXSRXSJ-UHFFFAOYSA-N 0 3 324.222 2.792 20 10 DFCDHN CCOc1cccc(CN2CCCC[C@@H]2COC(=O)NC)c1O ZINC000290226097 426720942 /nfs/dbraw/zinc/72/09/42/426720942.db2.gz SGZYLPWUJNVIQJ-CQSZACIVSA-N 0 3 322.405 2.501 20 10 DFCDHN C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000281027555 426700602 /nfs/dbraw/zinc/70/06/02/426700602.db2.gz ZWGXJGRIZAXMQY-IAOVAPTHSA-N 0 3 319.445 2.567 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@@H]3CCCC[C@H]31)OCO2 ZINC000245901813 426781072 /nfs/dbraw/zinc/78/10/72/426781072.db2.gz SNTOVOZJLJFOFC-MLGOLLRUSA-N 0 3 307.415 2.981 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@@H]3CCCC[C@H]31)OCO2 ZINC000245901813 426781076 /nfs/dbraw/zinc/78/10/76/426781076.db2.gz SNTOVOZJLJFOFC-MLGOLLRUSA-N 0 3 307.415 2.981 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[O-] ZINC000290298830 426737254 /nfs/dbraw/zinc/73/72/54/426737254.db2.gz BBFBNRCSAOQPGF-IUODEOHRSA-N 0 3 324.852 2.970 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1[O-] ZINC000290298830 426737258 /nfs/dbraw/zinc/73/72/58/426737258.db2.gz BBFBNRCSAOQPGF-IUODEOHRSA-N 0 3 324.852 2.970 20 10 DFCDHN COc1ccc(O)c(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 ZINC000281670638 426740557 /nfs/dbraw/zinc/74/05/57/426740557.db2.gz DHZNRATZMWKJFC-WBVHZDCISA-N 0 3 317.360 2.848 20 10 DFCDHN COc1ccc(O)c(CN(C)C[C@@H]2COc3ccccc3O2)c1 ZINC000179572108 426802022 /nfs/dbraw/zinc/80/20/22/426802022.db2.gz USFJKYXLGYUAJG-OAHLLOKOSA-N 0 3 315.369 2.673 20 10 DFCDHN OCCO[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000179571064 426802289 /nfs/dbraw/zinc/80/22/89/426802289.db2.gz FNONMZWDDUPGSX-LJQANCHMSA-N 0 3 318.461 2.650 20 10 DFCDHN COCC[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282145224 426836963 /nfs/dbraw/zinc/83/69/63/426836963.db2.gz HIILPRMRLQMIBC-KRWDZBQOSA-N 0 3 301.386 2.546 20 10 DFCDHN Cc1cccc(C[NH2+][C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c1[O-] ZINC000295177790 426851921 /nfs/dbraw/zinc/85/19/21/426851921.db2.gz VEIUBOJDMMCEGO-FICVDOATSA-N 0 3 318.417 2.656 20 10 DFCDHN COCCn1cc(CN[C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000282761570 426924437 /nfs/dbraw/zinc/92/44/37/426924437.db2.gz OHEUXSROZGAYLJ-CQSZACIVSA-N 0 3 303.406 2.703 20 10 DFCDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]1[C@@H]1CCCO1 ZINC000291001085 426872006 /nfs/dbraw/zinc/87/20/06/426872006.db2.gz AVKRFDLPXCENDD-XJKSGUPXSA-N 0 3 305.374 2.510 20 10 DFCDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]1[C@H]1CCCO1 ZINC000291001083 426872776 /nfs/dbraw/zinc/87/27/76/426872776.db2.gz AVKRFDLPXCENDD-CZUORRHYSA-N 0 3 305.374 2.510 20 10 DFCDHN C[S@@](=O)C1(CNCc2ccc(N3CCCCC3)cc2)CC1 ZINC000282292716 426873409 /nfs/dbraw/zinc/87/34/09/426873409.db2.gz JEANFCZFBJJEEF-OAQYLSRUSA-N 0 3 306.475 2.678 20 10 DFCDHN CCN(CC)c1ccc(CNC(=O)CC2CCN(C)CC2)cc1 ZINC000291393420 426882695 /nfs/dbraw/zinc/88/26/95/426882695.db2.gz CPXJILSSJXCKIM-UHFFFAOYSA-N 0 3 317.477 2.881 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000291460557 426885257 /nfs/dbraw/zinc/88/52/57/426885257.db2.gz DCGQIAXUVPHICM-WMZOPIPTSA-N 0 3 301.361 2.787 20 10 DFCDHN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1[O-] ZINC000283206410 426974318 /nfs/dbraw/zinc/97/43/18/426974318.db2.gz LTIIIOAABZBPRA-VBQJREDUSA-N 0 3 305.418 2.611 20 10 DFCDHN O=C1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCCN1C1CCCCC1 ZINC000276713507 427116903 /nfs/dbraw/zinc/11/69/03/427116903.db2.gz HABFVVPXHKRTNZ-MRXNPFEDSA-N 0 3 320.408 2.945 20 10 DFCDHN O=C1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCCN1C1CCCCC1 ZINC000276713503 427118531 /nfs/dbraw/zinc/11/85/31/427118531.db2.gz HABFVVPXHKRTNZ-INIZCTEOSA-N 0 3 320.408 2.945 20 10 DFCDHN Oc1cc2c(cc1CN1CC[C@H](CC(F)(F)F)C1)OCO2 ZINC000277376619 427184318 /nfs/dbraw/zinc/18/43/18/427184318.db2.gz AULVQYHJPQGXGR-SECBINFHSA-N 0 3 303.280 2.895 20 10 DFCDHN CCC[C@H](C)C(=O)NCCNCc1ccc(N(C)C)c(F)c1 ZINC000292626783 427195030 /nfs/dbraw/zinc/19/50/30/427195030.db2.gz JFTMBKCUMBRHON-ZDUSSCGKSA-N 0 3 309.429 2.534 20 10 DFCDHN C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183498061 427281751 /nfs/dbraw/zinc/28/17/51/427281751.db2.gz FFZJNQZDQCDMEF-NWDGAFQWSA-N 0 3 323.339 2.761 20 10 DFCDHN CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC000183654167 427311438 /nfs/dbraw/zinc/31/14/38/427311438.db2.gz LFOGSZXXQASFAO-OLZOCXBDSA-N 0 3 300.406 2.773 20 10 DFCDHN C[C@H](CN1CCOCC1)[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000278727178 427448715 /nfs/dbraw/zinc/44/87/15/427448715.db2.gz LDBKNSQQENXAPH-OAHLLOKOSA-N 0 3 314.429 2.698 20 10 DFCDHN C[C@H](CN1CCOCC1)[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000278727178 427448725 /nfs/dbraw/zinc/44/87/25/427448725.db2.gz LDBKNSQQENXAPH-OAHLLOKOSA-N 0 3 314.429 2.698 20 10 DFCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000293756565 427427385 /nfs/dbraw/zinc/42/73/85/427427385.db2.gz QVTIPKNJPDABPR-QWHCGFSZSA-N 0 3 308.422 2.604 20 10 DFCDHN CCOc1cccc(CN2CC[C@@H](Oc3ccccn3)C2)c1O ZINC000271166366 427429240 /nfs/dbraw/zinc/42/92/40/427429240.db2.gz CDBHNDGAAKFRGE-OAHLLOKOSA-N 0 3 314.385 2.839 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000271170801 427432431 /nfs/dbraw/zinc/43/24/31/427432431.db2.gz FAPOKCGOEDLCPO-YJBOKZPZSA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000271170801 427432433 /nfs/dbraw/zinc/43/24/33/427432433.db2.gz FAPOKCGOEDLCPO-YJBOKZPZSA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1ccc(O)c(CN2CC[C@H](Oc3ccccn3)C2)c1 ZINC000271183597 427436589 /nfs/dbraw/zinc/43/65/89/427436589.db2.gz LINJAQOYBBYDLF-INIZCTEOSA-N 0 3 314.385 2.839 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC(C3(C)OCCO3)CC2)c1[O-] ZINC000271191744 427442915 /nfs/dbraw/zinc/44/29/15/427442915.db2.gz QANLHRXSEUMDCZ-UHFFFAOYSA-N 0 3 321.417 2.766 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1)c1cc(F)ccc1[O-] ZINC000278938137 427508030 /nfs/dbraw/zinc/50/80/30/427508030.db2.gz JZAPTYOYSYIMST-XTQGRXLLSA-N 0 3 319.380 2.836 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1[O-] ZINC000184701107 427522043 /nfs/dbraw/zinc/52/20/43/427522043.db2.gz RVXPWEQOTGBJHE-ZDUSSCGKSA-N 0 3 301.814 2.893 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1[O-] ZINC000184701107 427522050 /nfs/dbraw/zinc/52/20/50/427522050.db2.gz RVXPWEQOTGBJHE-ZDUSSCGKSA-N 0 3 301.814 2.893 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c1 ZINC000279004374 427527246 /nfs/dbraw/zinc/52/72/46/427527246.db2.gz RYPIXGRFMZCPBL-STQMWFEESA-N 0 3 301.390 2.511 20 10 DFCDHN CC(C)[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000184915930 427564210 /nfs/dbraw/zinc/56/42/10/427564210.db2.gz OWMLXCBOXRKMKG-CJNGLKHVSA-N 0 3 310.413 2.539 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2cn3ccccc3n2)c1 ZINC000184969591 427572096 /nfs/dbraw/zinc/57/20/96/427572096.db2.gz IBZZENRFRZQINH-ZDUSSCGKSA-N 0 3 311.385 2.942 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1OC ZINC000271765126 427582995 /nfs/dbraw/zinc/58/29/95/427582995.db2.gz AHCDVGBJJUOMNL-ZFWWWQNUSA-N 0 3 309.406 2.703 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000271771981 427585964 /nfs/dbraw/zinc/58/59/64/427585964.db2.gz DJJKQTCMKAQFAG-APPDUMDISA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1[O-] ZINC000271873146 427591840 /nfs/dbraw/zinc/59/18/40/427591840.db2.gz YMBCKVQFABSRCZ-GHMZBOCLSA-N 0 3 314.223 2.978 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)c1 ZINC000185097694 427594677 /nfs/dbraw/zinc/59/46/77/427594677.db2.gz OOSIRJQFDGPZKR-SJCJKPOMSA-N 0 3 317.385 2.794 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc3c(c2)OCO3)c1 ZINC000192918426 427636294 /nfs/dbraw/zinc/63/62/94/427636294.db2.gz HDZKZSNXHAJGLN-LLVKDONJSA-N 0 3 301.342 2.980 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000192918426 427636298 /nfs/dbraw/zinc/63/62/98/427636298.db2.gz HDZKZSNXHAJGLN-LLVKDONJSA-N 0 3 301.342 2.980 20 10 DFCDHN COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185419964 427647276 /nfs/dbraw/zinc/64/72/76/427647276.db2.gz DDQHJVCQGPJVKQ-DIFFPNOSSA-N 0 3 305.349 2.924 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000185502697 427663585 /nfs/dbraw/zinc/66/35/85/427663585.db2.gz FVTWFQNSOJRBHE-SWLSCSKDSA-N 0 3 302.418 2.542 20 10 DFCDHN COc1ccc(CNC2(C(=O)N(C)C)CCCCC2)cc1C ZINC000295041878 427668964 /nfs/dbraw/zinc/66/89/64/427668964.db2.gz OTLMPARBMUYVGF-UHFFFAOYSA-N 0 3 304.434 2.884 20 10 DFCDHN CC(C)COC[C@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298723258 427686552 /nfs/dbraw/zinc/68/65/52/427686552.db2.gz LVWMWOAZYBZHGJ-LJQANCHMSA-N 0 3 320.477 2.751 20 10 DFCDHN CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000279673909 427716241 /nfs/dbraw/zinc/71/62/41/427716241.db2.gz IBUPRPWMJHZKDF-CYBMUJFWSA-N 0 3 310.825 2.702 20 10 DFCDHN CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000370073881 428128975 /nfs/dbraw/zinc/12/89/75/428128975.db2.gz ROWUJXJOANKPKT-GFCCVEGCSA-N 0 3 304.369 2.522 20 10 DFCDHN CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000370073881 428128976 /nfs/dbraw/zinc/12/89/76/428128976.db2.gz ROWUJXJOANKPKT-GFCCVEGCSA-N 0 3 304.369 2.522 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(CN3CCCC3=O)CC2)c1 ZINC000371331954 428382410 /nfs/dbraw/zinc/38/24/10/428382410.db2.gz LZZLMSHNIQLTLS-UHFFFAOYSA-N 0 3 302.418 2.535 20 10 DFCDHN Oc1cc2c(cc1CN1CCC[C@@H](OCC3CC3)C1)OCO2 ZINC000372491899 428455655 /nfs/dbraw/zinc/45/56/55/428455655.db2.gz PXECQUYGLLPDEL-CQSZACIVSA-N 0 3 305.374 2.512 20 10 DFCDHN O=C(Nc1nccs1)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000372972474 428508260 /nfs/dbraw/zinc/50/82/60/428508260.db2.gz HJQCIHVQGBBVGF-ZDUSSCGKSA-N 0 3 317.414 2.699 20 10 DFCDHN O=C(Nc1nccs1)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000372972474 428508262 /nfs/dbraw/zinc/50/82/62/428508262.db2.gz HJQCIHVQGBBVGF-ZDUSSCGKSA-N 0 3 317.414 2.699 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1[O-] ZINC000372969825 428508587 /nfs/dbraw/zinc/50/85/87/428508587.db2.gz OPAOPRBXRWZCMO-AWEZNQCLSA-N 0 3 312.841 2.970 20 10 DFCDHN Oc1cc2c(cc1CN1CC[C@@H](Oc3ccccc3)C1)OCO2 ZINC000361524284 428573259 /nfs/dbraw/zinc/57/32/59/428573259.db2.gz BXGIAAFKQSWMKV-OAHLLOKOSA-N 0 3 313.353 2.774 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccccc3)C1)OCO2 ZINC000361524284 428573263 /nfs/dbraw/zinc/57/32/63/428573263.db2.gz BXGIAAFKQSWMKV-OAHLLOKOSA-N 0 3 313.353 2.774 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](Oc3ccccc3)C1)OCO2 ZINC000361524284 428573269 /nfs/dbraw/zinc/57/32/69/428573269.db2.gz BXGIAAFKQSWMKV-OAHLLOKOSA-N 0 3 313.353 2.774 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c([O-])c1 ZINC000374269988 428672087 /nfs/dbraw/zinc/67/20/87/428672087.db2.gz PDTDHXYDBBJJGZ-CRAIPNDOSA-N 0 3 321.417 2.609 20 10 DFCDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CN1c1ccccc1Cl ZINC000363618012 428954534 /nfs/dbraw/zinc/95/45/34/428954534.db2.gz NGGSGOVVCNEWJG-ZDUSSCGKSA-N 0 3 316.788 2.941 20 10 DFCDHN Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C2 ZINC000363854789 429000353 /nfs/dbraw/zinc/00/03/53/429000353.db2.gz ADVIEVZWWLQCIP-YGRLFVJLSA-N 0 3 301.365 2.838 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccccc1[O-] ZINC000376521502 429128393 /nfs/dbraw/zinc/12/83/93/429128393.db2.gz RXNILGKBMWNDCU-JKSUJKDBSA-N 0 3 315.417 2.699 20 10 DFCDHN O=C(c1ccsc1)N1CCCN(Cc2ccccc2O)CC1 ZINC000179561899 275015004 /nfs/dbraw/zinc/01/50/04/275015004.db2.gz TTXKMCLPTMXQAG-UHFFFAOYSA-N 0 3 316.426 2.802 20 10 DFCDHN COc1cc(O)c(CN2CCC[C@H](OCC3CC3)C2)cc1OC ZINC000364478353 429210898 /nfs/dbraw/zinc/21/08/98/429210898.db2.gz USDTVOSZECKJOZ-HNNXBMFYSA-N 0 3 321.417 2.800 20 10 DFCDHN Cc1cccc2ncc(CNCc3ccc4c(c3)CCN4C)n21 ZINC000364443274 429204555 /nfs/dbraw/zinc/20/45/55/429204555.db2.gz JXHMZTBMYPLHIH-UHFFFAOYSA-N 0 3 306.413 2.925 20 10 DFCDHN CCN(CC)c1ccc(CN(C)[C@H]2CCCCNC2=O)cc1 ZINC000365540799 429337979 /nfs/dbraw/zinc/33/79/79/429337979.db2.gz SFYOAMJVBXYWBO-KRWDZBQOSA-N 0 3 303.450 2.633 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000367307230 429616307 /nfs/dbraw/zinc/61/63/07/429616307.db2.gz GAAZRUWWIFFDLJ-INIZCTEOSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000367307230 429616310 /nfs/dbraw/zinc/61/63/10/429616310.db2.gz GAAZRUWWIFFDLJ-INIZCTEOSA-N 0 3 302.418 2.788 20 10 DFCDHN O=C(C=Cc1c[nH]cn1)N(CCN1CCCC1)c1ccccc1 ZINC000492871289 429634675 /nfs/dbraw/zinc/63/46/75/429634675.db2.gz XFLZSWUUNBLNHE-CMDGGOBGSA-N 0 3 310.401 2.552 20 10 DFCDHN CCCC(=O)N1CCCN(Cc2cc(OCC)ccc2O)CC1 ZINC000367466996 429654634 /nfs/dbraw/zinc/65/46/34/429654634.db2.gz GHZGBZPEIJXKPN-UHFFFAOYSA-N 0 3 320.433 2.625 20 10 DFCDHN COc1ccc(CNc2ccncc2-c2cccnc2)c(O)c1 ZINC000367813008 429721522 /nfs/dbraw/zinc/72/15/22/429721522.db2.gz LJNWJLWUMDKJSS-UHFFFAOYSA-N 0 3 307.353 2.892 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000368024777 429769945 /nfs/dbraw/zinc/76/99/45/429769945.db2.gz UUYUGMSWJJWERW-OJLVUWQFSA-N 0 3 302.418 2.962 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000368024777 429769950 /nfs/dbraw/zinc/76/99/50/429769950.db2.gz UUYUGMSWJJWERW-OJLVUWQFSA-N 0 3 302.418 2.962 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000368047058 429774660 /nfs/dbraw/zinc/77/46/60/429774660.db2.gz ZRBFJYXDPQUNKD-DEYYWGMASA-N 0 3 321.417 2.732 20 10 DFCDHN COc1cccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)c1[O-] ZINC000527752639 429792704 /nfs/dbraw/zinc/79/27/04/429792704.db2.gz PTULPTODQFESPD-MRXNPFEDSA-N 0 3 304.434 2.897 20 10 DFCDHN CCn1nncc1CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000527920710 429821713 /nfs/dbraw/zinc/82/17/13/429821713.db2.gz RAJBGRIHNWCZBT-LBPRGKRZSA-N 0 3 300.406 2.733 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1)c1ccccc1[O-] ZINC000368408314 429844908 /nfs/dbraw/zinc/84/49/08/429844908.db2.gz WPGMKYFVPSZWHP-SZMVWBNQSA-N 0 3 318.461 2.934 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCN(C2CCOCC2)CC1 ZINC000368820008 429896885 /nfs/dbraw/zinc/89/68/85/429896885.db2.gz ZYGHHOFPICDMHD-KRWDZBQOSA-N 0 3 304.434 2.640 20 10 DFCDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1C ZINC000369082048 429910918 /nfs/dbraw/zinc/91/09/18/429910918.db2.gz DDXVTVAWGNKPLQ-CRAIPNDOSA-N 0 3 305.418 2.779 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@@H](c3nccn3C)C2)cc1F ZINC000368596070 429875801 /nfs/dbraw/zinc/87/58/01/429875801.db2.gz ZLIRPHIBGGIQRT-CQSZACIVSA-N 0 3 302.397 2.615 20 10 DFCDHN C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3cccc([O-])c32)C[C@@H](C)O1 ZINC000297869527 278747501 /nfs/dbraw/zinc/74/75/01/278747501.db2.gz UNQYCRSJSOGMKH-INMHGKMJSA-N 0 3 318.461 2.859 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@H]2CCN2C2CCCC2)c1[O-] ZINC000527805740 300693974 /nfs/dbraw/zinc/69/39/74/300693974.db2.gz HKVCKPCFPDLGIC-MRXNPFEDSA-N 0 3 304.434 2.897 20 10 DFCDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc2c(c1)CCCN2C ZINC000122952859 332416411 /nfs/dbraw/zinc/41/64/11/332416411.db2.gz PCEXYEGAZHTLCM-OAHLLOKOSA-N 0 3 317.477 2.806 20 10 DFCDHN CN(C)c1ccc(CN[C@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000293604446 335110303 /nfs/dbraw/zinc/11/03/03/335110303.db2.gz JNEOGYXSJFQZFU-GOSISDBHSA-N 0 3 313.445 2.997 20 10 DFCDHN CN1C[C@@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1=O ZINC000293758188 335113094 /nfs/dbraw/zinc/11/30/94/335113094.db2.gz OSGZLBXIRZQGEY-FUHWJXTLSA-N 0 3 324.424 2.886 20 10 DFCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(N)CCC1 ZINC000294892572 332733872 /nfs/dbraw/zinc/73/38/72/332733872.db2.gz YOCKPAKRRSNLTJ-UHFFFAOYSA-N 0 3 301.434 2.517 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000182335596 333038209 /nfs/dbraw/zinc/03/82/09/333038209.db2.gz FUKFPQYSZVMHLL-LLVKDONJSA-N 0 3 310.394 2.576 20 10 DFCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H](O)C(F)F ZINC000295083830 335131980 /nfs/dbraw/zinc/13/19/80/335131980.db2.gz QSZQQDAXANZDBI-SKDRFNHKSA-N 0 3 309.740 2.548 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190299224 333269485 /nfs/dbraw/zinc/26/94/85/333269485.db2.gz AZRKOBSNJUZSKK-HOTGVXAUSA-N 0 3 303.427 2.970 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190299224 333269487 /nfs/dbraw/zinc/26/94/87/333269487.db2.gz AZRKOBSNJUZSKK-HOTGVXAUSA-N 0 3 303.427 2.970 20 10 DFCDHN CCOc1cccc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1[O-] ZINC000295134328 335132318 /nfs/dbraw/zinc/13/23/18/335132318.db2.gz YWSBXSVQUFUVHD-UHFFFAOYSA-N 0 3 320.433 2.672 20 10 DFCDHN CCOc1cccc(CNC2(C(=O)N(C)C)CCCCC2)c1O ZINC000295134328 335132319 /nfs/dbraw/zinc/13/23/19/335132319.db2.gz YWSBXSVQUFUVHD-UHFFFAOYSA-N 0 3 320.433 2.672 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000295160611 335132827 /nfs/dbraw/zinc/13/28/27/335132827.db2.gz SERPOORNKKUJQL-INIZCTEOSA-N 0 3 319.376 2.623 20 10 DFCDHN COC1CCN(c2ccc(CN3C[C@@H](O)C(C)(C)C3)cc2)CC1 ZINC000295863067 335140042 /nfs/dbraw/zinc/14/00/42/335140042.db2.gz CBPRFCOOTOHGEW-GOSISDBHSA-N 0 3 318.461 2.505 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)CC2 ZINC000296177045 335142337 /nfs/dbraw/zinc/14/23/37/335142337.db2.gz XXFSHTXFODMZMX-ZBFHGGJFSA-N 0 3 317.360 2.548 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccc(C)cc1[O-] ZINC000297305388 335152677 /nfs/dbraw/zinc/15/26/77/335152677.db2.gz MOUFCOGMIGWWEI-NVXWUHKLSA-N 0 3 306.450 2.588 20 10 DFCDHN CCOc1cccc(C[N@H+](C)CCCn2ccnc2C)c1[O-] ZINC000290477793 334172999 /nfs/dbraw/zinc/17/29/99/334172999.db2.gz NWPGFKGAPFCUMW-UHFFFAOYSA-N 0 3 303.406 2.818 20 10 DFCDHN CCOc1cccc(C[N@@H+](C)CCCn2ccnc2C)c1[O-] ZINC000290477793 334173000 /nfs/dbraw/zinc/17/30/00/334173000.db2.gz NWPGFKGAPFCUMW-UHFFFAOYSA-N 0 3 303.406 2.818 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000167908877 336278839 /nfs/dbraw/zinc/27/88/39/336278839.db2.gz LPGXAPACLKEDSP-JKSUJKDBSA-N 0 3 324.852 2.779 20 10 DFCDHN CN(C)c1ccc(CN2CCC(CN3CCCC3=O)CC2)cc1 ZINC000362382276 336794545 /nfs/dbraw/zinc/79/45/45/336794545.db2.gz RTKWTLVOUGDGJW-UHFFFAOYSA-N 0 3 315.461 2.587 20 10 DFCDHN CN(C)c1ccc(CN2CCC(c3c[nH]cn3)CC2)cc1F ZINC000371336901 336901028 /nfs/dbraw/zinc/90/10/28/336901028.db2.gz RFCRKBDHLQAVOT-UHFFFAOYSA-N 0 3 302.397 2.994 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c([O-])c1 ZINC000371835314 336914316 /nfs/dbraw/zinc/91/43/16/336914316.db2.gz RZDXACKOPBYYTF-CGTJXYLNSA-N 0 3 318.461 2.995 20 10 DFCDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncs2)C1 ZINC000374137921 336982083 /nfs/dbraw/zinc/98/20/83/336982083.db2.gz KVHWTGNIQRXOPW-HSBSLETESA-N 0 3 313.426 2.676 20 10 DFCDHN COCCn1ncc2c1[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CCC2 ZINC000375198503 337005724 /nfs/dbraw/zinc/00/57/24/337005724.db2.gz WXESNOGDAHJSDV-XJKSGUPXSA-N 0 3 315.417 2.963 20 10 DFCDHN CN1CCc2cc(CN[C@@]3(CO)CCc4ccccc43)ccc21 ZINC000305197582 337018309 /nfs/dbraw/zinc/01/83/09/337018309.db2.gz JIILYNHSIFPBJY-HXUWFJFHSA-N 0 3 308.425 2.603 20 10 DFCDHN Cc1cccc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000375742077 337018489 /nfs/dbraw/zinc/01/84/89/337018489.db2.gz LBCRFBGPTAIOHZ-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1cccc(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000375742077 337018490 /nfs/dbraw/zinc/01/84/90/337018490.db2.gz LBCRFBGPTAIOHZ-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000377890306 337063457 /nfs/dbraw/zinc/06/34/57/337063457.db2.gz UHOAJCVYECQBEK-OLZOCXBDSA-N 0 3 301.390 2.685 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000377890306 337063458 /nfs/dbraw/zinc/06/34/58/337063458.db2.gz UHOAJCVYECQBEK-OLZOCXBDSA-N 0 3 301.390 2.685 20 10 DFCDHN COc1ccc(O)c(CN(C)[C@@H]2CCCc3c2cnn3C)c1 ZINC000180640813 337176731 /nfs/dbraw/zinc/17/67/31/337176731.db2.gz TXRDUDDFHYNGMU-OAHLLOKOSA-N 0 3 301.390 2.644 20 10 DFCDHN CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC000183597426 337193684 /nfs/dbraw/zinc/19/36/84/337193684.db2.gz PBFXYBGNTCOXBW-STQMWFEESA-N 0 3 300.406 2.773 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c([O-])c1 ZINC000185025653 337201440 /nfs/dbraw/zinc/20/14/40/337201440.db2.gz QFFLRDBHEWULEK-CYBMUJFWSA-N 0 3 309.373 2.527 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)c1 ZINC000184955546 337201976 /nfs/dbraw/zinc/20/19/76/337201976.db2.gz AZSYYOKOPGAVMP-AWEZNQCLSA-N 0 3 314.433 2.912 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCN2c2cccnn2)c1 ZINC000359961889 337441025 /nfs/dbraw/zinc/44/10/25/337441025.db2.gz UESYVALMKVAVMQ-GJZGRUSLSA-N 0 3 312.417 2.810 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCN1C1CCCCC1)OCO2 ZINC000527750306 337761422 /nfs/dbraw/zinc/76/14/22/337761422.db2.gz APEPSHIURFNRBG-HNNXBMFYSA-N 0 3 318.417 2.618 20 10 DFCDHN CC(C)[C@@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000269109500 341606991 /nfs/dbraw/zinc/60/69/91/341606991.db2.gz NGVLZNFCJKLGBQ-QGZVFWFLSA-N 0 3 303.450 2.619 20 10 DFCDHN O=C1C[C@@H]([NH2+]Cc2c([O-])ccc3ccccc32)[C@@H]2CCCCN12 ZINC000369225055 501078495 /nfs/dbraw/zinc/07/84/95/501078495.db2.gz NFOYAUFCHNSJTE-SJORKVTESA-N 0 3 310.397 2.788 20 10 DFCDHN CC(C)N1CC[C@@H](N[C@@H](C)c2cc3c(cc2O)CCCC3)C1=O ZINC000186048381 519687570 /nfs/dbraw/zinc/68/75/70/519687570.db2.gz OQDYMFQWABEXEC-SUMWQHHRSA-N 0 3 316.445 2.931 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@@H](CC)[C@H](O)C(F)(F)F)c([O-])c1 ZINC000270773236 520370851 /nfs/dbraw/zinc/37/08/51/520370851.db2.gz ARVNJDYZNOEBDH-JSGCOSHPSA-N 0 3 321.339 2.972 20 10 DFCDHN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180019286 520660485 /nfs/dbraw/zinc/66/04/85/520660485.db2.gz BBWZIIIYBQSSHN-CYBMUJFWSA-N 0 3 308.397 2.660 20 10 DFCDHN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180019286 520660498 /nfs/dbraw/zinc/66/04/98/520660498.db2.gz BBWZIIIYBQSSHN-CYBMUJFWSA-N 0 3 308.397 2.660 20 10 DFCDHN CCOc1ccc(O)c(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000179964183 521145629 /nfs/dbraw/zinc/14/56/29/521145629.db2.gz SVVLDAGPTVYFOF-ZDUSSCGKSA-N 0 3 321.417 2.955 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000179964183 521145638 /nfs/dbraw/zinc/14/56/38/521145638.db2.gz SVVLDAGPTVYFOF-ZDUSSCGKSA-N 0 3 321.417 2.955 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000179964183 521145645 /nfs/dbraw/zinc/14/56/45/521145645.db2.gz SVVLDAGPTVYFOF-ZDUSSCGKSA-N 0 3 321.417 2.955 20 10 DFCDHN C[NH+](C)[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000156071428 522099047 /nfs/dbraw/zinc/09/90/47/522099047.db2.gz SXBCKUJYWRTDMA-ZDUSSCGKSA-N 0 3 313.239 2.681 20 10 DFCDHN CN(C)c1ccc(CN(C(=O)C2CCN(C)CC2)C2CC2)cc1 ZINC000266841371 522160855 /nfs/dbraw/zinc/16/08/55/522160855.db2.gz PESFFCDIZJGWLK-UHFFFAOYSA-N 0 3 315.461 2.585 20 10 DFCDHN COc1cc([O-])c(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000190174123 522772274 /nfs/dbraw/zinc/77/22/74/522772274.db2.gz PGHPYYMLXKLZSA-INIZCTEOSA-N 0 3 321.417 2.800 20 10 DFCDHN COc1cc(O)c(CN2CCC([C@@H]3CCCO3)CC2)cc1OC ZINC000190174123 522772284 /nfs/dbraw/zinc/77/22/84/522772284.db2.gz PGHPYYMLXKLZSA-INIZCTEOSA-N 0 3 321.417 2.800 20 10 DFCDHN CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000155895254 522813844 /nfs/dbraw/zinc/81/38/44/522813844.db2.gz DITVXUYNTBRICZ-MAUKXSAKSA-N 0 3 318.461 2.934 20 10 DFCDHN COCCCOCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000181521805 523405205 /nfs/dbraw/zinc/40/52/05/523405205.db2.gz NQTQWMGDJWGTSI-UHFFFAOYSA-N 0 3 301.814 2.839 20 10 DFCDHN COCCCOCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000181521805 523405213 /nfs/dbraw/zinc/40/52/13/523405213.db2.gz NQTQWMGDJWGTSI-UHFFFAOYSA-N 0 3 301.814 2.839 20 10 DFCDHN CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000190489251 523417592 /nfs/dbraw/zinc/41/75/92/523417592.db2.gz IQSSOBIYCIIRQU-QGZVFWFLSA-N 0 3 311.429 2.741 20 10 DFCDHN CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000190489251 523417598 /nfs/dbraw/zinc/41/75/98/523417598.db2.gz IQSSOBIYCIIRQU-QGZVFWFLSA-N 0 3 311.429 2.741 20 10 DFCDHN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000191694744 523442221 /nfs/dbraw/zinc/44/22/21/523442221.db2.gz YRBKGAWKHPHYFH-UWVGGRQHSA-N 0 3 302.212 2.976 20 10 DFCDHN CO[C@@H](C)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000191636239 523444138 /nfs/dbraw/zinc/44/41/38/523444138.db2.gz WPTUJFNZHBNBFX-MJBXVCDLSA-N 0 3 310.413 2.736 20 10 DFCDHN Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000264743046 524178724 /nfs/dbraw/zinc/17/87/24/524178724.db2.gz URUPCINBBWPBML-KRWDZBQOSA-N 0 3 315.413 2.881 20 10 DFCDHN Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000264743046 524178732 /nfs/dbraw/zinc/17/87/32/524178732.db2.gz URUPCINBBWPBML-KRWDZBQOSA-N 0 3 315.413 2.881 20 10 DFCDHN Cc1ccc(CN2CC[C@H](NCc3cc(C)ccc3O)C2=O)cc1 ZINC000191801764 524474370 /nfs/dbraw/zinc/47/43/70/524474370.db2.gz FPSMEBGSZACLRG-SFHVURJKSA-N 0 3 324.424 2.900 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000182635737 524755090 /nfs/dbraw/zinc/75/50/90/524755090.db2.gz WAYNSAWMAOASHR-CZUORRHYSA-N 0 3 309.431 2.545 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000158260616 524765179 /nfs/dbraw/zinc/76/51/79/524765179.db2.gz JKDGGZNVGGDXDQ-UKRRQHHQSA-N 0 3 301.386 2.655 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c1 ZINC000185313853 524770041 /nfs/dbraw/zinc/77/00/41/524770041.db2.gz SCOQJKWOIXEUGG-LBPRGKRZSA-N 0 3 324.421 2.918 20 10 DFCDHN C[C@](O)(CNCc1ccc2c(c1)CCO2)c1ccc(F)cc1F ZINC000265171980 525180406 /nfs/dbraw/zinc/18/04/06/525180406.db2.gz USPNWFMMLMFQNC-SFHVURJKSA-N 0 3 319.351 2.897 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCCN(c3cccnn3)CC2)cc1C ZINC000156312973 525313750 /nfs/dbraw/zinc/31/37/50/525313750.db2.gz JTLFHWMKVGBYLB-UHFFFAOYSA-N 0 3 312.417 2.511 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCCN(c3cccnn3)CC2)cc1C ZINC000156312973 525313758 /nfs/dbraw/zinc/31/37/58/525313758.db2.gz JTLFHWMKVGBYLB-UHFFFAOYSA-N 0 3 312.417 2.511 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000180129424 525940146 /nfs/dbraw/zinc/94/01/46/525940146.db2.gz LFWJMFDFTUPRCM-OAHLLOKOSA-N 0 3 301.390 2.570 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1[O-] ZINC000180129424 525940156 /nfs/dbraw/zinc/94/01/56/525940156.db2.gz LFWJMFDFTUPRCM-OAHLLOKOSA-N 0 3 301.390 2.570 20 10 DFCDHN COc1cccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[O-] ZINC000190282696 525956861 /nfs/dbraw/zinc/95/68/61/525956861.db2.gz YHGHLOIFSSTMKD-GJZGRUSLSA-N 0 3 319.426 2.670 20 10 DFCDHN COc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1[O-] ZINC000190282696 525956868 /nfs/dbraw/zinc/95/68/68/525956868.db2.gz YHGHLOIFSSTMKD-GJZGRUSLSA-N 0 3 319.426 2.670 20 10 DFCDHN COc1cccc(CNCc2cccc3c2OCCCO3)c1O ZINC000114217027 526026162 /nfs/dbraw/zinc/02/61/62/526026162.db2.gz JORVYSDHXCXBRZ-UHFFFAOYSA-N 0 3 315.369 2.852 20 10 DFCDHN COc1cccc(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000365144388 526033418 /nfs/dbraw/zinc/03/34/18/526033418.db2.gz ZAFFYXGIEPJTHI-OAHLLOKOSA-N 0 3 315.417 2.825 20 10 DFCDHN Nc1ccc(CC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000237910300 527477669 /nfs/dbraw/zinc/47/76/69/527477669.db2.gz UIVQFTWKNRCGGA-IBGZPJMESA-N 0 3 323.440 2.765 20 10 DFCDHN Nc1ccc(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000237915818 527478396 /nfs/dbraw/zinc/47/83/96/527478396.db2.gz VKXZZFPOJRAUCI-IBGZPJMESA-N 0 3 323.440 2.592 20 10 DFCDHN Cn1nncc1CN(Cc1ccccc1O)C1CCCCC1 ZINC000156775284 527651611 /nfs/dbraw/zinc/65/16/11/527651611.db2.gz QDBDKDPAYUJJBM-UHFFFAOYSA-N 0 3 300.406 2.856 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)c1 ZINC000273570088 535753075 /nfs/dbraw/zinc/75/30/75/535753075.db2.gz GHYYKHJKEVMPSR-KZNAEPCWSA-N 0 3 321.417 2.607 20 10 DFCDHN COCCOc1ncccc1CN[C@H](C)c1ccccc1O ZINC000272795681 536742749 /nfs/dbraw/zinc/74/27/49/536742749.db2.gz ANHPOWCHMFNOGZ-CYBMUJFWSA-N 0 3 302.374 2.663 20 10 DFCDHN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092710395 185335710 /nfs/dbraw/zinc/33/57/10/185335710.db2.gz FQQKGXCPYYCXNL-OAHLLOKOSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092710395 185335711 /nfs/dbraw/zinc/33/57/11/185335711.db2.gz FQQKGXCPYYCXNL-OAHLLOKOSA-N 0 3 320.433 2.529 20 10 DFCDHN CN(C)c1ccc(CN(C[C@@H](O)COC(C)(C)C)C2CC2)cc1 ZINC000298735370 282288894 /nfs/dbraw/zinc/28/88/94/282288894.db2.gz UUJVNBGZAYIQCF-GOSISDBHSA-N 0 3 320.477 2.893 20 10 DFCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000273481188 299273582 /nfs/dbraw/zinc/27/35/82/299273582.db2.gz MBAQNQVLMZUHPH-AFAVFJNCSA-N 0 3 322.424 2.560 20 10 DFCDHN COc1ccc(N2CCCN(CCc3ccncc3)CC2)cc1 ZINC000076851247 398872881 /nfs/dbraw/zinc/87/28/81/398872881.db2.gz DVTQAAVBHKWYRD-UHFFFAOYSA-N 0 3 311.429 2.845 20 10 DFCDHN Oc1cc2c(cc1CNCc1ccc3c(n1)CCCC3)OCO2 ZINC000277661824 370691987 /nfs/dbraw/zinc/69/19/87/370691987.db2.gz GYQPCZSIJVQDFK-UHFFFAOYSA-N 0 3 312.369 2.685 20 10 DFCDHN CCOc1cccc(CN2CCC(c3nc(C)no3)CC2)c1O ZINC000091835179 193115223 /nfs/dbraw/zinc/11/52/23/193115223.db2.gz RLVKVQRIENQJQM-UHFFFAOYSA-N 0 3 317.389 2.862 20 10 DFCDHN CCCO[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000093317586 193229843 /nfs/dbraw/zinc/22/98/43/193229843.db2.gz GZWVJNATIKSTLI-CQSZACIVSA-N 0 3 307.390 2.902 20 10 DFCDHN CCCO[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000093317586 193229844 /nfs/dbraw/zinc/22/98/44/193229844.db2.gz GZWVJNATIKSTLI-CQSZACIVSA-N 0 3 307.390 2.902 20 10 DFCDHN CCN(Cc1ccccc1)c1ccc(CNCC(=O)NC)cc1 ZINC000060842497 399144524 /nfs/dbraw/zinc/14/45/24/399144524.db2.gz QACHLFUROZZOOE-UHFFFAOYSA-N 0 3 311.429 2.549 20 10 DFCDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)CC1CCOCC1 ZINC000112698061 285397637 /nfs/dbraw/zinc/39/76/37/285397637.db2.gz KEYVZWXQCOCWAC-QGZVFWFLSA-N 0 3 305.418 2.800 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1CCOCC1 ZINC000112698061 285397639 /nfs/dbraw/zinc/39/76/39/285397639.db2.gz KEYVZWXQCOCWAC-QGZVFWFLSA-N 0 3 305.418 2.800 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c([O-])c1 ZINC000273367740 130112680 /nfs/dbraw/zinc/11/26/80/130112680.db2.gz BVQZKLLVZOURCA-INIZCTEOSA-N 0 3 318.461 2.996 20 10 DFCDHN Cc1ccc([C@H](C)NCCS(=O)(=O)C(C)(C)C)c(O)c1C ZINC000273517858 130130659 /nfs/dbraw/zinc/13/06/59/130130659.db2.gz SVIDPGGRHAJREW-ZDUSSCGKSA-N 0 3 313.463 2.873 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273539565 130133314 /nfs/dbraw/zinc/13/33/14/130133314.db2.gz YBANJHQBBVDFQJ-DOMZBBRYSA-N 0 3 319.376 2.794 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)c([O-])c1C ZINC000274659101 130252163 /nfs/dbraw/zinc/25/21/63/130252163.db2.gz VGUIOTVASGWLKG-DOTOQJQBSA-N 0 3 319.493 2.686 20 10 DFCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCN1C ZINC000283671833 131012583 /nfs/dbraw/zinc/01/25/83/131012583.db2.gz GGTOKQNNVZJCCD-MRXNPFEDSA-N 0 3 319.449 2.798 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c([O-])c1 ZINC000284281286 131066242 /nfs/dbraw/zinc/06/62/42/131066242.db2.gz XJOSBSJOLLNWSW-HZPDHXFCSA-N 0 3 306.450 2.506 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000284954583 131125721 /nfs/dbraw/zinc/12/57/21/131125721.db2.gz HRROIEXVLLXDNF-KBPBESRZSA-N 0 3 315.841 2.602 20 10 DFCDHN CC[C@@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000286260955 131227108 /nfs/dbraw/zinc/22/71/08/131227108.db2.gz VCVXAVNQBYGVMI-RHSMWYFYSA-N 0 3 323.456 2.598 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)NC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000286875325 131253742 /nfs/dbraw/zinc/25/37/42/131253742.db2.gz CAVNQLHMMKCFRF-CABCVRRESA-N 0 3 324.490 2.618 20 10 DFCDHN CN(CCOC1CCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000287490416 131283380 /nfs/dbraw/zinc/28/33/80/131283380.db2.gz XMMCAPHFLYUSMC-UHFFFAOYSA-N 0 3 304.434 2.524 20 10 DFCDHN COc1cccc(CNCc2ccc([N+](=O)[O-])cc2C)c1O ZINC000289453946 131386785 /nfs/dbraw/zinc/38/67/85/131386785.db2.gz NNFFQLGWEOALTK-UHFFFAOYSA-N 0 3 302.330 2.907 20 10 DFCDHN COc1cccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1[O-] ZINC000289464500 131388642 /nfs/dbraw/zinc/38/86/42/131388642.db2.gz OTDXNGWCLFJIPT-CMPLNLGQSA-N 0 3 305.296 2.600 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H](O)C1CC1 ZINC000289527887 131393795 /nfs/dbraw/zinc/39/37/95/131393795.db2.gz VWCIKOOXTJLDRY-IBGZPJMESA-N 0 3 313.397 2.832 20 10 DFCDHN CCOc1cccc(CN2CC=C(c3ccnn3C)CC2)c1O ZINC000289590205 131398655 /nfs/dbraw/zinc/39/86/55/131398655.db2.gz UMUVLJFXSRWSSX-UHFFFAOYSA-N 0 3 313.401 2.814 20 10 DFCDHN COc1cccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000289737657 131411338 /nfs/dbraw/zinc/41/13/38/131411338.db2.gz PYKCSXPBDPGZKL-AWEZNQCLSA-N 0 3 319.323 2.680 20 10 DFCDHN O=C(CC[NH2+][C@H]1CCc2cccc([O-])c21)N1CCCCCC1 ZINC000297682854 132028964 /nfs/dbraw/zinc/02/89/64/132028964.db2.gz LOJQCLUEFNMHOL-HNNXBMFYSA-N 0 3 302.418 2.762 20 10 DFCDHN CCN(C)C(=O)[C@@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000188474343 134683876 /nfs/dbraw/zinc/68/38/76/134683876.db2.gz QTNSEBOEHQKJKU-OAHLLOKOSA-N 0 3 303.450 2.633 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000192842018 286339133 /nfs/dbraw/zinc/33/91/33/286339133.db2.gz KGGMGFYWPCGIHB-ZDUSSCGKSA-N 0 3 320.433 2.698 20 10 DFCDHN C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000185491766 287013914 /nfs/dbraw/zinc/01/39/14/287013914.db2.gz PBYRBWQTALYXAJ-KGLIPLIRSA-N 0 3 322.424 2.683 20 10 DFCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCC)c2[O-])C1 ZINC000125978783 425998375 /nfs/dbraw/zinc/99/83/75/425998375.db2.gz FCIIPOIPCHTIGM-OCCSQVGLSA-N 0 3 307.390 2.612 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1C ZINC000069796953 425957728 /nfs/dbraw/zinc/95/77/28/425957728.db2.gz MZPYJQLDLYIYST-QGZVFWFLSA-N 0 3 318.461 2.553 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1C ZINC000069796953 425957730 /nfs/dbraw/zinc/95/77/30/425957730.db2.gz MZPYJQLDLYIYST-QGZVFWFLSA-N 0 3 318.461 2.553 20 10 DFCDHN CCOC(=O)CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976559 425979100 /nfs/dbraw/zinc/97/91/00/425979100.db2.gz MWZXOEPKYBAGMN-INIZCTEOSA-N 0 3 321.417 2.717 20 10 DFCDHN CCOC(=O)CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976559 425979103 /nfs/dbraw/zinc/97/91/03/425979103.db2.gz MWZXOEPKYBAGMN-INIZCTEOSA-N 0 3 321.417 2.717 20 10 DFCDHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000113343351 426112824 /nfs/dbraw/zinc/11/28/24/426112824.db2.gz KRRMMSHWFKVMTN-OAHLLOKOSA-N 0 3 318.417 2.721 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@](C)(O)c2ccsc2)c1[O-] ZINC000077461035 426134600 /nfs/dbraw/zinc/13/46/00/426134600.db2.gz BNDPWJKBIJEPBR-MRXNPFEDSA-N 0 3 307.415 2.850 20 10 DFCDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000170902087 426159186 /nfs/dbraw/zinc/15/91/86/426159186.db2.gz OBIMGUKOAOQNOD-SFHVURJKSA-N 0 3 315.461 2.777 20 10 DFCDHN CCN(CC)c1ccc(CNC(=O)C2CCN(C)CC2)cc1F ZINC000172799643 426231342 /nfs/dbraw/zinc/23/13/42/426231342.db2.gz MESRHKKVEUOTMU-UHFFFAOYSA-N 0 3 321.440 2.630 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCCC3)C1)OCO2 ZINC000136714593 426244966 /nfs/dbraw/zinc/24/49/66/426244966.db2.gz PWCVYIAMRUOBGB-CYBMUJFWSA-N 0 3 305.374 2.702 20 10 DFCDHN C[C@H]1CCC[N@@H+]1C1CCN(Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000151629744 426304395 /nfs/dbraw/zinc/30/43/95/426304395.db2.gz MHIWLIPFNXFCJY-ZDUSSCGKSA-N 0 3 318.417 2.570 20 10 DFCDHN C[C@H]1CCC[N@H+]1C1CCN(Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000151629744 426304397 /nfs/dbraw/zinc/30/43/97/426304397.db2.gz MHIWLIPFNXFCJY-ZDUSSCGKSA-N 0 3 318.417 2.570 20 10 DFCDHN CCC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)N(C)C ZINC000121147971 426322422 /nfs/dbraw/zinc/32/24/22/426322422.db2.gz TWTBMEOGXZEEAJ-INIZCTEOSA-N 0 3 304.434 2.618 20 10 DFCDHN CCN(CC)c1ccc(CN[C@](C)(CCO)COC)cc1F ZINC000175855049 426334784 /nfs/dbraw/zinc/33/47/84/426334784.db2.gz ATJXEWXTLYCWNT-QGZVFWFLSA-N 0 3 312.429 2.549 20 10 DFCDHN [O-]c1cc2c(cc1CN1CCC[C@@H]([NH+]3CCCCC3)C1)OCO2 ZINC000152538411 426346049 /nfs/dbraw/zinc/34/60/49/426346049.db2.gz PWMLGKQOSMXJGU-OAHLLOKOSA-N 0 3 318.417 2.571 20 10 DFCDHN CCOc1ccc(O)c(CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000093691657 426357686 /nfs/dbraw/zinc/35/76/86/426357686.db2.gz OBOSSVIHAIAXOU-QGZVFWFLSA-N 0 3 314.385 2.839 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000093691657 426357689 /nfs/dbraw/zinc/35/76/89/426357689.db2.gz OBOSSVIHAIAXOU-QGZVFWFLSA-N 0 3 314.385 2.839 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000093691657 426357691 /nfs/dbraw/zinc/35/76/91/426357691.db2.gz OBOSSVIHAIAXOU-QGZVFWFLSA-N 0 3 314.385 2.839 20 10 DFCDHN CN(C)c1ccc(CNC[C@@](C)(O)c2cccs2)cc1F ZINC000153024172 426367435 /nfs/dbraw/zinc/36/74/35/426367435.db2.gz JJWDCTBFPBJFQV-MRXNPFEDSA-N 0 3 308.422 2.951 20 10 DFCDHN COc1cccc(CN2CCC[C@H](n3cc(C)cn3)C2)c1O ZINC000123062886 426412050 /nfs/dbraw/zinc/41/20/50/426412050.db2.gz NRTJANDMTYONHW-HNNXBMFYSA-N 0 3 301.390 2.743 20 10 DFCDHN CCOC(=O)N[C@@H]1CCCN(Cc2cc(OCC)ccc2O)C1 ZINC000154012252 426417998 /nfs/dbraw/zinc/41/79/98/426417998.db2.gz IQBMTPNZGPPORE-CQSZACIVSA-N 0 3 322.405 2.501 20 10 DFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2[O-])C12CCOCC2 ZINC000186456138 426530746 /nfs/dbraw/zinc/53/07/46/426530746.db2.gz MRVMWUILJSJDFF-HZPDHXFCSA-N 0 3 305.418 2.764 20 10 DFCDHN O[C@@H](CNCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000219457405 426572566 /nfs/dbraw/zinc/57/25/66/426572566.db2.gz BNLAYLJDNLRWSM-AWEZNQCLSA-N 0 3 302.340 2.690 20 10 DFCDHN CN1C(=O)CCc2cc(C[N@H+](C)Cc3ccccc3[O-])ccc21 ZINC000186908007 426607665 /nfs/dbraw/zinc/60/76/65/426607665.db2.gz QGRWHMOXTHADSV-UHFFFAOYSA-N 0 3 310.397 2.933 20 10 DFCDHN CN1C(=O)CCc2cc(C[N@@H+](C)Cc3ccccc3[O-])ccc21 ZINC000186908007 426607670 /nfs/dbraw/zinc/60/76/70/426607670.db2.gz QGRWHMOXTHADSV-UHFFFAOYSA-N 0 3 310.397 2.933 20 10 DFCDHN COC(=O)C(C)(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000289641886 426671192 /nfs/dbraw/zinc/67/11/92/426671192.db2.gz XOXOWQJEIADIJC-UHFFFAOYSA-N 0 3 315.797 2.733 20 10 DFCDHN Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289659083 426671625 /nfs/dbraw/zinc/67/16/25/426671625.db2.gz NDTCHYLCEOEOEV-OLZOCXBDSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289659083 426671627 /nfs/dbraw/zinc/67/16/27/426671627.db2.gz NDTCHYLCEOEOEV-OLZOCXBDSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1cccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289659083 426671632 /nfs/dbraw/zinc/67/16/32/426671632.db2.gz NDTCHYLCEOEOEV-OLZOCXBDSA-N 0 3 303.324 2.693 20 10 DFCDHN CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000289910131 426676732 /nfs/dbraw/zinc/67/67/32/426676732.db2.gz URVFDMGSOLEEJS-LLVKDONJSA-N 0 3 315.255 2.973 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1OC ZINC000281259256 426706258 /nfs/dbraw/zinc/70/62/58/426706258.db2.gz XWFKMWBWHYSBTR-JTQLQIEISA-N 0 3 301.333 2.934 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+]CCCOc1ccccc1)OCO2 ZINC000238126461 426710657 /nfs/dbraw/zinc/71/06/57/426710657.db2.gz QXENTLSXITUJRD-UHFFFAOYSA-N 0 3 301.342 2.680 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+]CCc1cc(F)cc(F)c1)OCO2 ZINC000238128229 426711229 /nfs/dbraw/zinc/71/12/29/426711229.db2.gz ZRDGUZMVSZIOKO-UHFFFAOYSA-N 0 3 307.296 2.731 20 10 DFCDHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(OC)c1O ZINC000246124994 426802334 /nfs/dbraw/zinc/80/23/34/426802334.db2.gz ACRUJLXHPZRIHU-YUELXQCFSA-N 0 3 319.401 2.707 20 10 DFCDHN CCc1nsc(N2CCC[N@H+](Cc3ccccc3[O-])CC2)n1 ZINC000179584843 426804661 /nfs/dbraw/zinc/80/46/61/426804661.db2.gz LGWSQBRSHGTUPO-UHFFFAOYSA-N 0 3 318.446 2.518 20 10 DFCDHN CCc1nsc(N2CCC[N@@H+](Cc3ccccc3[O-])CC2)n1 ZINC000179584843 426804665 /nfs/dbraw/zinc/80/46/65/426804665.db2.gz LGWSQBRSHGTUPO-UHFFFAOYSA-N 0 3 318.446 2.518 20 10 DFCDHN Cc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000179669584 426812591 /nfs/dbraw/zinc/81/25/91/426812591.db2.gz SKKWWNUIHGSXGE-CQSZACIVSA-N 0 3 306.406 2.800 20 10 DFCDHN COc1ccc(O)c(CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000282466007 426916642 /nfs/dbraw/zinc/91/66/42/426916642.db2.gz VYACLCLKLPHNIR-LJQANCHMSA-N 0 3 313.397 2.715 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CN(C)C(C)C)c1[O-] ZINC000291585607 426921827 /nfs/dbraw/zinc/92/18/27/426921827.db2.gz PHDMIBDOIOHZGB-LLVKDONJSA-N 0 3 300.830 2.873 20 10 DFCDHN CC[C@H](NCc1cnn(CCOC)c1)c1ccc(N(C)C)cc1 ZINC000282780536 426923454 /nfs/dbraw/zinc/92/34/54/426923454.db2.gz PMKFCEBWQYMDAD-SFHVURJKSA-N 0 3 316.449 2.836 20 10 DFCDHN COc1cccc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000290881620 426863258 /nfs/dbraw/zinc/86/32/58/426863258.db2.gz KUQOLQRYDDNZOI-WBVHZDCISA-N 0 3 303.402 2.934 20 10 DFCDHN Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1[C@H]1CCCO1)OCO2 ZINC000290947660 426871095 /nfs/dbraw/zinc/87/10/95/426871095.db2.gz QKQNXNLTYWBBNV-PBHICJAKSA-N 0 3 317.385 2.654 20 10 DFCDHN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(C)c(C)cc3O)[C@@H]2C1 ZINC000247050133 426898648 /nfs/dbraw/zinc/89/86/48/426898648.db2.gz VFJHCVHWYAFEOB-JFIYKMOQSA-N 0 3 305.418 2.777 20 10 DFCDHN CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295914968 427017621 /nfs/dbraw/zinc/01/76/21/427017621.db2.gz JLFXVVNXHSWSON-MRXNPFEDSA-N 0 3 310.397 2.871 20 10 DFCDHN C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268797783 427119055 /nfs/dbraw/zinc/11/90/55/427119055.db2.gz CLHOWXWJKJHWSU-DZGCQCFKSA-N 0 3 319.424 2.697 20 10 DFCDHN C[C@@H](NCCOCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268856002 427134341 /nfs/dbraw/zinc/13/43/41/427134341.db2.gz CWESQGFHBNSGPX-CQSZACIVSA-N 0 3 322.424 2.740 20 10 DFCDHN CO[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000268933800 427139632 /nfs/dbraw/zinc/13/96/32/427139632.db2.gz MRVHZVCVJAZGCN-KSSFIOAISA-N 0 3 324.440 2.984 20 10 DFCDHN CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CCc3cccc([O-])c32)C1)C(N)=O ZINC000296558677 427225642 /nfs/dbraw/zinc/22/56/42/427225642.db2.gz SCACMESTGRIGPE-ZFWWWQNUSA-N 0 3 316.445 2.993 20 10 DFCDHN CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CCc3cccc([O-])c32)C1)C(N)=O ZINC000296558677 427225647 /nfs/dbraw/zinc/22/56/47/427225647.db2.gz SCACMESTGRIGPE-ZFWWWQNUSA-N 0 3 316.445 2.993 20 10 DFCDHN CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C ZINC000296645282 427227212 /nfs/dbraw/zinc/22/72/12/427227212.db2.gz YLHAEDWTLVZVPH-YOEHRIQHSA-N 0 3 305.466 2.906 20 10 DFCDHN COc1ccc(CN[C@@H](CO)C[C@H](O)c2ccccc2)cc1C ZINC000269897721 427302293 /nfs/dbraw/zinc/30/22/93/427302293.db2.gz DYLZQFGYLPUNNU-MSOLQXFVSA-N 0 3 315.413 2.578 20 10 DFCDHN COC(=O)N1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293613753 427382527 /nfs/dbraw/zinc/38/25/27/427382527.db2.gz GUEPGWLDPPVPDQ-ZDUSSCGKSA-N 0 3 306.406 2.890 20 10 DFCDHN CCOCc1cc(CNC[C@@](C)(O)C(F)(F)F)ccc1OC ZINC000270551048 427364453 /nfs/dbraw/zinc/36/44/53/427364453.db2.gz MKZFEPPXCMMRJR-CQSZACIVSA-N 0 3 321.339 2.635 20 10 DFCDHN CCOc1ccc(O)c(CN[C@H](CC)[C@@H](O)C(F)(F)F)c1 ZINC000270972499 427368095 /nfs/dbraw/zinc/36/80/95/427368095.db2.gz JRXYRPPAGRVTOS-DGCLKSJQSA-N 0 3 307.312 2.582 20 10 DFCDHN CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000293756572 427426252 /nfs/dbraw/zinc/42/62/52/427426252.db2.gz QVTIPKNJPDABPR-STQMWFEESA-N 0 3 308.422 2.604 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1OC ZINC000278337952 427430823 /nfs/dbraw/zinc/43/08/23/427430823.db2.gz HIHBFPOSDDHQMD-OAHLLOKOSA-N 0 3 320.433 2.516 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000278424845 427439320 /nfs/dbraw/zinc/43/93/20/427439320.db2.gz GJAQBIZQTKDJRB-HZPDHXFCSA-N 0 3 306.450 2.852 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000278424616 427439453 /nfs/dbraw/zinc/43/94/53/427439453.db2.gz SENXBLARTHWQAA-UKRRQHHQSA-N 0 3 316.367 2.888 20 10 DFCDHN CC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccccc1[O-] ZINC000278476815 427442239 /nfs/dbraw/zinc/44/22/39/427442239.db2.gz KFJDHDSYYDFTJB-RDJZCZTQSA-N 0 3 306.450 2.934 20 10 DFCDHN COC[C@H](NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000278673349 427446543 /nfs/dbraw/zinc/44/65/43/427446543.db2.gz OIZIOGTZALTSKK-RBUKOAKNSA-N 0 3 318.461 2.961 20 10 DFCDHN C[C@H]([NH2+]CCCN1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000184837983 427549700 /nfs/dbraw/zinc/54/97/00/427549700.db2.gz PHAGLGBQQXJFDU-HNNXBMFYSA-N 0 3 318.461 2.644 20 10 DFCDHN COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184949160 427567492 /nfs/dbraw/zinc/56/74/92/427567492.db2.gz VTAPUYIUVZNXPI-GTNSWQLSSA-N 0 3 305.349 2.924 20 10 DFCDHN COc1ccc(O)c(CN[C@H](CO)c2ccc(Cl)cc2)c1 ZINC000271766405 427583862 /nfs/dbraw/zinc/58/38/62/427583862.db2.gz AJMMJHUKNBUSNQ-OAHLLOKOSA-N 0 3 307.777 2.877 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2ccc(NC(C)=O)nc2)c1 ZINC000279173590 427584649 /nfs/dbraw/zinc/58/46/49/427584649.db2.gz UZEWDCOICWHTCY-NSHDSACASA-N 0 3 315.373 2.605 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC000271759342 427585717 /nfs/dbraw/zinc/58/57/17/427585717.db2.gz YDEZIQXIYPYUMO-AWEZNQCLSA-N 0 3 320.433 2.528 20 10 DFCDHN Cc1cccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000271715979 427586908 /nfs/dbraw/zinc/58/69/08/427586908.db2.gz IHVVFCKWLUVUKS-UHFFFAOYSA-N 0 3 310.397 2.964 20 10 DFCDHN Cc1cccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1[O-] ZINC000271715979 427586916 /nfs/dbraw/zinc/58/69/16/427586916.db2.gz IHVVFCKWLUVUKS-UHFFFAOYSA-N 0 3 310.397 2.964 20 10 DFCDHN Cc1cccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1[O-] ZINC000271715979 427586919 /nfs/dbraw/zinc/58/69/19/427586919.db2.gz IHVVFCKWLUVUKS-UHFFFAOYSA-N 0 3 310.397 2.964 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c([O-])c1 ZINC000185127861 427597887 /nfs/dbraw/zinc/59/78/87/427597887.db2.gz LGXGAOFDYBJUPD-UKRRQHHQSA-N 0 3 319.376 2.930 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000192939190 427638832 /nfs/dbraw/zinc/63/88/32/427638832.db2.gz NNZPQZNTGHEWRW-UKRRQHHQSA-N 0 3 309.406 2.637 20 10 DFCDHN O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(O)c1[O-] ZINC000192961106 427644260 /nfs/dbraw/zinc/64/42/60/427644260.db2.gz OKSGNJJPDWZGKM-UHFFFAOYSA-N 0 3 312.369 2.946 20 10 DFCDHN CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])C(C)C ZINC000295024042 427669945 /nfs/dbraw/zinc/66/99/45/427669945.db2.gz KZENOIGPWRMTFN-WBMJQRKESA-N 0 3 308.422 2.554 20 10 DFCDHN CCN(C)C(=O)[C@@H](N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000295024042 427669947 /nfs/dbraw/zinc/66/99/47/427669947.db2.gz KZENOIGPWRMTFN-WBMJQRKESA-N 0 3 308.422 2.554 20 10 DFCDHN CC(C)COC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298723255 427687234 /nfs/dbraw/zinc/68/72/34/427687234.db2.gz LVWMWOAZYBZHGJ-IBGZPJMESA-N 0 3 320.477 2.751 20 10 DFCDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC2(CCOCC2)O1 ZINC000279684992 427714824 /nfs/dbraw/zinc/71/48/24/427714824.db2.gz FQQQAZNGPBHJQE-OAHLLOKOSA-N 0 3 304.434 2.523 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCOC2CCOCC2)c1 ZINC000186074274 427745697 /nfs/dbraw/zinc/74/56/97/427745697.db2.gz QSFJVVJKKNICBN-CYBMUJFWSA-N 0 3 309.406 2.637 20 10 DFCDHN CCOc1cccc(C[N@@H+]2C[C@@H](C(=O)OC)C3(CCC3)C2)c1[O-] ZINC000369650615 428025436 /nfs/dbraw/zinc/02/54/36/428025436.db2.gz VLPGUJKSQYMADH-AWEZNQCLSA-N 0 3 319.401 2.566 20 10 DFCDHN CCOc1cccc(C[N@H+]2C[C@@H](C(=O)OC)C3(CCC3)C2)c1[O-] ZINC000369650615 428025443 /nfs/dbraw/zinc/02/54/43/428025443.db2.gz VLPGUJKSQYMADH-AWEZNQCLSA-N 0 3 319.401 2.566 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2c2cccnn2)c([O-])c1 ZINC000359957267 428093879 /nfs/dbraw/zinc/09/38/79/428093879.db2.gz HCNZESRIFGEKQH-GJZGRUSLSA-N 0 3 312.417 2.810 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC3(CCC[N@H+]3C)CC2)c1[O-] ZINC000369956412 428097504 /nfs/dbraw/zinc/09/75/04/428097504.db2.gz BNCYMOGMZHZVMV-UHFFFAOYSA-N 0 3 320.408 2.794 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC3(CCC[N@@H+]3C)CC2)c1[O-] ZINC000369956412 428097506 /nfs/dbraw/zinc/09/75/06/428097506.db2.gz BNCYMOGMZHZVMV-UHFFFAOYSA-N 0 3 320.408 2.794 20 10 DFCDHN CC[C@H](c1ccccc1O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000370223761 428162987 /nfs/dbraw/zinc/16/29/87/428162987.db2.gz DZSHOUUPSJTXQY-AEFFLSMTSA-N 0 3 315.417 2.824 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC23CCC(CO)CC3)c1[O-] ZINC000371476245 428393293 /nfs/dbraw/zinc/39/32/93/428393293.db2.gz AVAQYCQNURVXHH-UHFFFAOYSA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC23CCC(CO)CC3)c1[O-] ZINC000371476245 428393299 /nfs/dbraw/zinc/39/32/99/428393299.db2.gz AVAQYCQNURVXHH-UHFFFAOYSA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c1[O-] ZINC000371332656 428382388 /nfs/dbraw/zinc/38/23/88/428382388.db2.gz ANTKOQREUCLLMH-UHFFFAOYSA-N 0 3 301.390 2.894 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1OC ZINC000371365089 428386881 /nfs/dbraw/zinc/38/68/81/428386881.db2.gz BLIVKYQLJIKEIZ-GFCCVEGCSA-N 0 3 303.358 2.992 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1OC ZINC000371365089 428386885 /nfs/dbraw/zinc/38/68/85/428386885.db2.gz BLIVKYQLJIKEIZ-GFCCVEGCSA-N 0 3 303.358 2.992 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(n3cc(C)cn3)CC2)c1 ZINC000361051691 428531374 /nfs/dbraw/zinc/53/13/74/428531374.db2.gz ZAHWOGOVQIIIRZ-UHFFFAOYSA-N 0 3 301.390 2.743 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1ccccc1[O-] ZINC000372801741 428502652 /nfs/dbraw/zinc/50/26/52/428502652.db2.gz MBNCMLVBJVGCMM-VYDXJSESSA-N 0 3 304.434 2.686 20 10 DFCDHN CCc1nc([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000361055788 428531526 /nfs/dbraw/zinc/53/15/26/428531526.db2.gz XFNNWPSZFURYLT-NSHDSACASA-N 0 3 305.353 2.856 20 10 DFCDHN CCc1nc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000361055788 428531528 /nfs/dbraw/zinc/53/15/28/428531528.db2.gz XFNNWPSZFURYLT-NSHDSACASA-N 0 3 305.353 2.856 20 10 DFCDHN CC[C@H]1CN(Cc2cccc(C)c2O)C[C@]2(CCCOC2)O1 ZINC000373470957 428585737 /nfs/dbraw/zinc/58/57/37/428585737.db2.gz UYRJKEOYZOUNQP-WMZOPIPTSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@H]1C[N@H+](Cc2cccc(C)c2[O-])C[C@]2(CCCOC2)O1 ZINC000373470957 428585741 /nfs/dbraw/zinc/58/57/41/428585741.db2.gz UYRJKEOYZOUNQP-WMZOPIPTSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@H]1C[N@@H+](Cc2cccc(C)c2[O-])C[C@]2(CCCOC2)O1 ZINC000373470957 428585750 /nfs/dbraw/zinc/58/57/50/428585750.db2.gz UYRJKEOYZOUNQP-WMZOPIPTSA-N 0 3 305.418 2.861 20 10 DFCDHN CCn1ncc2c1CCC[C@@H]2NCc1cccc(OC)c1O ZINC000361732113 428593907 /nfs/dbraw/zinc/59/39/07/428593907.db2.gz FGKNDHMVBIVPTI-AWEZNQCLSA-N 0 3 301.390 2.784 20 10 DFCDHN CC1(C)CN(Cc2cc(F)ccc2O)C[C@]2(CCCOC2)O1 ZINC000373611821 428619932 /nfs/dbraw/zinc/61/99/32/428619932.db2.gz PULDZVAIGSNRHR-KRWDZBQOSA-N 0 3 309.381 2.691 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000290970856 274095195 /nfs/dbraw/zinc/09/51/95/274095195.db2.gz SMDGKGDNKHXMAT-HNNXBMFYSA-N 0 3 313.825 2.941 20 10 DFCDHN O=C([C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)N1CCCCC1 ZINC000374260728 428671053 /nfs/dbraw/zinc/67/10/53/428671053.db2.gz YHIABIDQIRTZDQ-INIZCTEOSA-N 0 3 302.418 2.617 20 10 DFCDHN O=C([C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)N1CCCCC1 ZINC000374260728 428671060 /nfs/dbraw/zinc/67/10/60/428671060.db2.gz YHIABIDQIRTZDQ-INIZCTEOSA-N 0 3 302.418 2.617 20 10 DFCDHN CN(C)c1ccc(C2=CCN(Cc3ccc(C(N)=O)cc3)C2)cc1 ZINC000374323697 428673851 /nfs/dbraw/zinc/67/38/51/428673851.db2.gz JCPWIUMXPSIMJW-UHFFFAOYSA-N 0 3 321.424 2.751 20 10 DFCDHN CCOC(=O)C1(C)CCN(Cc2cccc(OC)c2O)CC1 ZINC000374786214 428753294 /nfs/dbraw/zinc/75/32/94/428753294.db2.gz YIDVVZXHLMJASB-UHFFFAOYSA-N 0 3 307.390 2.566 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccnc(-n3ccnc3)c2)c1 ZINC000363855265 428998942 /nfs/dbraw/zinc/99/89/42/428998942.db2.gz NIQYJILHWRRGBN-CYBMUJFWSA-N 0 3 324.384 2.832 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000363860070 428999390 /nfs/dbraw/zinc/99/93/90/428999390.db2.gz GEKRCBRFLBYOKE-CYBMUJFWSA-N 0 3 313.397 2.581 20 10 DFCDHN Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C2 ZINC000363854788 429000784 /nfs/dbraw/zinc/00/07/84/429000784.db2.gz ADVIEVZWWLQCIP-QMTHXVAHSA-N 0 3 301.365 2.838 20 10 DFCDHN Cc1c2ccccc2n(C)c1CNC(=O)CC1CCN(C)CC1 ZINC000487556596 429161044 /nfs/dbraw/zinc/16/10/44/429161044.db2.gz HCBIAUIMCDQGSU-UHFFFAOYSA-N 0 3 313.445 2.835 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000365838228 429383204 /nfs/dbraw/zinc/38/32/04/429383204.db2.gz OUYREVWIWCZCQW-GOSISDBHSA-N 0 3 301.361 2.667 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000365838228 429383206 /nfs/dbraw/zinc/38/32/06/429383206.db2.gz OUYREVWIWCZCQW-GOSISDBHSA-N 0 3 301.361 2.667 20 10 DFCDHN Cc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000366775896 429512452 /nfs/dbraw/zinc/51/24/52/429512452.db2.gz YWTMIVVCHXNRTK-RVKKMQEKSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1[O-] ZINC000366775896 429512457 /nfs/dbraw/zinc/51/24/57/429512457.db2.gz YWTMIVVCHXNRTK-RVKKMQEKSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1[O-] ZINC000366775896 429512462 /nfs/dbraw/zinc/51/24/62/429512462.db2.gz YWTMIVVCHXNRTK-RVKKMQEKSA-N 0 3 305.418 2.859 20 10 DFCDHN COc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000366807759 429517515 /nfs/dbraw/zinc/51/75/15/429517515.db2.gz IJMAHVQWERNTOP-DEYYWGMASA-N 0 3 321.417 2.559 20 10 DFCDHN COc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1O ZINC000366807762 429517802 /nfs/dbraw/zinc/51/78/02/429517802.db2.gz IJMAHVQWERNTOP-QWQRMKEZSA-N 0 3 321.417 2.559 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000367308717 429616958 /nfs/dbraw/zinc/61/69/58/429616958.db2.gz QSJIKNSYCSVCEJ-HOTGVXAUSA-N 0 3 314.433 2.945 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000367308717 429616963 /nfs/dbraw/zinc/61/69/63/429616963.db2.gz QSJIKNSYCSVCEJ-HOTGVXAUSA-N 0 3 314.433 2.945 20 10 DFCDHN COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cc(OC)ccc2[O-])CC1(C)C ZINC000367315965 429619474 /nfs/dbraw/zinc/61/94/74/429619474.db2.gz BMRUKHLRXMMLEO-RISCZKNCSA-N 0 3 307.390 2.593 20 10 DFCDHN COC(=O)[C@@H]1C[N@H+]([C@H](C)c2cc(OC)ccc2[O-])CC1(C)C ZINC000367315965 429619478 /nfs/dbraw/zinc/61/94/78/429619478.db2.gz BMRUKHLRXMMLEO-RISCZKNCSA-N 0 3 307.390 2.593 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000367321129 429621670 /nfs/dbraw/zinc/62/16/70/429621670.db2.gz CZWXKLYHJDKLHO-INIZCTEOSA-N 0 3 312.417 2.846 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(c2cccnn2)CC1 ZINC000367321129 429621674 /nfs/dbraw/zinc/62/16/74/429621674.db2.gz CZWXKLYHJDKLHO-INIZCTEOSA-N 0 3 312.417 2.846 20 10 DFCDHN CCOc1cccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1[O-] ZINC000527813357 429805002 /nfs/dbraw/zinc/80/50/02/429805002.db2.gz ZTZHRXXBGURFCV-UHFFFAOYSA-N 0 3 320.433 2.529 20 10 DFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC2CC(O)C2)c1[O-] ZINC000528018749 429836506 /nfs/dbraw/zinc/83/65/06/429836506.db2.gz PEEULGWEQFOWEF-BMQDGWLCSA-N 0 3 314.223 2.885 20 10 DFCDHN COCC[C@@H]1CCCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000368679350 429886530 /nfs/dbraw/zinc/88/65/30/429886530.db2.gz YGSGTOLJCRICEK-ZDUSSCGKSA-N 0 3 307.390 2.760 20 10 DFCDHN COCC[C@@H]1CCCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000368679350 429886531 /nfs/dbraw/zinc/88/65/31/429886531.db2.gz YGSGTOLJCRICEK-ZDUSSCGKSA-N 0 3 307.390 2.760 20 10 DFCDHN CN1CCC[C@@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC000368720117 429890047 /nfs/dbraw/zinc/89/00/47/429890047.db2.gz VKJQNPPQHPIXFG-FQEVSTJZSA-N 0 3 324.424 2.990 20 10 DFCDHN CN1CCC[C@@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC000368720117 429890049 /nfs/dbraw/zinc/89/00/49/429890049.db2.gz VKJQNPPQHPIXFG-FQEVSTJZSA-N 0 3 324.424 2.990 20 10 DFCDHN COC[C@@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)OC ZINC000280318434 277246060 /nfs/dbraw/zinc/24/60/60/277246060.db2.gz PDROCQPNOIPGFX-CYBMUJFWSA-N 0 3 320.355 2.522 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000293946108 335116051 /nfs/dbraw/zinc/11/60/51/335116051.db2.gz ILYFMKAWJUPYPG-CYBMUJFWSA-N 0 3 314.223 2.810 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000293946108 335116053 /nfs/dbraw/zinc/11/60/53/335116053.db2.gz ILYFMKAWJUPYPG-CYBMUJFWSA-N 0 3 314.223 2.810 20 10 DFCDHN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000114770774 333146844 /nfs/dbraw/zinc/14/68/44/333146844.db2.gz ZHTFIOWTIXICJY-CQSZACIVSA-N 0 3 306.406 2.881 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H](C)CCCO)c1[O-] ZINC000294681474 335125436 /nfs/dbraw/zinc/12/54/36/335125436.db2.gz BQLJSRZLBXKIPF-JTQLQIEISA-N 0 3 316.239 2.961 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c([O-])c1 ZINC000319803963 333409047 /nfs/dbraw/zinc/40/90/47/333409047.db2.gz HUSZMLBAVPSPCA-BBRMVZONSA-N 0 3 315.417 2.618 20 10 DFCDHN C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000297340844 335153256 /nfs/dbraw/zinc/15/32/56/335153256.db2.gz OMRDCCODMOKOJK-NHYWBVRUSA-N 0 3 307.340 2.925 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+](C)CCCCO)c1[O-] ZINC000276514912 334080568 /nfs/dbraw/zinc/08/05/68/334080568.db2.gz BIZYAQKQDWOXEA-UHFFFAOYSA-N 0 3 302.212 2.667 20 10 DFCDHN CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-])C1CC1 ZINC000275892765 334073775 /nfs/dbraw/zinc/07/37/75/334073775.db2.gz ZQXARUYJDSLHRS-QGZVFWFLSA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N(C[C@H]1CCC[N@H+]1Cc1cccc(C)c1[O-])C1CC1 ZINC000275892765 334073777 /nfs/dbraw/zinc/07/37/77/334073777.db2.gz ZQXARUYJDSLHRS-QGZVFWFLSA-N 0 3 302.418 2.676 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+](C)CCCCO)c1[O-] ZINC000276514912 334080567 /nfs/dbraw/zinc/08/05/67/334080567.db2.gz BIZYAQKQDWOXEA-UHFFFAOYSA-N 0 3 302.212 2.667 20 10 DFCDHN CCc1ccc([C@@H](O)C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000285418363 334147641 /nfs/dbraw/zinc/14/76/41/334147641.db2.gz GLRYUWCLKWELFF-INIZCTEOSA-N 0 3 301.386 2.786 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@H](C(=O)N(C)CC)C(C)C)c([O-])c1 ZINC000295117488 334218953 /nfs/dbraw/zinc/21/89/53/334218953.db2.gz WBBZSJUGEDCKJF-KRWDZBQOSA-N 0 3 322.449 2.774 20 10 DFCDHN Cc1c2ccccc2n(C)c1CNC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000352136308 336196200 /nfs/dbraw/zinc/19/62/00/336196200.db2.gz XVLCNZMBVZJHMC-KBPBESRZSA-N 0 3 313.445 2.976 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000367373615 336733462 /nfs/dbraw/zinc/73/34/62/336733462.db2.gz XNLDAZNZLLERIP-OAHLLOKOSA-N 0 3 302.418 2.788 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C23CCC3)cc1OC ZINC000368033590 336836013 /nfs/dbraw/zinc/83/60/13/336836013.db2.gz GTIALFLKLRGMNK-SSKCKEOISA-N 0 3 321.417 2.703 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000371835159 336914243 /nfs/dbraw/zinc/91/42/43/336914243.db2.gz QUECJDBRESVNRM-CGTJXYLNSA-N 0 3 318.461 2.995 20 10 DFCDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cncs2)C1 ZINC000374137922 336982097 /nfs/dbraw/zinc/98/20/97/336982097.db2.gz KVHWTGNIQRXOPW-NPQIQWPPSA-N 0 3 313.426 2.676 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1ccc(C)cc1[O-] ZINC000374506248 336991005 /nfs/dbraw/zinc/99/10/05/336991005.db2.gz PPNXMAIYZTXOKX-HRCADAONSA-N 0 3 302.418 2.895 20 10 DFCDHN COCCn1ncc2c1[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])CCC2 ZINC000375198498 337005713 /nfs/dbraw/zinc/00/57/13/337005713.db2.gz WXESNOGDAHJSDV-BBRMVZONSA-N 0 3 315.417 2.963 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1[O-] ZINC000376147100 337028327 /nfs/dbraw/zinc/02/83/27/337028327.db2.gz YQPVYKGBSIEYHG-LSDHHAIUSA-N 0 3 317.433 2.723 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)c1ccccc1[O-] ZINC000376323013 337031374 /nfs/dbraw/zinc/03/13/74/337031374.db2.gz SKBZWRAIARIONQ-HOCLYGCPSA-N 0 3 312.417 2.892 20 10 DFCDHN CC[C@@H]1CN(Cc2cc(C)ccc2O)C[C@]2(CCCOC2)O1 ZINC000376444907 337033580 /nfs/dbraw/zinc/03/35/80/337033580.db2.gz XTFYKUJZIMSUMB-AEFFLSMTSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000376444907 337033581 /nfs/dbraw/zinc/03/35/81/337033581.db2.gz XTFYKUJZIMSUMB-AEFFLSMTSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000376444907 337033582 /nfs/dbraw/zinc/03/35/82/337033582.db2.gz XTFYKUJZIMSUMB-AEFFLSMTSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@@H]1CN([C@H](C)c2cc(OC)ccc2O)C[C@@]2(CCOC2)O1 ZINC000377699288 337058990 /nfs/dbraw/zinc/05/89/90/337058990.db2.gz QREQMFZYWZTCDJ-HBUWYVDXSA-N 0 3 321.417 2.732 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1[O-] ZINC000377882096 337063230 /nfs/dbraw/zinc/06/32/30/337063230.db2.gz CPLCGAQGYAACPN-NSHDSACASA-N 0 3 321.808 2.777 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1[O-] ZINC000377882096 337063231 /nfs/dbraw/zinc/06/32/31/337063231.db2.gz CPLCGAQGYAACPN-NSHDSACASA-N 0 3 321.808 2.777 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000179859488 337172280 /nfs/dbraw/zinc/17/22/80/337172280.db2.gz MDGYXWIPFAVWBB-JZXOWHBKSA-N 0 3 318.461 2.774 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000179859488 337172281 /nfs/dbraw/zinc/17/22/81/337172281.db2.gz MDGYXWIPFAVWBB-JZXOWHBKSA-N 0 3 318.461 2.774 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000179981393 337172999 /nfs/dbraw/zinc/17/29/99/337172999.db2.gz CZEFTAKIRJSNIV-UHFFFAOYSA-N 0 3 301.390 2.514 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000180011247 337173106 /nfs/dbraw/zinc/17/31/06/337173106.db2.gz JQUQCYJUSXFKLI-MRXNPFEDSA-N 0 3 309.381 2.691 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccccc1[O-] ZINC000183552785 337192111 /nfs/dbraw/zinc/19/21/11/337192111.db2.gz CXHNAELIQSOMCL-STQMWFEESA-N 0 3 301.365 2.856 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c([O-])c1 ZINC000185553069 337249085 /nfs/dbraw/zinc/24/90/85/337249085.db2.gz RJNZIYCHAYJKQU-GJZGRUSLSA-N 0 3 314.433 2.754 20 10 DFCDHN COc1ccc(CNC[C@H]2c3ccccc3C(=O)N2C)cc1C ZINC000527806987 337765242 /nfs/dbraw/zinc/76/52/42/337765242.db2.gz OCEWGTPPZFUNAG-KRWDZBQOSA-N 0 3 310.397 2.920 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000092618208 337906726 /nfs/dbraw/zinc/90/67/26/337906726.db2.gz GASQXZSNPUHBRB-UHFFFAOYSA-N 0 3 301.390 2.825 20 10 DFCDHN COc1cc(O)c(CN2CC(Cc3ccco3)C2)cc1OC ZINC000529648451 340766538 /nfs/dbraw/zinc/76/65/38/340766538.db2.gz FAKQYVLOOWHAMY-UHFFFAOYSA-N 0 3 303.358 2.677 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCc3c2cnn3C)c1 ZINC000273419097 341635682 /nfs/dbraw/zinc/63/56/82/341635682.db2.gz RTYQTGIYXPZVFR-NHYWBVRUSA-N 0 3 301.390 2.863 20 10 DFCDHN CCOC(=O)CC1CC[NH+](Cc2cc(OCC)ccc2[O-])CC1 ZINC000159096456 520615408 /nfs/dbraw/zinc/61/54/08/520615408.db2.gz MFPOAOLYXBOHMT-UHFFFAOYSA-N 0 3 321.417 2.956 20 10 DFCDHN CCN(CC)c1ccc(CN2CC[C@H](OCCOC)C2)cc1 ZINC000188811778 520894476 /nfs/dbraw/zinc/89/44/76/520894476.db2.gz LDPDVSJYTZZPSB-SFHVURJKSA-N 0 3 306.450 2.770 20 10 DFCDHN CCOC1CC(CC[NH2+]Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000187978105 521644454 /nfs/dbraw/zinc/64/44/54/521644454.db2.gz QWPFAMJAIHDNOZ-UHFFFAOYSA-N 0 3 309.406 2.704 20 10 DFCDHN COCC[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265289661 522001405 /nfs/dbraw/zinc/00/14/05/522001405.db2.gz ZBQMSFXKQKZDTE-IBGZPJMESA-N 0 3 315.413 2.936 20 10 DFCDHN COC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C)O1 ZINC000190212271 522868505 /nfs/dbraw/zinc/86/85/05/522868505.db2.gz CQBLTNRTPCEAJE-DZGCQCFKSA-N 0 3 301.386 2.781 20 10 DFCDHN COC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H](C)O1 ZINC000190212271 522868516 /nfs/dbraw/zinc/86/85/16/522868516.db2.gz CQBLTNRTPCEAJE-DZGCQCFKSA-N 0 3 301.386 2.781 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1[O-] ZINC000179849372 524394283 /nfs/dbraw/zinc/39/42/83/524394283.db2.gz ONQCJFFCKNVRLZ-UHFFFAOYSA-N 0 3 303.431 2.869 20 10 DFCDHN Cc1cccc(C[N@H+]2CCCN(c3nccs3)CC2)c1[O-] ZINC000179849372 524394296 /nfs/dbraw/zinc/39/42/96/524394296.db2.gz ONQCJFFCKNVRLZ-UHFFFAOYSA-N 0 3 303.431 2.869 20 10 DFCDHN COc1ccc(O)c(CN[C@@H](C[S@](C)=O)c2ccccc2)c1 ZINC000182101020 524752812 /nfs/dbraw/zinc/75/28/12/524752812.db2.gz OIKBWYKGOZHXNT-AOMKIAJQSA-N 0 3 319.426 2.610 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000182635755 524755345 /nfs/dbraw/zinc/75/53/45/524755345.db2.gz WAYNSAWMAOASHR-XJKSGUPXSA-N 0 3 309.431 2.545 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000182447891 524771613 /nfs/dbraw/zinc/77/16/13/524771613.db2.gz GYZUWOBAJZGPDY-UGSOOPFHSA-N 0 3 301.386 2.959 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000264943674 525345136 /nfs/dbraw/zinc/34/51/36/525345136.db2.gz HMZFYVHRYODRAW-UHFFFAOYSA-N 0 3 318.461 2.825 20 10 DFCDHN COc1ccc([C@H](CCO)NCc2ccc(N(C)C)cc2)cc1 ZINC000128769159 525352794 /nfs/dbraw/zinc/35/27/94/525352794.db2.gz DLTMETFFQZXNSR-IBGZPJMESA-N 0 3 314.429 2.975 20 10 DFCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1)C(=O)N(C)C ZINC000189004972 525531233 /nfs/dbraw/zinc/53/12/33/525531233.db2.gz NCVRAUIXXNVARH-KBPBESRZSA-N 0 3 321.440 2.943 20 10 DFCDHN COc1cccc(CN2CCN(C3CCCCC3)CC2)c1O ZINC000126495529 525945250 /nfs/dbraw/zinc/94/52/50/525945250.db2.gz ZMXPTSPXZGUNHL-UHFFFAOYSA-N 0 3 304.434 2.851 20 10 DFCDHN COc1cccc(CNCc2cccc(OC)c2OC)c1O ZINC000237223813 526025951 /nfs/dbraw/zinc/02/59/51/526025951.db2.gz YYWVFGHETKMTEW-UHFFFAOYSA-N 0 3 303.358 2.708 20 10 DFCDHN COc1cccc(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000267184868 526036925 /nfs/dbraw/zinc/03/69/25/526036925.db2.gz LCDSMFMNTVSFLH-BZNIZROVSA-N 0 3 305.349 2.752 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1[O-] ZINC000191180032 526158215 /nfs/dbraw/zinc/15/82/15/526158215.db2.gz PIGYLXQRPAQMMT-RNCFNFMXSA-N 0 3 314.223 2.666 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1[O-] ZINC000191180032 526158225 /nfs/dbraw/zinc/15/82/25/526158225.db2.gz PIGYLXQRPAQMMT-RNCFNFMXSA-N 0 3 314.223 2.666 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000182943108 526333912 /nfs/dbraw/zinc/33/39/12/526333912.db2.gz XVUPLQILBFQKNV-KRWDZBQOSA-N 0 3 313.397 2.928 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000182943108 526333917 /nfs/dbraw/zinc/33/39/17/526333917.db2.gz XVUPLQILBFQKNV-KRWDZBQOSA-N 0 3 313.397 2.928 20 10 DFCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000364830789 526772418 /nfs/dbraw/zinc/77/24/18/526772418.db2.gz QUIMQWXMEFGHRC-AWEZNQCLSA-N 0 3 318.417 2.578 20 10 DFCDHN Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)no1 ZINC000179999604 526919657 /nfs/dbraw/zinc/91/96/57/526919657.db2.gz LVKNOUYNYDOEMF-AWEZNQCLSA-N 0 3 301.390 2.847 20 10 DFCDHN Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)no1 ZINC000179999604 526919662 /nfs/dbraw/zinc/91/96/62/526919662.db2.gz LVKNOUYNYDOEMF-AWEZNQCLSA-N 0 3 301.390 2.847 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1[O-] ZINC000273140166 535458801 /nfs/dbraw/zinc/45/88/01/535458801.db2.gz OLSRLXSMTPTKBJ-KRWDZBQOSA-N 0 3 315.413 2.874 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])[C@@]12CCCO2 ZINC000274184176 535513242 /nfs/dbraw/zinc/51/32/42/535513242.db2.gz JCUGWPHBNUJCQG-UQCMEYCASA-N 0 3 309.381 2.909 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000368804751 398652222 /nfs/dbraw/zinc/65/22/22/398652222.db2.gz GDJAVOXVXROVFC-CQSZACIVSA-N 0 3 320.458 2.841 20 10 DFCDHN Cc1noc([C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC000091832120 193113879 /nfs/dbraw/zinc/11/38/79/193113879.db2.gz KJOXSVHFSIBUID-OAHLLOKOSA-N 0 3 300.406 2.824 20 10 DFCDHN Cc1ccc(O)c(CN2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000093413520 193246020 /nfs/dbraw/zinc/24/60/20/193246020.db2.gz ZIOBTVHAKZGYRI-MRXNPFEDSA-N 0 3 311.429 2.974 20 10 DFCDHN Cc1cc(C(=O)N2CCCNCC2)c(C)n1-c1ccc(F)cc1 ZINC000178361158 291693365 /nfs/dbraw/zinc/69/33/65/291693365.db2.gz MWOKRCIEEJYQHH-UHFFFAOYSA-N 0 3 315.392 2.669 20 10 DFCDHN CCCN(Cc1ccccc1O)C(=O)CC1CCN(C)CC1 ZINC000273190843 130096671 /nfs/dbraw/zinc/09/66/71/130096671.db2.gz ICFRGVWUWPDEFW-UHFFFAOYSA-N 0 3 304.434 2.863 20 10 DFCDHN C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000273344711 130109457 /nfs/dbraw/zinc/10/94/57/130109457.db2.gz AIZZPGMLYVGWHD-YJYMSZOUSA-N 0 3 319.445 2.709 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000273510230 130131022 /nfs/dbraw/zinc/13/10/22/130131022.db2.gz RNCUDIZURILRAP-QOKNQOGYSA-N 0 3 315.413 2.836 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000273539568 130133888 /nfs/dbraw/zinc/13/38/88/130133888.db2.gz YBANJHQBBVDFQJ-IUODEOHRSA-N 0 3 319.376 2.794 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])[C@]12CCCO2 ZINC000274184169 130214177 /nfs/dbraw/zinc/21/41/77/130214177.db2.gz JCUGWPHBNUJCQG-GLZXHMCRSA-N 0 3 309.381 2.909 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000274406852 130233065 /nfs/dbraw/zinc/23/30/65/130233065.db2.gz LKGUKBFJHJVIKP-UHFFFAOYSA-N 0 3 323.849 2.989 20 10 DFCDHN CC[C@H]([NH2+]CCCOCCOCCOC)c1ccccc1[O-] ZINC000274767542 130261012 /nfs/dbraw/zinc/26/10/12/130261012.db2.gz LRJOOQBSQRTTDX-INIZCTEOSA-N 0 3 311.422 2.503 20 10 DFCDHN CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-])C1CC1 ZINC000275580037 130340659 /nfs/dbraw/zinc/34/06/59/130340659.db2.gz HHCRMMXCQVTBPO-MRXNPFEDSA-N 0 3 306.381 2.507 20 10 DFCDHN CC(=O)N(C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-])C1CC1 ZINC000275580037 130340660 /nfs/dbraw/zinc/34/06/60/130340660.db2.gz HHCRMMXCQVTBPO-MRXNPFEDSA-N 0 3 306.381 2.507 20 10 DFCDHN COc1ccc(N2CCN(C[C@H]3CCSC3)CC2)cc1F ZINC000278441509 130692172 /nfs/dbraw/zinc/69/21/72/130692172.db2.gz LSAAWMJKQWJLBG-CYBMUJFWSA-N 0 3 310.438 2.709 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCCCS(C)(=O)=O)c([O-])c1 ZINC000285084235 131136618 /nfs/dbraw/zinc/13/66/18/131136618.db2.gz JQXALJBHRZZBGM-AWEZNQCLSA-N 0 3 313.463 2.875 20 10 DFCDHN C[C@H]([NH2+]CC(C)(C)OCCO)c1cc2c(cc1[O-])CCCC2 ZINC000287257606 131271336 /nfs/dbraw/zinc/27/13/36/131271336.db2.gz IIEAHSIXGNABRJ-ZDUSSCGKSA-N 0 3 307.434 2.709 20 10 DFCDHN COc1cccc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000289479127 131389733 /nfs/dbraw/zinc/38/97/33/131389733.db2.gz QGXNIDVSVCRUFI-UHFFFAOYSA-N 0 3 302.330 2.907 20 10 DFCDHN CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C12CCOCC2 ZINC000296459088 286290386 /nfs/dbraw/zinc/29/03/86/286290386.db2.gz NSOLWTRELUZFJD-DJIMGWMZSA-N 0 3 317.429 2.943 20 10 DFCDHN COCc1cccc(C[NH2+]Cc2cc3c(cc2[O-])OCO3)c1 ZINC000063256000 425900197 /nfs/dbraw/zinc/90/01/97/425900197.db2.gz CFYAUXZTABZKTE-UHFFFAOYSA-N 0 3 301.342 2.557 20 10 DFCDHN COCc1cccc(CNCc2cc3c(cc2O)OCO3)c1 ZINC000063256000 425900198 /nfs/dbraw/zinc/90/01/98/425900198.db2.gz CFYAUXZTABZKTE-UHFFFAOYSA-N 0 3 301.342 2.557 20 10 DFCDHN C[N@H+](CCC(=O)N1CCc2ccccc21)Cc1ccccc1[O-] ZINC000109772653 426032540 /nfs/dbraw/zinc/03/25/40/426032540.db2.gz YAIVRVHLOSMIEG-UHFFFAOYSA-N 0 3 310.397 2.803 20 10 DFCDHN C[N@@H+](CCC(=O)N1CCc2ccccc21)Cc1ccccc1[O-] ZINC000109772653 426032542 /nfs/dbraw/zinc/03/25/42/426032542.db2.gz YAIVRVHLOSMIEG-UHFFFAOYSA-N 0 3 310.397 2.803 20 10 DFCDHN Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000111236464 426039839 /nfs/dbraw/zinc/03/98/39/426039839.db2.gz WPIFGUOGGOEJQR-QGZVFWFLSA-N 0 3 315.413 2.881 20 10 DFCDHN Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000111236464 426039842 /nfs/dbraw/zinc/03/98/42/426039842.db2.gz WPIFGUOGGOEJQR-QGZVFWFLSA-N 0 3 315.413 2.881 20 10 DFCDHN CCn1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000112097554 426064838 /nfs/dbraw/zinc/06/48/38/426064838.db2.gz KNYQQPLBHSAOTM-HNNXBMFYSA-N 0 3 314.433 2.590 20 10 DFCDHN CC(C)N(C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295961 426012974 /nfs/dbraw/zinc/01/29/74/426012974.db2.gz VKHFGZOPJJFUST-UHFFFAOYSA-N 0 3 317.477 2.879 20 10 DFCDHN CN(C)c1ccc(CNC[C@@](C)(O)c2ccsc2)cc1F ZINC000077460928 426134432 /nfs/dbraw/zinc/13/44/32/426134432.db2.gz BBBFQADJHDUCPA-MRXNPFEDSA-N 0 3 308.422 2.951 20 10 DFCDHN [O-]c1ccccc1C[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000170790711 426151319 /nfs/dbraw/zinc/15/13/19/426151319.db2.gz VGABASBDQUTSNC-HNNXBMFYSA-N 0 3 311.303 2.932 20 10 DFCDHN COc1cccc(CNC(C)(C)C(=O)NCC2CCCC2)c1O ZINC000136044653 426233639 /nfs/dbraw/zinc/23/36/39/426233639.db2.gz PRQJNIQNEFZDHD-UHFFFAOYSA-N 0 3 320.433 2.575 20 10 DFCDHN CCN(CC)c1ccc(CNC[C@@](C)(O)CSC)cc1F ZINC000152294830 426336184 /nfs/dbraw/zinc/33/61/84/426336184.db2.gz AZGMSGZFMCMIGS-MRXNPFEDSA-N 0 3 314.470 2.876 20 10 DFCDHN COc1ccc(OCCN(C)Cc2cccc(OC)c2O)cc1 ZINC000119359196 426282116 /nfs/dbraw/zinc/28/21/16/426282116.db2.gz VDXWMIWSFMIYNJ-UHFFFAOYSA-N 0 3 317.385 2.920 20 10 DFCDHN COc1ccc(OCC[N@H+](C)Cc2cccc(OC)c2[O-])cc1 ZINC000119359196 426282118 /nfs/dbraw/zinc/28/21/18/426282118.db2.gz VDXWMIWSFMIYNJ-UHFFFAOYSA-N 0 3 317.385 2.920 20 10 DFCDHN COc1ccc(OCC[N@@H+](C)Cc2cccc(OC)c2[O-])cc1 ZINC000119359196 426282121 /nfs/dbraw/zinc/28/21/21/426282121.db2.gz VDXWMIWSFMIYNJ-UHFFFAOYSA-N 0 3 317.385 2.920 20 10 DFCDHN CCN(CC)c1ccc(CNC[C@]2(O)CCSC2)cc1F ZINC000176754203 426412017 /nfs/dbraw/zinc/41/20/17/426412017.db2.gz SRVKHRUININIJT-MRXNPFEDSA-N 0 3 312.454 2.630 20 10 DFCDHN COCCOCCN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153986240 426417225 /nfs/dbraw/zinc/41/72/25/426417225.db2.gz WRLSCMQKUWXMOL-INIZCTEOSA-N 0 3 306.450 2.991 20 10 DFCDHN COc1cccc(CN2CCN(C)C[C@H]2c2ccccc2)c1O ZINC000155204740 426466086 /nfs/dbraw/zinc/46/60/86/426466086.db2.gz CSNHBQXVDFVCLJ-KRWDZBQOSA-N 0 3 312.413 2.890 20 10 DFCDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000186356154 426513031 /nfs/dbraw/zinc/51/30/31/426513031.db2.gz YXFLGFYTDVXIBY-HOCLYGCPSA-N 0 3 322.449 2.529 20 10 DFCDHN CCOC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000186462851 426531381 /nfs/dbraw/zinc/53/13/81/426531381.db2.gz UEBKXQZSVQMVNG-DZGCQCFKSA-N 0 3 305.422 2.634 20 10 DFCDHN CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C12CCOCC2 ZINC000186455973 426531820 /nfs/dbraw/zinc/53/18/20/426531820.db2.gz NEVXNQJZOWDNPL-HOTGVXAUSA-N 0 3 309.381 2.595 20 10 DFCDHN C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000177876232 426532344 /nfs/dbraw/zinc/53/23/44/426532344.db2.gz WEGBWPIMMCWHHM-QAPCUYQASA-N 0 3 315.461 2.996 20 10 DFCDHN CN(C)c1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1F ZINC000280132135 426502706 /nfs/dbraw/zinc/50/27/06/426502706.db2.gz OZMYPIFXSLYRBQ-OAHLLOKOSA-N 0 3 302.397 2.792 20 10 DFCDHN CS[C@@H](CO)[C@@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000219069382 426570995 /nfs/dbraw/zinc/57/09/95/426570995.db2.gz OCVJJOWECVLJIR-PBHICJAKSA-N 0 3 308.491 2.879 20 10 DFCDHN C[C@]1(C(N)=O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000280418747 426572718 /nfs/dbraw/zinc/57/27/18/426572718.db2.gz ZATGTEUJJIMDPG-IBGZPJMESA-N 0 3 310.397 2.757 20 10 DFCDHN C[C@]1(C(N)=O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000280418747 426572721 /nfs/dbraw/zinc/57/27/21/426572721.db2.gz ZATGTEUJJIMDPG-IBGZPJMESA-N 0 3 310.397 2.757 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2ccccc2)c1[O-] ZINC000187422691 426659794 /nfs/dbraw/zinc/65/97/94/426659794.db2.gz URLSQHDCDXWVOD-OAHLLOKOSA-N 0 3 321.804 2.747 20 10 DFCDHN CCN1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000227435045 426625322 /nfs/dbraw/zinc/62/53/22/426625322.db2.gz CABXDEKEIYBNNZ-UHFFFAOYSA-N 0 3 313.239 2.729 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000290158975 426705023 /nfs/dbraw/zinc/70/50/23/426705023.db2.gz LRCDTYLUZFROEZ-YOEHRIQHSA-N 0 3 319.788 2.938 20 10 DFCDHN CCCCNC(=O)C1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000179331404 426779705 /nfs/dbraw/zinc/77/97/05/426779705.db2.gz YVUJJZVXVMCGLZ-UHFFFAOYSA-N 0 3 304.434 2.829 20 10 DFCDHN CCN(CC)c1ccc(CNCc2cnn(CCOC)c2)cc1 ZINC000266180794 426722812 /nfs/dbraw/zinc/72/28/12/426722812.db2.gz GFNQHUUMFQYMTN-UHFFFAOYSA-N 0 3 316.449 2.666 20 10 DFCDHN COc1cccc(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1O ZINC000281660818 426738302 /nfs/dbraw/zinc/73/83/02/426738302.db2.gz CIVOYQDMAPLBSI-HZPDHXFCSA-N 0 3 317.360 2.848 20 10 DFCDHN COc1ccc(O)c(CN2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 ZINC000281670629 426740645 /nfs/dbraw/zinc/74/06/45/426740645.db2.gz DHZNRATZMWKJFC-NVXWUHKLSA-N 0 3 317.360 2.848 20 10 DFCDHN Cc1nc(N2CCN(Cc3ccccc3O)CC2)sc1C ZINC000179580470 426802860 /nfs/dbraw/zinc/80/28/60/426802860.db2.gz PHBOKFCIRRCEKN-UHFFFAOYSA-N 0 3 303.431 2.788 20 10 DFCDHN COC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179642147 426808228 /nfs/dbraw/zinc/80/82/28/426808228.db2.gz OMVWYUSGWUTAGD-MAUKXSAKSA-N 0 3 315.413 2.963 20 10 DFCDHN COC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179642147 426808231 /nfs/dbraw/zinc/80/82/31/426808231.db2.gz OMVWYUSGWUTAGD-MAUKXSAKSA-N 0 3 315.413 2.963 20 10 DFCDHN COc1ccc(O)c(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000290832874 426850574 /nfs/dbraw/zinc/85/05/74/426850574.db2.gz HSARZAOQAQPSDD-DLBZAZTESA-N 0 3 303.402 2.934 20 10 DFCDHN COc1cc(O)c(CN2CCC(F)(F)[C@H](C)C2)cc1OC ZINC000291463201 426889116 /nfs/dbraw/zinc/88/91/16/426889116.db2.gz DHPQJPHHKFCKCS-SNVBAGLBSA-N 0 3 301.333 2.887 20 10 DFCDHN COC(=O)c1cnc(SCCCN2CCCCC2)s1 ZINC000295291165 426894441 /nfs/dbraw/zinc/89/44/41/426894441.db2.gz LLNRKNHYTLGFRB-UHFFFAOYSA-N 0 3 300.449 2.898 20 10 DFCDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C)c(C)cc3O)[C@@H]2C1 ZINC000247050152 426897730 /nfs/dbraw/zinc/89/77/30/426897730.db2.gz VFJHCVHWYAFEOB-NUJGCVRESA-N 0 3 305.418 2.777 20 10 DFCDHN COc1cc(O)c(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1OC ZINC000291503086 426900516 /nfs/dbraw/zinc/90/05/16/426900516.db2.gz HPNUNXKHLNZYDW-WMLDXEAASA-N 0 3 321.417 2.799 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1C ZINC000282923200 426933622 /nfs/dbraw/zinc/93/36/22/426933622.db2.gz WALWYLSSMTYRIL-MAUKXSAKSA-N 0 3 319.445 2.666 20 10 DFCDHN Cc1cccc(C(=O)NCC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295950077 427023007 /nfs/dbraw/zinc/02/30/07/427023007.db2.gz LJNSHVQHARLAIE-INIZCTEOSA-N 0 3 310.397 2.708 20 10 DFCDHN CO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000268933792 427139194 /nfs/dbraw/zinc/13/91/94/427139194.db2.gz MRVHZVCVJAZGCN-KBXCAEBGSA-N 0 3 324.440 2.984 20 10 DFCDHN Cc1cc(CN2CCCN(C(=O)C(C)C)CC2)ccc1N(C)C ZINC000292699227 427197365 /nfs/dbraw/zinc/19/73/65/427197365.db2.gz AKAOHKIIVRGSNV-UHFFFAOYSA-N 0 3 317.477 2.751 20 10 DFCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183519532 427283762 /nfs/dbraw/zinc/28/37/62/427283762.db2.gz WRULNFFDCJIWOS-SGTLLEGYSA-N 0 3 317.385 2.794 20 10 DFCDHN COc1ccc(CN[C@H](CO)C[C@@H](O)c2ccccc2)cc1C ZINC000269897730 427301741 /nfs/dbraw/zinc/30/17/41/427301741.db2.gz DYLZQFGYLPUNNU-ZWKOTPCHSA-N 0 3 315.413 2.578 20 10 DFCDHN C[C@@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1[O-] ZINC000183620933 427305154 /nfs/dbraw/zinc/30/51/54/427305154.db2.gz AIOTVDYEOPKIFP-LJHODMEESA-N 0 3 318.461 2.811 20 10 DFCDHN CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC000183654150 427309258 /nfs/dbraw/zinc/30/92/58/427309258.db2.gz LFOGSZXXQASFAO-CHWSQXEVSA-N 0 3 300.406 2.773 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000270240451 427321640 /nfs/dbraw/zinc/32/16/40/427321640.db2.gz CQZQBXJCPPQNEF-SFHVURJKSA-N 0 3 319.376 2.927 20 10 DFCDHN COC(=O)N1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000293613751 427381807 /nfs/dbraw/zinc/38/18/07/427381807.db2.gz GUEPGWLDPPVPDQ-CYBMUJFWSA-N 0 3 306.406 2.890 20 10 DFCDHN CC(C)c1ccc([C@H](N)CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000262501647 427357743 /nfs/dbraw/zinc/35/77/43/427357743.db2.gz HJCINFLIZOSBLG-GOSISDBHSA-N 0 3 311.429 2.751 20 10 DFCDHN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000278779720 427448936 /nfs/dbraw/zinc/44/89/36/427448936.db2.gz VKJJSQXRZXPJDI-KRWDZBQOSA-N 0 3 309.406 2.536 20 10 DFCDHN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000278779720 427448937 /nfs/dbraw/zinc/44/89/37/427448937.db2.gz VKJJSQXRZXPJDI-KRWDZBQOSA-N 0 3 309.406 2.536 20 10 DFCDHN C[C@@H](CN1CCOCC1)[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000278727170 427450123 /nfs/dbraw/zinc/45/01/23/427450123.db2.gz LDBKNSQQENXAPH-HNNXBMFYSA-N 0 3 314.429 2.698 20 10 DFCDHN C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000278727170 427450130 /nfs/dbraw/zinc/45/01/30/427450130.db2.gz LDBKNSQQENXAPH-HNNXBMFYSA-N 0 3 314.429 2.698 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000278795755 427455145 /nfs/dbraw/zinc/45/51/45/427455145.db2.gz YXRAEENEHYOIBB-GJZGRUSLSA-N 0 3 322.449 2.552 20 10 DFCDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297674757 427426014 /nfs/dbraw/zinc/42/60/14/427426014.db2.gz LGVRCSAYCWHRST-UONOGXRCSA-N 0 3 318.417 2.979 20 10 DFCDHN Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccccc3[O-])C2=O)cc1 ZINC000191807500 427428744 /nfs/dbraw/zinc/42/87/44/427428744.db2.gz VMMPJMFFHNTDSW-KRWDZBQOSA-N 0 3 310.397 2.591 20 10 DFCDHN COC(=O)C[C@](C)(NCc1cc(C)ccc1O)c1ccncc1 ZINC000191906281 427445405 /nfs/dbraw/zinc/44/54/05/427445405.db2.gz BUDLTNBVPMIVKO-SFHVURJKSA-N 0 3 314.385 2.664 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@@H](COC)[C@H]2CCCO2)cc1 ZINC000278687809 427447396 /nfs/dbraw/zinc/44/73/96/427447396.db2.gz GTXCHLKUXZZPBO-JCGIZDLHSA-N 0 3 306.450 2.987 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1[O-] ZINC000184680915 427516630 /nfs/dbraw/zinc/51/66/30/427516630.db2.gz MKSNMBZKPUYRSN-GFCCVEGCSA-N 0 3 312.841 2.828 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1[O-] ZINC000184680915 427516637 /nfs/dbraw/zinc/51/66/37/427516637.db2.gz MKSNMBZKPUYRSN-GFCCVEGCSA-N 0 3 312.841 2.828 20 10 DFCDHN Cc1cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)ccc1N(C)C ZINC000294029191 427526093 /nfs/dbraw/zinc/52/60/93/427526093.db2.gz HXVHAIKWESBVEA-FCEWJHQRSA-N 0 3 318.461 2.829 20 10 DFCDHN Cc1cc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)ccc1N(C)C ZINC000294029194 427526615 /nfs/dbraw/zinc/52/66/15/427526615.db2.gz HXVHAIKWESBVEA-FRQCXROJSA-N 0 3 318.461 2.829 20 10 DFCDHN C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1ccccc1[O-] ZINC000279062699 427545232 /nfs/dbraw/zinc/54/52/32/427545232.db2.gz ZESARGGOMAEUNJ-IIYDPXPESA-N 0 3 301.390 2.554 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000192815760 427615435 /nfs/dbraw/zinc/61/54/35/427615435.db2.gz SUGRXFXDRXEEGE-HUUCEWRRSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914262 427563360 /nfs/dbraw/zinc/56/33/60/427563360.db2.gz BOUKXHXHZDSNHY-OWCLPIDISA-N 0 3 306.450 2.851 20 10 DFCDHN CO[C@H](C)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000271809719 427583614 /nfs/dbraw/zinc/58/36/14/427583614.db2.gz AMBZDJDPBHMYAR-SNVBAGLBSA-N 0 3 302.212 2.978 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000271717400 427584648 /nfs/dbraw/zinc/58/46/48/427584648.db2.gz IYMFFHDQHSGLQU-GFCCVEGCSA-N 0 3 317.389 2.512 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000271717400 427584655 /nfs/dbraw/zinc/58/46/55/427584655.db2.gz IYMFFHDQHSGLQU-GFCCVEGCSA-N 0 3 317.389 2.512 20 10 DFCDHN Cc1cc(Br)cc(CN2CCC[C@H](CO)C2)c1O ZINC000271779475 427586776 /nfs/dbraw/zinc/58/67/76/427586776.db2.gz GMTUXXCAPDLQHQ-NSHDSACASA-N 0 3 314.223 2.667 20 10 DFCDHN CC[N@H+](CCCO)Cc1cc(Br)cc(C)c1[O-] ZINC000271792194 427586958 /nfs/dbraw/zinc/58/69/58/427586958.db2.gz JMGVYEPGWWPVQN-UHFFFAOYSA-N 0 3 302.212 2.667 20 10 DFCDHN CC[N@@H+](CCCO)Cc1cc(Br)cc(C)c1[O-] ZINC000271792194 427586963 /nfs/dbraw/zinc/58/69/63/427586963.db2.gz JMGVYEPGWWPVQN-UHFFFAOYSA-N 0 3 302.212 2.667 20 10 DFCDHN COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185098446 427597159 /nfs/dbraw/zinc/59/71/59/427597159.db2.gz QOWCRUQXHMCUJD-BZNIZROVSA-N 0 3 305.349 2.924 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(CO)c(F)c2)c1 ZINC000185121630 427598191 /nfs/dbraw/zinc/59/81/91/427598191.db2.gz OFRFTZDJLFNSLA-LLVKDONJSA-N 0 3 305.349 2.883 20 10 DFCDHN COCCCN1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185314757 427631843 /nfs/dbraw/zinc/63/18/43/427631843.db2.gz RMBWSYGIHCSAER-ZDUSSCGKSA-N 0 3 310.413 2.683 20 10 DFCDHN COCCCN1CCC([NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185314340 427633177 /nfs/dbraw/zinc/63/31/77/427633177.db2.gz HGOQYXMRTMTMTC-OAHLLOKOSA-N 0 3 306.450 2.852 20 10 DFCDHN COCCCN1CCC([NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185314415 427633617 /nfs/dbraw/zinc/63/36/17/427633617.db2.gz SAPIQUPLBJILNZ-AWEZNQCLSA-N 0 3 322.449 2.552 20 10 DFCDHN COc1cccc(CN2CCC[C@H](CC(=O)OC(C)C)C2)c1O ZINC000185579681 427673960 /nfs/dbraw/zinc/67/39/60/427673960.db2.gz QIIHTMMXEPDSEU-CQSZACIVSA-N 0 3 321.417 2.955 20 10 DFCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2[O-])C12CCOCC2 ZINC000185658942 427686362 /nfs/dbraw/zinc/68/63/62/427686362.db2.gz SVBRDEUHAGGOLJ-SJORKVTESA-N 0 3 305.418 2.764 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000185813314 427710665 /nfs/dbraw/zinc/71/06/65/427710665.db2.gz MKMMTPCZHSYABZ-LRDDRELGSA-N 0 3 314.360 2.987 20 10 DFCDHN CC[C@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000279996337 427726800 /nfs/dbraw/zinc/72/68/00/427726800.db2.gz FRMJFCOVCQBCOB-AEFFLSMTSA-N 0 3 319.493 2.767 20 10 DFCDHN CC[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000279996341 427726837 /nfs/dbraw/zinc/72/68/37/427726837.db2.gz FRMJFCOVCQBCOB-FUHWJXTLSA-N 0 3 319.493 2.767 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050716 427744185 /nfs/dbraw/zinc/74/41/85/427744185.db2.gz SRWQBQXFUVCIQT-LSDHHAIUSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050697 427744379 /nfs/dbraw/zinc/74/43/79/427744379.db2.gz SRWQBQXFUVCIQT-HUUCEWRRSA-N 0 3 312.417 2.810 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000186088885 427746996 /nfs/dbraw/zinc/74/69/96/427746996.db2.gz XTIXPFIKKPAPGZ-SWLSCSKDSA-N 0 3 314.429 2.685 20 10 DFCDHN Cc1cccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000371522827 428395259 /nfs/dbraw/zinc/39/52/59/428395259.db2.gz BDQMUGTXKHNTNQ-GOSISDBHSA-N 0 3 301.361 2.933 20 10 DFCDHN Cc1cccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000371522827 428395265 /nfs/dbraw/zinc/39/52/65/428395265.db2.gz BDQMUGTXKHNTNQ-GOSISDBHSA-N 0 3 301.361 2.933 20 10 DFCDHN Oc1cc2c(cc1CN1CC[C@H](O)c3ccccc3C1)OCO2 ZINC000371877514 428406595 /nfs/dbraw/zinc/40/65/95/428406595.db2.gz WVPANIIMWCAOAU-HNNXBMFYSA-N 0 3 313.353 2.560 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000372597433 428470890 /nfs/dbraw/zinc/47/08/90/428470890.db2.gz ZFQTYWPMCZJWSJ-KBPBESRZSA-N 0 3 301.390 2.995 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000372597433 428470896 /nfs/dbraw/zinc/47/08/96/428470896.db2.gz ZFQTYWPMCZJWSJ-KBPBESRZSA-N 0 3 301.390 2.995 20 10 DFCDHN COc1ccc(O)c(CN2CC[C@@H](Oc3cccnc3C)C2)c1 ZINC000372814830 428503895 /nfs/dbraw/zinc/50/38/95/428503895.db2.gz LHNVQYDQRUFHJT-MRXNPFEDSA-N 0 3 314.385 2.758 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](Oc3cccnc3C)C2)c1 ZINC000372814830 428503901 /nfs/dbraw/zinc/50/39/01/428503901.db2.gz LHNVQYDQRUFHJT-MRXNPFEDSA-N 0 3 314.385 2.758 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](Oc3cccnc3C)C2)c1 ZINC000372814830 428503908 /nfs/dbraw/zinc/50/39/08/428503908.db2.gz LHNVQYDQRUFHJT-MRXNPFEDSA-N 0 3 314.385 2.758 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000372597434 428471047 /nfs/dbraw/zinc/47/10/47/428471047.db2.gz ZFQTYWPMCZJWSJ-KGLIPLIRSA-N 0 3 301.390 2.995 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000372597434 428471054 /nfs/dbraw/zinc/47/10/54/428471054.db2.gz ZFQTYWPMCZJWSJ-KGLIPLIRSA-N 0 3 301.390 2.995 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@@H](CC)O[C@@]3(CCOC3)C2)c1 ZINC000373484354 428589300 /nfs/dbraw/zinc/58/93/00/428589300.db2.gz XLDISHDFOGNBEB-QAPCUYQASA-N 0 3 321.417 2.561 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000373601414 428616189 /nfs/dbraw/zinc/61/61/89/428616189.db2.gz NSGXGHHZWRZPIH-MRXNPFEDSA-N 0 3 302.418 2.834 20 10 DFCDHN CCOc1cccc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000373638014 428625279 /nfs/dbraw/zinc/62/52/79/428625279.db2.gz LUMSXLRAUXZKGJ-KSSFIOAISA-N 0 3 321.417 2.561 20 10 DFCDHN Cc1ccc(O)c(CN2CCCN(C(=O)C(C)(C)C)CC2)c1 ZINC000362351458 428715183 /nfs/dbraw/zinc/71/51/83/428715183.db2.gz JVSRUCQFRFDQGN-UHFFFAOYSA-N 0 3 304.434 2.781 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000363264871 428895240 /nfs/dbraw/zinc/89/52/40/428895240.db2.gz SXMGRQFLODMAAK-MRXNPFEDSA-N 0 3 324.852 2.779 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1 ZINC000376520420 429128718 /nfs/dbraw/zinc/12/87/18/429128718.db2.gz KMXSTEVSEQIWNQ-BBRMVZONSA-N 0 3 315.417 2.618 20 10 DFCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCCc3c2cnn3CCO)c1 ZINC000376520420 429128721 /nfs/dbraw/zinc/12/87/21/429128721.db2.gz KMXSTEVSEQIWNQ-BBRMVZONSA-N 0 3 315.417 2.618 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC000364457853 429207671 /nfs/dbraw/zinc/20/76/71/429207671.db2.gz LPGXAPACLKEDSP-CVEARBPZSA-N 0 3 324.852 2.779 20 10 DFCDHN COC(=O)[C@]12CCC[C@@H]1C[N@@H+]([C@H](C)c1cc(OC)ccc1[O-])C2 ZINC000364630385 429239088 /nfs/dbraw/zinc/23/90/88/429239088.db2.gz HCLGRXWFIGSECV-VFVRVIDISA-N 0 3 319.401 2.737 20 10 DFCDHN COC(=O)[C@]12CCC[C@@H]1C[N@H+]([C@H](C)c1cc(OC)ccc1[O-])C2 ZINC000364630385 429239092 /nfs/dbraw/zinc/23/90/92/429239092.db2.gz HCLGRXWFIGSECV-VFVRVIDISA-N 0 3 319.401 2.737 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(C)cc1[O-] ZINC000365581078 429344973 /nfs/dbraw/zinc/34/49/73/429344973.db2.gz LMDFLUSFVXBCHO-WBVHZDCISA-N 0 3 304.434 2.605 20 10 DFCDHN COc1cc(O)c(CN2CCC[C@@]3(CCCCO3)C2)cc1OC ZINC000365737390 429366288 /nfs/dbraw/zinc/36/62/88/429366288.db2.gz PMZIDRCERIGJQF-SFHVURJKSA-N 0 3 321.417 2.945 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCCCO3)C2)cc1OC ZINC000365737390 429366294 /nfs/dbraw/zinc/36/62/94/429366294.db2.gz PMZIDRCERIGJQF-SFHVURJKSA-N 0 3 321.417 2.945 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCCCO3)C2)cc1OC ZINC000365737390 429366299 /nfs/dbraw/zinc/36/62/99/429366299.db2.gz PMZIDRCERIGJQF-SFHVURJKSA-N 0 3 321.417 2.945 20 10 DFCDHN CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000296781447 275777390 /nfs/dbraw/zinc/77/73/90/275777390.db2.gz KUGVZSKOHIZYPZ-KGLIPLIRSA-N 0 3 312.417 2.699 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000367026639 429561524 /nfs/dbraw/zinc/56/15/24/429561524.db2.gz NDBNSGPTJWRWNN-ZDUSSCGKSA-N 0 3 315.373 2.651 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000367026639 429561527 /nfs/dbraw/zinc/56/15/27/429561527.db2.gz NDBNSGPTJWRWNN-ZDUSSCGKSA-N 0 3 315.373 2.651 20 10 DFCDHN C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000367180462 429591487 /nfs/dbraw/zinc/59/14/87/429591487.db2.gz UAQPTVAHUGUVDJ-IAOVAPTHSA-N 0 3 301.434 2.557 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@H]3C(=O)N(C)C[C@H]32)cc1 ZINC000284600337 276341454 /nfs/dbraw/zinc/34/14/54/276341454.db2.gz KXMIDBCIPXORSN-QZTJIDSGSA-N 0 3 315.461 2.585 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC000280584357 276375055 /nfs/dbraw/zinc/37/50/55/276375055.db2.gz WYUZXUPALRHGNC-PMUMKWKESA-N 0 3 321.417 2.559 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CCC[C@H]1N1CCOCC1)c1ccccc1[O-] ZINC000368408311 429844161 /nfs/dbraw/zinc/84/41/61/429844161.db2.gz WPGMKYFVPSZWHP-BPQIPLTHSA-N 0 3 318.461 2.934 20 10 DFCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1C ZINC000369377392 429934034 /nfs/dbraw/zinc/93/40/34/429934034.db2.gz ALESPYWWIDANAK-DAYGRLMNSA-N 0 3 305.418 2.777 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]CC1CC(O)C1 ZINC000529677123 430049937 /nfs/dbraw/zinc/04/99/37/430049937.db2.gz ZZJJBLJECCGPKT-UHFFFAOYSA-N 0 3 313.397 2.832 20 10 DFCDHN C[C@H]([NH2+]CC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000278466014 289948210 /nfs/dbraw/zinc/94/82/10/289948210.db2.gz NCAYNXXQQRJGPJ-LBPRGKRZSA-N 0 3 319.405 2.825 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1[O-] ZINC000527735621 300681886 /nfs/dbraw/zinc/68/18/86/300681886.db2.gz PEYJFPOKQJSLLN-SFHVURJKSA-N 0 3 315.369 2.721 20 10 DFCDHN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCN(C)C ZINC000176382695 333112682 /nfs/dbraw/zinc/11/26/82/333112682.db2.gz NDUHKXINIFLSIQ-UHFFFAOYSA-N 0 3 305.447 2.789 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C[C@H](C)CCCO)c1[O-] ZINC000294681478 335125422 /nfs/dbraw/zinc/12/54/22/335125422.db2.gz BQLJSRZLBXKIPF-SNVBAGLBSA-N 0 3 316.239 2.961 20 10 DFCDHN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000185190066 333205506 /nfs/dbraw/zinc/20/55/06/333205506.db2.gz UCNZYXMKJHNQKY-ZFWWWQNUSA-N 0 3 307.390 2.804 20 10 DFCDHN C[C@H](O)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000187823349 333238399 /nfs/dbraw/zinc/23/83/99/333238399.db2.gz FUVYXAAKTDMFNA-AWEZNQCLSA-N 0 3 301.386 2.784 20 10 DFCDHN C[C@H](O)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000187823349 333238401 /nfs/dbraw/zinc/23/84/01/333238401.db2.gz FUVYXAAKTDMFNA-AWEZNQCLSA-N 0 3 301.386 2.784 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@H](CC)[C@H](O)C(F)F)c([O-])c1 ZINC000295003423 335129879 /nfs/dbraw/zinc/12/98/79/335129879.db2.gz IRDSSHLXOXFHQH-OCCSQVGLSA-N 0 3 303.349 2.675 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190298312 333269580 /nfs/dbraw/zinc/26/95/80/333269580.db2.gz OWXFNDVLWNIQLL-ZFWWWQNUSA-N 0 3 307.390 2.801 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190298312 333269581 /nfs/dbraw/zinc/26/95/81/333269581.db2.gz OWXFNDVLWNIQLL-ZFWWWQNUSA-N 0 3 307.390 2.801 20 10 DFCDHN C[C@@H](N[C@H]1CCCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000295833511 335139851 /nfs/dbraw/zinc/13/98/51/335139851.db2.gz ACNOIJVCNZOJPL-CJNGLKHVSA-N 0 3 319.424 2.745 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000297267932 335152588 /nfs/dbraw/zinc/15/25/88/335152588.db2.gz KMXBYRDCFIZTFG-CVEARBPZSA-N 0 3 306.450 2.506 20 10 DFCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NCCF ZINC000282835879 334137551 /nfs/dbraw/zinc/13/75/51/334137551.db2.gz SLTZDURWIJXEML-LSDHHAIUSA-N 0 3 321.440 2.802 20 10 DFCDHN Cc1cc(CN2C[C@@H](C)OC3(CCOCC3)C2)ccc1N(C)C ZINC000294042987 334204922 /nfs/dbraw/zinc/20/49/22/334204922.db2.gz IVFYVYLVYNGGIX-MRXNPFEDSA-N 0 3 318.461 2.831 20 10 DFCDHN CO[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000295066234 334216735 /nfs/dbraw/zinc/21/67/35/334216735.db2.gz ROMBLYZPWDKADG-SCLBCKFNSA-N 0 3 322.424 2.738 20 10 DFCDHN C[C@H]([NH2+]C[C@H]1CCCN(c2ncccn2)C1)c1ccccc1[O-] ZINC000360338838 336709161 /nfs/dbraw/zinc/70/91/61/336709161.db2.gz VDKSWZLIIFPJCE-LSDHHAIUSA-N 0 3 312.417 2.749 20 10 DFCDHN CN1C(=O)CC[C@H]([NH2+]Cc2ccccc2[O-])[C@H]1c1cccs1 ZINC000367546157 336824807 /nfs/dbraw/zinc/82/48/07/336824807.db2.gz DBQPSJYXQJBQEX-GUYCJALGSA-N 0 3 316.426 2.905 20 10 DFCDHN Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2)nn1 ZINC000371674094 336910455 /nfs/dbraw/zinc/91/04/55/336910455.db2.gz DFRXFMUSWZQUQL-CABCVRRESA-N 0 3 312.417 2.810 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1OC ZINC000373370820 336958385 /nfs/dbraw/zinc/95/83/85/336958385.db2.gz SCLGBYXQFGJNKJ-MSOLQXFVSA-N 0 3 321.417 2.704 20 10 DFCDHN CCOc1cccc(CN[C@]2(CO)CCc3ccccc32)c1O ZINC000305162596 337016633 /nfs/dbraw/zinc/01/66/33/337016633.db2.gz NSTUKSFCNGLGFQ-IBGZPJMESA-N 0 3 313.397 2.715 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)c1 ZINC000375843843 337021135 /nfs/dbraw/zinc/02/11/35/337021135.db2.gz BRXSAIXUWUCWTR-STQMWFEESA-N 0 3 301.390 2.826 20 10 DFCDHN CC[C@H]1CN(Cc2cc(OC)ccc2O)C[C@]2(CCCOC2)O1 ZINC000376440036 337033477 /nfs/dbraw/zinc/03/34/77/337033477.db2.gz DPQUBKKLMGIPPJ-YJBOKZPZSA-N 0 3 321.417 2.561 20 10 DFCDHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cccc(C)c2O)C1 ZINC000377679473 337058199 /nfs/dbraw/zinc/05/81/99/337058199.db2.gz LXMHNYJEYCWGPG-CQSZACIVSA-N 0 3 317.307 2.628 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000377704620 337059105 /nfs/dbraw/zinc/05/91/05/337059105.db2.gz RSMBWYPLLYZATI-CVEARBPZSA-N 0 3 314.433 2.566 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000377704620 337059106 /nfs/dbraw/zinc/05/91/06/337059106.db2.gz RSMBWYPLLYZATI-CVEARBPZSA-N 0 3 314.433 2.566 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@H]2CCn3ccnc3C2)c1 ZINC000377859670 337062726 /nfs/dbraw/zinc/06/27/26/337062726.db2.gz JANDTCWQFNKUBB-AWEZNQCLSA-N 0 3 315.417 2.682 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)c1 ZINC000377859670 337062727 /nfs/dbraw/zinc/06/27/27/337062727.db2.gz JANDTCWQFNKUBB-AWEZNQCLSA-N 0 3 315.417 2.682 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)C[C@@H]2CCn3ccnc3C2)c1 ZINC000377860821 337062963 /nfs/dbraw/zinc/06/29/63/337062963.db2.gz OFMQMGVADRXLEH-ZIAGYGMSSA-N 0 3 315.417 2.853 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)C[C@@H]2CCn3ccnc3C2)c1 ZINC000377860821 337062964 /nfs/dbraw/zinc/06/29/64/337062964.db2.gz OFMQMGVADRXLEH-ZIAGYGMSSA-N 0 3 315.417 2.853 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cc(C)ccc2[O-])n1 ZINC000378348531 337070514 /nfs/dbraw/zinc/07/05/14/337070514.db2.gz FLTRDCBGBLMMGN-KRWDZBQOSA-N 0 3 314.433 2.964 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2Cc2cc(C)ccc2[O-])n1 ZINC000378348531 337070515 /nfs/dbraw/zinc/07/05/15/337070515.db2.gz FLTRDCBGBLMMGN-KRWDZBQOSA-N 0 3 314.433 2.964 20 10 DFCDHN COc1cccc(C[NH+]2CCC(n3ccc(C)n3)CC2)c1[O-] ZINC000378349816 337070658 /nfs/dbraw/zinc/07/06/58/337070658.db2.gz LCWMVUBUYPEBKU-UHFFFAOYSA-N 0 3 301.390 2.743 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000360020018 337083763 /nfs/dbraw/zinc/08/37/63/337083763.db2.gz TWAMNROKUREZFO-UHFFFAOYSA-N 0 3 301.365 2.639 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000360020018 337083764 /nfs/dbraw/zinc/08/37/64/337083764.db2.gz TWAMNROKUREZFO-UHFFFAOYSA-N 0 3 301.365 2.639 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000194261899 337088430 /nfs/dbraw/zinc/08/84/30/337088430.db2.gz VSCBBOQRJYDLBJ-WMZOPIPTSA-N 0 3 319.493 2.623 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)ccc1[O-] ZINC000185553397 337249070 /nfs/dbraw/zinc/24/90/70/337249070.db2.gz TYFOKIBKFPOAKW-JSGCOSHPSA-N 0 3 318.396 2.584 20 10 DFCDHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])CC2 ZINC000185995793 337252409 /nfs/dbraw/zinc/25/24/09/337252409.db2.gz BWNJVFDQUKVJOE-OLZOCXBDSA-N 0 3 300.406 2.520 20 10 DFCDHN CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])CC2 ZINC000185995119 337252530 /nfs/dbraw/zinc/25/25/30/337252530.db2.gz VJUQVYCJZIXISJ-CHWSQXEVSA-N 0 3 300.406 2.520 20 10 DFCDHN COC[C@@]1([NH2+]Cc2cc(C)ccc2[O-])COc2ccccc2C1 ZINC000527802001 337764907 /nfs/dbraw/zinc/76/49/07/337764907.db2.gz XYNORUUMZPXFIM-LJQANCHMSA-N 0 3 313.397 2.811 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2ccc(OC)nc2)c1 ZINC000527991234 337778233 /nfs/dbraw/zinc/77/82/33/337778233.db2.gz UPORHRUCLNISOM-LBPRGKRZSA-N 0 3 302.374 2.698 20 10 DFCDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)C(=O)N1CCCC1 ZINC000528013624 337783616 /nfs/dbraw/zinc/78/36/16/337783616.db2.gz AUNRJHYYLGZLBI-AWEZNQCLSA-N 0 3 302.418 2.618 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c([O-])c1 ZINC000528017656 337784022 /nfs/dbraw/zinc/78/40/22/337784022.db2.gz XSEBDEYTUNTORP-CQSZACIVSA-N 0 3 304.434 3.000 20 10 DFCDHN COc1cc(Cl)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[O-] ZINC000248885164 341389317 /nfs/dbraw/zinc/38/93/17/341389317.db2.gz QBRZRMAJNVXBTN-RISCZKNCSA-N 0 3 310.825 2.723 20 10 DFCDHN COc1cc(Cl)cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1[O-] ZINC000248885164 341389318 /nfs/dbraw/zinc/38/93/18/341389318.db2.gz QBRZRMAJNVXBTN-RISCZKNCSA-N 0 3 310.825 2.723 20 10 DFCDHN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000180015573 518833832 /nfs/dbraw/zinc/83/38/32/518833832.db2.gz OADUZEMKZDEMDX-CYBMUJFWSA-N 0 3 306.406 2.739 20 10 DFCDHN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000180015573 518833837 /nfs/dbraw/zinc/83/38/37/518833837.db2.gz OADUZEMKZDEMDX-CYBMUJFWSA-N 0 3 306.406 2.739 20 10 DFCDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000189402135 520214726 /nfs/dbraw/zinc/21/47/26/520214726.db2.gz GWURXRTYSGVEOV-STQMWFEESA-N 0 3 304.434 2.788 20 10 DFCDHN CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000189402135 520214739 /nfs/dbraw/zinc/21/47/39/520214739.db2.gz GWURXRTYSGVEOV-STQMWFEESA-N 0 3 304.434 2.788 20 10 DFCDHN CCOC(=O)CCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000132325942 520631305 /nfs/dbraw/zinc/63/13/05/520631305.db2.gz IIZYMEOXVVOEOF-UHFFFAOYSA-N 0 3 320.433 2.551 20 10 DFCDHN CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc(O)c1[O-] ZINC000188229901 520641389 /nfs/dbraw/zinc/64/13/89/520641389.db2.gz DUDQBUNIKVITLS-UHFFFAOYSA-N 0 3 308.422 2.538 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1OC ZINC000182623284 522780341 /nfs/dbraw/zinc/78/03/41/522780341.db2.gz BXCMFSMCIUMZRO-AWEZNQCLSA-N 0 3 321.417 2.991 20 10 DFCDHN CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000190489227 523417049 /nfs/dbraw/zinc/41/70/49/523417049.db2.gz IQSSOBIYCIIRQU-KRWDZBQOSA-N 0 3 311.429 2.741 20 10 DFCDHN CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000190489227 523417061 /nfs/dbraw/zinc/41/70/61/523417061.db2.gz IQSSOBIYCIIRQU-KRWDZBQOSA-N 0 3 311.429 2.741 20 10 DFCDHN CN1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1=O ZINC000265718896 524012832 /nfs/dbraw/zinc/01/28/32/524012832.db2.gz ZRMOZAZOJOPXQM-KRWDZBQOSA-N 0 3 310.397 2.770 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000180140544 524741572 /nfs/dbraw/zinc/74/15/72/524741572.db2.gz AWORSFQQHIODRQ-HNNXBMFYSA-N 0 3 301.390 2.743 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000180140544 524741586 /nfs/dbraw/zinc/74/15/86/524741586.db2.gz AWORSFQQHIODRQ-HNNXBMFYSA-N 0 3 301.390 2.743 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000180140544 524741594 /nfs/dbraw/zinc/74/15/94/524741594.db2.gz AWORSFQQHIODRQ-HNNXBMFYSA-N 0 3 301.390 2.743 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)c1 ZINC000191612064 524767045 /nfs/dbraw/zinc/76/70/45/524767045.db2.gz GBPFUNOHCGKGBX-ZBFHGGJFSA-N 0 3 315.413 2.963 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000180014947 524861151 /nfs/dbraw/zinc/86/11/51/524861151.db2.gz MCKARXGRVIDXMI-GFCCVEGCSA-N 0 3 311.809 2.939 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000180014947 524861162 /nfs/dbraw/zinc/86/11/62/524861162.db2.gz MCKARXGRVIDXMI-GFCCVEGCSA-N 0 3 311.809 2.939 20 10 DFCDHN C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000179990287 524967589 /nfs/dbraw/zinc/96/75/89/524967589.db2.gz KCNJVBMIBYWIEG-VBQJREDUSA-N 0 3 322.424 2.605 20 10 DFCDHN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000179990287 524967596 /nfs/dbraw/zinc/96/75/96/524967596.db2.gz KCNJVBMIBYWIEG-VBQJREDUSA-N 0 3 322.424 2.605 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000179891599 525617387 /nfs/dbraw/zinc/61/73/87/525617387.db2.gz GADRYMIITSQGKD-WFASDCNBSA-N 0 3 314.360 2.987 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCOC2)c1[O-] ZINC000180341297 526157386 /nfs/dbraw/zinc/15/73/86/526157386.db2.gz QHAXREAWGWQTQT-NSHDSACASA-N 0 3 314.223 2.979 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+](C)CCn2cccn2)c1[O-] ZINC000180222148 526158007 /nfs/dbraw/zinc/15/80/07/526158007.db2.gz NEQCOLKSXJGZNO-UHFFFAOYSA-N 0 3 324.222 2.792 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+](C)CCn2cccn2)c1[O-] ZINC000180222148 526158018 /nfs/dbraw/zinc/15/80/18/526158018.db2.gz NEQCOLKSXJGZNO-UHFFFAOYSA-N 0 3 324.222 2.792 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191721562 526158384 /nfs/dbraw/zinc/15/83/84/526158384.db2.gz OOADTXIZXQLJFU-PWSUYJOCSA-N 0 3 314.223 2.523 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191721562 526158385 /nfs/dbraw/zinc/15/83/85/526158385.db2.gz OOADTXIZXQLJFU-PWSUYJOCSA-N 0 3 314.223 2.523 20 10 DFCDHN CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)[C@]12CCCO2 ZINC000272681530 535508730 /nfs/dbraw/zinc/50/87/30/535508730.db2.gz NAUDYXSYEWKZOW-RCCFBDPRSA-N 0 3 322.424 2.708 20 10 DFCDHN CC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(C)cc1[O-] ZINC000280101587 535803070 /nfs/dbraw/zinc/80/30/70/535803070.db2.gz NDOPRFHEJPAEAT-MRXNPFEDSA-N 0 3 306.450 2.852 20 10 DFCDHN CN(C)CCc1ccccc1NC(=O)NCc1ccccc1O ZINC000275734270 535931923 /nfs/dbraw/zinc/93/19/23/535931923.db2.gz XTHYXMSOVDIMGI-UHFFFAOYSA-N 0 3 313.401 2.818 20 10 DFCDHN C[C@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC000820431589 606996135 /nfs/dbraw/zinc/99/61/35/606996135.db2.gz GUFQMPLOIXYGDF-ZDUSSCGKSA-N 0 3 322.416 2.784 20 10 DFCDHN C[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000820431589 606996137 /nfs/dbraw/zinc/99/61/37/606996137.db2.gz GUFQMPLOIXYGDF-ZDUSSCGKSA-N 0 3 322.416 2.784 20 10 DFCDHN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092710396 185335797 /nfs/dbraw/zinc/33/57/97/185335797.db2.gz FQQKGXCPYYCXNL-HNNXBMFYSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092710396 185335798 /nfs/dbraw/zinc/33/57/98/185335798.db2.gz FQQKGXCPYYCXNL-HNNXBMFYSA-N 0 3 320.433 2.529 20 10 DFCDHN Cc1nc(C[C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)no1 ZINC000092813661 185343204 /nfs/dbraw/zinc/34/32/04/185343204.db2.gz SBVSITPNVCFVBM-MRXNPFEDSA-N 0 3 314.433 2.899 20 10 DFCDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(N(C)C)cc1)CC2 ZINC000093613066 398642308 /nfs/dbraw/zinc/64/23/08/398642308.db2.gz HEDOOGVOUZXOON-ROUUACIJSA-N 0 3 318.461 2.505 20 10 DFCDHN C[C@H](NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273418135 299272724 /nfs/dbraw/zinc/27/27/24/299272724.db2.gz RKNKJPGSOCQATE-LBPRGKRZSA-N 0 3 319.405 2.825 20 10 DFCDHN Cc1noc([C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC000091832121 193113904 /nfs/dbraw/zinc/11/39/04/193113904.db2.gz KJOXSVHFSIBUID-HNNXBMFYSA-N 0 3 300.406 2.824 20 10 DFCDHN COC(=O)c1ccc(CN(C)Cc2cccc(OC)c2O)cc1 ZINC000091829831 193114731 /nfs/dbraw/zinc/11/47/31/193114731.db2.gz VUWDFYRECRKTKT-UHFFFAOYSA-N 0 3 315.369 2.819 20 10 DFCDHN C[C@@H]([NH2+]CC1CCN(C2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000278466013 296120831 /nfs/dbraw/zinc/12/08/31/296120831.db2.gz NCAYNXXQQRJGPJ-GFCCVEGCSA-N 0 3 319.405 2.825 20 10 DFCDHN CCCO[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000093317588 193230293 /nfs/dbraw/zinc/23/02/93/193230293.db2.gz GZWVJNATIKSTLI-AWEZNQCLSA-N 0 3 307.390 2.902 20 10 DFCDHN CCCO[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000093317588 193230295 /nfs/dbraw/zinc/23/02/95/193230295.db2.gz GZWVJNATIKSTLI-AWEZNQCLSA-N 0 3 307.390 2.902 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1[O-] ZINC000019997122 182175490 /nfs/dbraw/zinc/17/54/90/182175490.db2.gz CHJYDVZWZRDRJL-ZDUSSCGKSA-N 0 3 306.431 2.855 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289520882 285384794 /nfs/dbraw/zinc/38/47/94/285384794.db2.gz HBOFSNLOBSRWPH-ZDUSSCGKSA-N 0 3 307.287 2.811 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289520882 285384795 /nfs/dbraw/zinc/38/47/95/285384795.db2.gz HBOFSNLOBSRWPH-ZDUSSCGKSA-N 0 3 307.287 2.811 20 10 DFCDHN COCC[C@H](NCc1cc2c(cc1O)OCO2)c1ccco1 ZINC000272537110 130038740 /nfs/dbraw/zinc/03/87/40/130038740.db2.gz KRNLRPRTDAGLIH-LBPRGKRZSA-N 0 3 305.330 2.581 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)c([O-])c1 ZINC000272696278 130053927 /nfs/dbraw/zinc/05/39/27/130053927.db2.gz XWIJDVRSRXBFTJ-WMLDXEAASA-N 0 3 304.434 2.707 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@H]32)c([O-])c1 ZINC000272696278 130053930 /nfs/dbraw/zinc/05/39/30/130053930.db2.gz XWIJDVRSRXBFTJ-WMLDXEAASA-N 0 3 304.434 2.707 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c([O-])c1 ZINC000272696279 130054961 /nfs/dbraw/zinc/05/49/61/130054961.db2.gz XWIJDVRSRXBFTJ-YOEHRIQHSA-N 0 3 304.434 2.707 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c([O-])c1 ZINC000272696279 130054965 /nfs/dbraw/zinc/05/49/65/130054965.db2.gz XWIJDVRSRXBFTJ-YOEHRIQHSA-N 0 3 304.434 2.707 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000272877004 130071639 /nfs/dbraw/zinc/07/16/39/130071639.db2.gz PTILTSHSPHQOMX-WMLDXEAASA-N 0 3 310.397 2.844 20 10 DFCDHN CC[C@H](N[C@H](C)c1cc(OC)ccc1O)[C@@H](O)C(F)(F)F ZINC000273343635 130109393 /nfs/dbraw/zinc/10/93/93/130109393.db2.gz ABSUQMJADAXJMM-YDEJPDAXSA-N 0 3 307.312 2.753 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000273361031 130110595 /nfs/dbraw/zinc/11/05/95/130110595.db2.gz AHPQAOQOJZFGPG-INIZCTEOSA-N 0 3 318.461 2.996 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370966 130113054 /nfs/dbraw/zinc/11/30/54/130113054.db2.gz CJWFGNUPUSKCOO-AVGNSLFASA-N 0 3 307.394 2.824 20 10 DFCDHN C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370966 130113056 /nfs/dbraw/zinc/11/30/56/130113056.db2.gz CJWFGNUPUSKCOO-AVGNSLFASA-N 0 3 307.394 2.824 20 10 DFCDHN C[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000273382806 130114073 /nfs/dbraw/zinc/11/40/73/130114073.db2.gz IRPFPVYJDAWWFE-GFCCVEGCSA-N 0 3 323.389 2.656 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c([O-])c1C ZINC000273452861 130124193 /nfs/dbraw/zinc/12/41/93/130124193.db2.gz GKQHTEDQUJZTAG-HUUCEWRRSA-N 0 3 321.417 2.582 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000273470883 130125205 /nfs/dbraw/zinc/12/52/05/130125205.db2.gz JTCYQKFUGCNLTK-TZMCWYRMSA-N 0 3 307.390 2.737 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c([O-])c1 ZINC000273476755 130126911 /nfs/dbraw/zinc/12/69/11/130126911.db2.gz KYWAZBXIRGGEGC-LESCRADOSA-N 0 3 315.413 2.836 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c([O-])c1 ZINC000273511555 130130336 /nfs/dbraw/zinc/13/03/36/130130336.db2.gz RSJJDAQLIGVZNJ-JCGIZDLHSA-N 0 3 318.461 2.729 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c([O-])c1C ZINC000273586881 130140633 /nfs/dbraw/zinc/14/06/33/130140633.db2.gz NZOFFAMTEKOYJY-OWCLPIDISA-N 0 3 306.450 2.769 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](c3cncn3C)C2)cc1C ZINC000275537978 130332593 /nfs/dbraw/zinc/33/25/93/130332593.db2.gz MKKYGVKIJQPEDS-MAUKXSAKSA-N 0 3 315.417 2.752 20 10 DFCDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1[O-] ZINC000284391970 131076258 /nfs/dbraw/zinc/07/62/58/131076258.db2.gz AEVLEQRQFLJKEW-MAUKXSAKSA-N 0 3 314.385 2.806 20 10 DFCDHN COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000284587853 131095147 /nfs/dbraw/zinc/09/51/47/131095147.db2.gz OQMXLWXEKQFSPZ-GJZGRUSLSA-N 0 3 301.386 2.781 20 10 DFCDHN COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000284587853 131095149 /nfs/dbraw/zinc/09/51/49/131095149.db2.gz OQMXLWXEKQFSPZ-GJZGRUSLSA-N 0 3 301.386 2.781 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)c([O-])c1 ZINC000285023708 131131501 /nfs/dbraw/zinc/13/15/01/131131501.db2.gz HMJMWWKYXFDLFN-OAHLLOKOSA-N 0 3 304.434 2.524 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c([O-])c1 ZINC000285081863 131136957 /nfs/dbraw/zinc/13/69/57/131136957.db2.gz JOXVOFYTMNJXND-GJZGRUSLSA-N 0 3 321.417 2.582 20 10 DFCDHN Cc1cc(C)c([C@@H](C)NCCS(=O)(=O)C(C)(C)C)c(O)c1 ZINC000285092799 131137442 /nfs/dbraw/zinc/13/74/42/131137442.db2.gz KBFVUSRMHSGZJB-CYBMUJFWSA-N 0 3 313.463 2.873 20 10 DFCDHN CCNC(=O)C1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CCC1 ZINC000285234267 131149880 /nfs/dbraw/zinc/14/98/80/131149880.db2.gz PKGJLFRXGUDTON-AWEZNQCLSA-N 0 3 304.434 2.966 20 10 DFCDHN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(F)ccc1[O-] ZINC000285544618 131179891 /nfs/dbraw/zinc/17/98/91/131179891.db2.gz DMRZXAVRQRXMPB-LLVKDONJSA-N 0 3 315.410 2.539 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285784784 131202429 /nfs/dbraw/zinc/20/24/29/131202429.db2.gz UVKYOLSOWRQUPG-JDSLSITLSA-N 0 3 320.433 2.745 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CCOC1CCC1)C[C@@H]1CCCO1 ZINC000287958694 131308245 /nfs/dbraw/zinc/30/82/45/131308245.db2.gz YNQNSIYMIFMDDE-KRWDZBQOSA-N 0 3 305.418 2.942 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CCOC1CCC1)C[C@@H]1CCCO1 ZINC000287958694 131308247 /nfs/dbraw/zinc/30/82/47/131308247.db2.gz YNQNSIYMIFMDDE-KRWDZBQOSA-N 0 3 305.418 2.942 20 10 DFCDHN COc1cccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1[O-] ZINC000288654021 131333669 /nfs/dbraw/zinc/33/36/69/131333669.db2.gz VHECGFMVFFCOGO-AWEZNQCLSA-N 0 3 303.333 2.633 20 10 DFCDHN CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000289564011 131396436 /nfs/dbraw/zinc/39/64/36/131396436.db2.gz RZSQJRUHSRUZDZ-AWEZNQCLSA-N 0 3 322.405 2.501 20 10 DFCDHN Cc1cccc2c1OC[C@@H]([NH2+]Cc1cc3c(cc1[O-])OCO3)C2 ZINC000289585022 131397802 /nfs/dbraw/zinc/39/78/02/131397802.db2.gz MPUDKGOWHFVELU-AWEZNQCLSA-N 0 3 313.353 2.523 20 10 DFCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN1C1CC1 ZINC000279606736 542985206 /nfs/dbraw/zinc/98/52/06/542985206.db2.gz WYHJVANJJOMSCY-SFHVURJKSA-N 0 3 313.445 2.530 20 10 DFCDHN COc1cc(CN(C)Cc2cccc(OC)c2O)ccc1O ZINC000125981809 425998827 /nfs/dbraw/zinc/99/88/27/425998827.db2.gz GSRPUKKLQSXNIP-UHFFFAOYSA-N 0 3 303.358 2.747 20 10 DFCDHN COc1ccc(CN(C)Cc2ccccc2O)cc1[N+](=O)[O-] ZINC000109769070 426032055 /nfs/dbraw/zinc/03/20/55/426032055.db2.gz ZQASNRSVWUNUHL-UHFFFAOYSA-N 0 3 302.330 2.941 20 10 DFCDHN C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[O-] ZINC000109769102 426033443 /nfs/dbraw/zinc/03/34/43/426033443.db2.gz JWKHPQVEWNWJBL-UHFFFAOYSA-N 0 3 302.330 2.811 20 10 DFCDHN C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1[O-] ZINC000109769102 426033446 /nfs/dbraw/zinc/03/34/46/426033446.db2.gz JWKHPQVEWNWJBL-UHFFFAOYSA-N 0 3 302.330 2.811 20 10 DFCDHN CCOC(=O)N1CCC([NH2+]Cc2cccc(OCC)c2[O-])CC1 ZINC000074314695 426046357 /nfs/dbraw/zinc/04/63/57/426046357.db2.gz JVANSWLBXJVSOL-UHFFFAOYSA-N 0 3 322.405 2.501 20 10 DFCDHN CC(C)C[C@H](CN(C)C)NC(=O)N(C)Cc1ccccc1O ZINC000079495807 426194559 /nfs/dbraw/zinc/19/45/59/426194559.db2.gz VYOXTAAEWPIIKQ-OAHLLOKOSA-N 0 3 307.438 2.510 20 10 DFCDHN CCCCOCCN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119564071 426297552 /nfs/dbraw/zinc/29/75/52/426297552.db2.gz CMOZGGSNSQPJSA-INIZCTEOSA-N 0 3 306.450 2.991 20 10 DFCDHN CC[C@H](N[C@H]1CCN(C(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000089728993 426304769 /nfs/dbraw/zinc/30/47/69/426304769.db2.gz XGQSWJBZYWGSFF-IRXDYDNUSA-N 0 3 303.450 2.803 20 10 DFCDHN Cc1cc(O)c(CN2CCCN(C(=O)C(C)C)CC2)cc1C ZINC000151922350 426318552 /nfs/dbraw/zinc/31/85/52/426318552.db2.gz WAVLOBHMMKNLJZ-UHFFFAOYSA-N 0 3 304.434 2.699 20 10 DFCDHN Cc1nc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)no1 ZINC000092787553 426353278 /nfs/dbraw/zinc/35/32/78/426353278.db2.gz KEFNGRGUXPSMIX-UHFFFAOYSA-N 0 3 300.406 2.824 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)n1 ZINC000122007813 426356943 /nfs/dbraw/zinc/35/69/43/426356943.db2.gz CNXMMLGTFULWJK-INIZCTEOSA-N 0 3 314.433 2.821 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)n1 ZINC000122007813 426356949 /nfs/dbraw/zinc/35/69/49/426356949.db2.gz CNXMMLGTFULWJK-INIZCTEOSA-N 0 3 314.433 2.821 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](COCCOC)C2)c([O-])c1 ZINC000093755288 426358220 /nfs/dbraw/zinc/35/82/20/426358220.db2.gz YZHJAEYCAWGMRR-HNNXBMFYSA-N 0 3 323.433 2.666 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@H](COCCOC)C2)c([O-])c1 ZINC000093755288 426358221 /nfs/dbraw/zinc/35/82/21/426358221.db2.gz YZHJAEYCAWGMRR-HNNXBMFYSA-N 0 3 323.433 2.666 20 10 DFCDHN CCOc1cccc(CN(C)CCC(=O)OC(C)(C)C)c1O ZINC000093686632 426358278 /nfs/dbraw/zinc/35/82/78/426358278.db2.gz HKFVSHWSHDFHCX-UHFFFAOYSA-N 0 3 309.406 2.955 20 10 DFCDHN CCOc1cccc(C[N@H+](C)CCC(=O)OC(C)(C)C)c1[O-] ZINC000093686632 426358279 /nfs/dbraw/zinc/35/82/79/426358279.db2.gz HKFVSHWSHDFHCX-UHFFFAOYSA-N 0 3 309.406 2.955 20 10 DFCDHN CCOc1cccc(C[N@@H+](C)CCC(=O)OC(C)(C)C)c1[O-] ZINC000093686632 426358281 /nfs/dbraw/zinc/35/82/81/426358281.db2.gz HKFVSHWSHDFHCX-UHFFFAOYSA-N 0 3 309.406 2.955 20 10 DFCDHN CCCNC(=O)C1(NCc2cccc(OC)c2O)CCCCC1 ZINC000154524690 426443530 /nfs/dbraw/zinc/44/35/30/426443530.db2.gz DRAQVWZEFMCCAL-UHFFFAOYSA-N 0 3 320.433 2.720 20 10 DFCDHN CCCNC(=O)C1([NH2+]Cc2cccc(OC)c2[O-])CCCCC1 ZINC000154524690 426443533 /nfs/dbraw/zinc/44/35/33/426443533.db2.gz DRAQVWZEFMCCAL-UHFFFAOYSA-N 0 3 320.433 2.720 20 10 DFCDHN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccc(C)cc2[O-])C1 ZINC000280214420 426522103 /nfs/dbraw/zinc/52/21/03/426522103.db2.gz UIBOCIZCTWEHON-HIFRSBDPSA-N 0 3 305.422 2.545 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000186165653 426489490 /nfs/dbraw/zinc/48/94/90/426489490.db2.gz QJVXVWVBUXFJPV-BFUOFWGJSA-N 0 3 313.397 2.885 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(F)ccc1[O-] ZINC000186172405 426490766 /nfs/dbraw/zinc/49/07/66/426490766.db2.gz AYKZXIGDTVKESU-OCCSQVGLSA-N 0 3 301.365 2.856 20 10 DFCDHN CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CC2 ZINC000186294128 426501158 /nfs/dbraw/zinc/50/11/58/426501158.db2.gz ILKJCEMGFXFQFV-WCQYABFASA-N 0 3 318.396 2.912 20 10 DFCDHN CC[C@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1ccc(C)cc1[O-] ZINC000280065945 426504015 /nfs/dbraw/zinc/50/40/15/426504015.db2.gz KSGSCJHRZGMGFF-INIZCTEOSA-N 0 3 300.402 2.949 20 10 DFCDHN COc1cccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000221045313 426576459 /nfs/dbraw/zinc/57/64/59/426576459.db2.gz UYRCKHDYFTXJGM-UHFFFAOYSA-N 0 3 324.421 2.794 20 10 DFCDHN COC[C@@]1(C[NH2+]Cc2ccccc2[O-])OCCc2ccccc21 ZINC000289836938 426675466 /nfs/dbraw/zinc/67/54/66/426675466.db2.gz MZCUWPIIKDZTJA-LJQANCHMSA-N 0 3 313.397 2.596 20 10 DFCDHN CCCOc1ccc(C[NH2+]CCc2cccnc2OC)c([O-])c1 ZINC000289938380 426677283 /nfs/dbraw/zinc/67/72/83/426677283.db2.gz WSQPSXLMVFQFHM-UHFFFAOYSA-N 0 3 316.401 2.917 20 10 DFCDHN CC(C)[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236714548 426678615 /nfs/dbraw/zinc/67/86/15/426678615.db2.gz NGVLZNFCJKLGBQ-KRWDZBQOSA-N 0 3 303.450 2.619 20 10 DFCDHN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000237567934 426694110 /nfs/dbraw/zinc/69/41/10/426694110.db2.gz QMWXUFNSDXESEE-DNVCBOLYSA-N 0 3 323.440 2.591 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000290266932 426728019 /nfs/dbraw/zinc/72/80/19/426728019.db2.gz XHFVESCXDHBIHJ-UHFFFAOYSA-N 0 3 301.365 2.816 20 10 DFCDHN CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000290299870 426737388 /nfs/dbraw/zinc/73/73/88/426737388.db2.gz YQVBVFSRCPAMMW-WBAXXEDZSA-N 0 3 304.434 2.741 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290409295 426758780 /nfs/dbraw/zinc/75/87/80/426758780.db2.gz JXTMHPUWHKJIFC-SMDDNHRTSA-N 0 3 312.841 2.826 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290409295 426758786 /nfs/dbraw/zinc/75/87/86/426758786.db2.gz JXTMHPUWHKJIFC-SMDDNHRTSA-N 0 3 312.841 2.826 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179558266 426802912 /nfs/dbraw/zinc/80/29/12/426802912.db2.gz DQMOCZLRBFMBHI-HNNXBMFYSA-N 0 3 308.385 2.815 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179558266 426802915 /nfs/dbraw/zinc/80/29/15/426802915.db2.gz DQMOCZLRBFMBHI-HNNXBMFYSA-N 0 3 308.385 2.815 20 10 DFCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179566332 426803195 /nfs/dbraw/zinc/80/31/95/426803195.db2.gz NLZILSDNSNUWEY-GDBMZVCRSA-N 0 3 304.434 2.909 20 10 DFCDHN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179566332 426803201 /nfs/dbraw/zinc/80/32/01/426803201.db2.gz NLZILSDNSNUWEY-GDBMZVCRSA-N 0 3 304.434 2.909 20 10 DFCDHN C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000282189923 426849737 /nfs/dbraw/zinc/84/97/37/426849737.db2.gz GDEVILNONORXIV-GTJPDFRWSA-N 0 3 307.459 2.833 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246001474 426790689 /nfs/dbraw/zinc/79/06/89/426790689.db2.gz RXGRYKOXHGVWGI-SUMWQHHRSA-N 0 3 304.409 2.980 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246001474 426790692 /nfs/dbraw/zinc/79/06/92/426790692.db2.gz RXGRYKOXHGVWGI-SUMWQHHRSA-N 0 3 304.409 2.980 20 10 DFCDHN CCCCN(Cc1cc(=O)c(O)co1)Cc1ccccc1O ZINC000282450441 426914934 /nfs/dbraw/zinc/91/49/34/426914934.db2.gz LUIRBGYOARDGBR-UHFFFAOYSA-N 0 3 303.358 2.853 20 10 DFCDHN CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1[O-] ZINC000282537154 426919244 /nfs/dbraw/zinc/91/92/44/426919244.db2.gz VQCJHEUAEQFZQV-UHFFFAOYSA-N 0 3 318.377 2.799 20 10 DFCDHN CCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1[O-] ZINC000282537154 426919250 /nfs/dbraw/zinc/91/92/50/426919250.db2.gz VQCJHEUAEQFZQV-UHFFFAOYSA-N 0 3 318.377 2.799 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291319678 426882669 /nfs/dbraw/zinc/88/26/69/426882669.db2.gz SLUWINPZAHMDEF-IBGZPJMESA-N 0 3 313.397 2.537 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291319678 426882677 /nfs/dbraw/zinc/88/26/77/426882677.db2.gz SLUWINPZAHMDEF-IBGZPJMESA-N 0 3 313.397 2.537 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291323634 426883419 /nfs/dbraw/zinc/88/34/19/426883419.db2.gz SZZPKQPFHNIDAW-AWEZNQCLSA-N 0 3 314.360 2.735 20 10 DFCDHN Cc1ccc(O)c(CN[C@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291323634 426883423 /nfs/dbraw/zinc/88/34/23/426883423.db2.gz SZZPKQPFHNIDAW-AWEZNQCLSA-N 0 3 314.360 2.735 20 10 DFCDHN CCOc1cccc(CN[C@H]2CCCc3nn(C)cc32)c1O ZINC000283065986 426946017 /nfs/dbraw/zinc/94/60/17/426946017.db2.gz UINSCZIYXNIIKJ-AWEZNQCLSA-N 0 3 301.390 2.692 20 10 DFCDHN CN(c1ccc(CNC(=O)C2(N)CCC2)cc1)C1CCCCC1 ZINC000296084343 427070122 /nfs/dbraw/zinc/07/01/22/427070122.db2.gz QUJJSAVAODUPHW-UHFFFAOYSA-N 0 3 315.461 2.953 20 10 DFCDHN C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268797787 427119850 /nfs/dbraw/zinc/11/98/50/427119850.db2.gz CLHOWXWJKJHWSU-UKRRQHHQSA-N 0 3 319.424 2.697 20 10 DFCDHN COC[C@@H](CCO)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000269007350 427145032 /nfs/dbraw/zinc/14/50/32/427145032.db2.gz LPQFSQBIMWEBBQ-GDBMZVCRSA-N 0 3 324.440 2.864 20 10 DFCDHN Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000269647610 427240514 /nfs/dbraw/zinc/24/05/14/427240514.db2.gz PTIBGGFEWQJTQD-KRWDZBQOSA-N 0 3 315.413 2.881 20 10 DFCDHN Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000269647610 427240518 /nfs/dbraw/zinc/24/05/18/427240518.db2.gz PTIBGGFEWQJTQD-KRWDZBQOSA-N 0 3 315.413 2.881 20 10 DFCDHN C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000183463868 427273786 /nfs/dbraw/zinc/27/37/86/427273786.db2.gz KMYOJRDYFPQJBX-XHSDSOJGSA-N 0 3 306.450 2.932 20 10 DFCDHN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1[O-] ZINC000183505437 427281205 /nfs/dbraw/zinc/28/12/05/427281205.db2.gz XWSPJOIJJGJACP-YOEHRIQHSA-N 0 3 312.413 2.742 20 10 DFCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183610943 427303167 /nfs/dbraw/zinc/30/31/67/427303167.db2.gz NOQNQNNNACOPEO-CYBMUJFWSA-N 0 3 302.374 2.764 20 10 DFCDHN CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297504896 427408395 /nfs/dbraw/zinc/40/83/95/427408395.db2.gz CEVGFEMRIWQBPE-CYBMUJFWSA-N 0 3 306.406 2.884 20 10 DFCDHN CCOc1ccc(O)c(CN[C@@H](CC)[C@H](O)C(F)(F)F)c1 ZINC000270972497 427366363 /nfs/dbraw/zinc/36/63/63/427366363.db2.gz JRXYRPPAGRVTOS-AAEUAGOBSA-N 0 3 307.312 2.582 20 10 DFCDHN COc1cccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278416660 427435952 /nfs/dbraw/zinc/43/59/52/427435952.db2.gz QUJWXYRWFKMLFP-FZMZJTMJSA-N 0 3 319.323 2.536 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@@H](CO)C(C)(C)C)c1[O-] ZINC000278613741 427444780 /nfs/dbraw/zinc/44/47/80/427444780.db2.gz GTJRSOAQQONKAZ-LBPRGKRZSA-N 0 3 316.239 2.960 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000271199120 427445506 /nfs/dbraw/zinc/44/55/06/427445506.db2.gz OVGRJSKKCLZJOU-YJBOKZPZSA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000271199120 427445512 /nfs/dbraw/zinc/44/55/12/427445512.db2.gz OVGRJSKKCLZJOU-YJBOKZPZSA-N 0 3 305.418 2.918 20 10 DFCDHN Cc1cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)ccc1N(C)C ZINC000294125060 427557079 /nfs/dbraw/zinc/55/70/79/427557079.db2.gz NNHOLIXDRLKSSY-IBGZPJMESA-N 0 3 318.461 2.831 20 10 DFCDHN CC(C)C(=O)NCC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000184869421 427557022 /nfs/dbraw/zinc/55/70/22/427557022.db2.gz XAPCIOWTPAULDG-ZDUSSCGKSA-N 0 3 304.434 2.694 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c([O-])c1 ZINC000184915677 427563857 /nfs/dbraw/zinc/56/38/57/427563857.db2.gz UHHPVVSSJPVAIB-WBVHZDCISA-N 0 3 306.450 2.708 20 10 DFCDHN C[C@H](C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2)N1CCOCC1 ZINC000184935583 427566580 /nfs/dbraw/zinc/56/65/80/427566580.db2.gz QKDBKDSGCGOXNW-HUUCEWRRSA-N 0 3 318.461 2.642 20 10 DFCDHN C[C@H](C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)N1CCOCC1 ZINC000184935537 427567010 /nfs/dbraw/zinc/56/70/10/427567010.db2.gz QKDBKDSGCGOXNW-CABCVRRESA-N 0 3 318.461 2.642 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000271803080 427584980 /nfs/dbraw/zinc/58/49/80/427584980.db2.gz JHYMEKHWDLRRGG-QGZVFWFLSA-N 0 3 305.349 2.537 20 10 DFCDHN Cc1cccc(C[N@H+](C)C[C@H]2CCCN2c2cccnn2)c1[O-] ZINC000271719783 427585035 /nfs/dbraw/zinc/58/50/35/427585035.db2.gz JJVWEGZEUBXLOY-MRXNPFEDSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2c2cccnn2)c1[O-] ZINC000271719783 427585043 /nfs/dbraw/zinc/58/50/43/427585043.db2.gz JJVWEGZEUBXLOY-MRXNPFEDSA-N 0 3 312.417 2.591 20 10 DFCDHN CC(=O)NC1CCC([NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000271909285 427592194 /nfs/dbraw/zinc/59/21/94/427592194.db2.gz XOZMBAJCICQQIG-UHFFFAOYSA-N 0 3 310.825 2.891 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000185127627 427600311 /nfs/dbraw/zinc/60/03/11/427600311.db2.gz RXWOBUUUQQWZBE-UKRRQHHQSA-N 0 3 319.376 2.930 20 10 DFCDHN CC[C@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccccc1[O-] ZINC000294775919 427657540 /nfs/dbraw/zinc/65/75/40/427657540.db2.gz KRRSTYOMPWKBIJ-INIZCTEOSA-N 0 3 323.433 2.645 20 10 DFCDHN CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193075823 427661384 /nfs/dbraw/zinc/66/13/84/427661384.db2.gz PIACDOXKJVSUJD-UHFFFAOYSA-N 0 3 320.433 2.682 20 10 DFCDHN CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193075823 427661390 /nfs/dbraw/zinc/66/13/90/427661390.db2.gz PIACDOXKJVSUJD-UHFFFAOYSA-N 0 3 320.433 2.682 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000279439865 427672725 /nfs/dbraw/zinc/67/27/25/427672725.db2.gz OZCSZOOOWZBTFW-ZDUSSCGKSA-N 0 3 312.841 2.507 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000279439865 427672729 /nfs/dbraw/zinc/67/27/29/427672729.db2.gz OZCSZOOOWZBTFW-ZDUSSCGKSA-N 0 3 312.841 2.507 20 10 DFCDHN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000185788441 427705329 /nfs/dbraw/zinc/70/53/29/427705329.db2.gz NCEHINUDWWRWMQ-CJNGLKHVSA-N 0 3 316.445 2.933 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000186021872 427740698 /nfs/dbraw/zinc/74/06/98/427740698.db2.gz LJZCPTFKYQLDTJ-ZYHUDNBSSA-N 0 3 316.323 2.514 20 10 DFCDHN CC(C)N1CC[C@@H](N[C@H](C)c2cc3c(cc2O)CCCC3)C1=O ZINC000186048420 427743612 /nfs/dbraw/zinc/74/36/12/427743612.db2.gz OQDYMFQWABEXEC-CXAGYDPISA-N 0 3 316.445 2.931 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(SC)CCOCC2)c1 ZINC000186080996 427745316 /nfs/dbraw/zinc/74/53/16/427745316.db2.gz MVZLJPONAWSZJG-LBPRGKRZSA-N 0 3 311.447 2.964 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1[O-] ZINC000359977110 428101784 /nfs/dbraw/zinc/10/17/84/428101784.db2.gz VNXFFJDLMPYAPA-BXUZGUMPSA-N 0 3 310.825 2.580 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c1[O-] ZINC000359977110 428101791 /nfs/dbraw/zinc/10/17/91/428101791.db2.gz VNXFFJDLMPYAPA-BXUZGUMPSA-N 0 3 310.825 2.580 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000370212095 428157619 /nfs/dbraw/zinc/15/76/19/428157619.db2.gz HBQXJYMEXCTUHH-GDBMZVCRSA-N 0 3 300.406 2.847 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000370212095 428157624 /nfs/dbraw/zinc/15/76/24/428157624.db2.gz HBQXJYMEXCTUHH-GDBMZVCRSA-N 0 3 300.406 2.847 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1[O-] ZINC000370351540 428191096 /nfs/dbraw/zinc/19/10/96/428191096.db2.gz PWMNEUAAQWSVDQ-XIRDDKMYSA-N 0 3 304.434 2.686 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1[O-] ZINC000360338836 428258397 /nfs/dbraw/zinc/25/83/97/428258397.db2.gz VDKSWZLIIFPJCE-GJZGRUSLSA-N 0 3 312.417 2.749 20 10 DFCDHN Cc1nc(C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)n[nH]1 ZINC000371422118 428388039 /nfs/dbraw/zinc/38/80/39/428388039.db2.gz AWAWFORKGFLEMQ-UHFFFAOYSA-N 0 3 317.412 2.698 20 10 DFCDHN Cc1n[nH]c(C2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000371422118 428388045 /nfs/dbraw/zinc/38/80/45/428388045.db2.gz AWAWFORKGFLEMQ-UHFFFAOYSA-N 0 3 317.412 2.698 20 10 DFCDHN Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)n1 ZINC000371414867 428389376 /nfs/dbraw/zinc/38/93/76/428389376.db2.gz MSTCXADRTGUCEP-MRXNPFEDSA-N 0 3 300.406 2.746 20 10 DFCDHN Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)n1 ZINC000371414867 428389380 /nfs/dbraw/zinc/38/93/80/428389380.db2.gz MSTCXADRTGUCEP-MRXNPFEDSA-N 0 3 300.406 2.746 20 10 DFCDHN COc1cc(O)c(CN2CCC(c3cn[nH]c3)CC2)cc1OC ZINC000371416715 428390075 /nfs/dbraw/zinc/39/00/75/428390075.db2.gz HWRGQMRPKJZSNL-UHFFFAOYSA-N 0 3 317.389 2.512 20 10 DFCDHN COc1cc([O-])c(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1OC ZINC000371416715 428390080 /nfs/dbraw/zinc/39/00/80/428390080.db2.gz HWRGQMRPKJZSNL-UHFFFAOYSA-N 0 3 317.389 2.512 20 10 DFCDHN C[C@H]([NH2+]C[C@H]1CCC[C@@H]1N1CCOCC1)c1ccccc1[O-] ZINC000371681555 428400005 /nfs/dbraw/zinc/40/00/05/428400005.db2.gz ROQGURLERIANNP-UXLLHSPISA-N 0 3 304.434 2.544 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c([O-])c1C ZINC000371877218 428406912 /nfs/dbraw/zinc/40/69/12/428406912.db2.gz UBKIBIQBQAVBKZ-HUUCEWRRSA-N 0 3 314.433 2.672 20 10 DFCDHN COC(=O)c1ccc(CNCc2ccc3c(c2)CCN3C)cc1 ZINC000372410305 428443295 /nfs/dbraw/zinc/44/32/95/428443295.db2.gz BBZWFJVORUCDFD-UHFFFAOYSA-N 0 3 310.397 2.755 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000372412927 428443928 /nfs/dbraw/zinc/44/39/28/428443928.db2.gz CFZMSAAHCNDTGL-GOSISDBHSA-N 0 3 315.461 2.730 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000372413469 428444695 /nfs/dbraw/zinc/44/46/95/428444695.db2.gz LVOWIDSZOFLQPP-MRXNPFEDSA-N 0 3 302.418 2.678 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1 ZINC000372413469 428444700 /nfs/dbraw/zinc/44/47/00/428444700.db2.gz LVOWIDSZOFLQPP-MRXNPFEDSA-N 0 3 302.418 2.678 20 10 DFCDHN COc1cccc(CN2CC[C@@H](Oc3cccnc3C)C2)c1O ZINC000372817178 428502841 /nfs/dbraw/zinc/50/28/41/428502841.db2.gz XWCOQZUBRFGVEO-OAHLLOKOSA-N 0 3 314.385 2.758 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2ccccc2[O-])n1 ZINC000361052168 428533219 /nfs/dbraw/zinc/53/32/19/428533219.db2.gz MAZCRLPZJBCQEN-MRXNPFEDSA-N 0 3 300.406 2.655 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCCC[N@H+]2Cc2ccccc2[O-])n1 ZINC000361052168 428533226 /nfs/dbraw/zinc/53/32/26/428533226.db2.gz MAZCRLPZJBCQEN-MRXNPFEDSA-N 0 3 300.406 2.655 20 10 DFCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H]2C2CC2)cc1 ZINC000373974599 428658562 /nfs/dbraw/zinc/65/85/62/428658562.db2.gz ZXZLLGHGDYWPCN-GOSISDBHSA-N 0 3 315.461 2.585 20 10 DFCDHN CN1CCC2(CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)C1=O ZINC000373915874 428655123 /nfs/dbraw/zinc/65/51/23/428655123.db2.gz AYLDSYLWMSMCBS-UHFFFAOYSA-N 0 3 324.424 2.990 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000362234557 428669777 /nfs/dbraw/zinc/66/97/77/428669777.db2.gz IBOPLXYSAHODBF-SJORKVTESA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000362234557 428669782 /nfs/dbraw/zinc/66/97/82/428669782.db2.gz IBOPLXYSAHODBF-SJORKVTESA-N 0 3 302.418 2.676 20 10 DFCDHN CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@]3(C(=O)OC)C2)c1[O-] ZINC000374682894 428730527 /nfs/dbraw/zinc/73/05/27/428730527.db2.gz NBFDKXBNMIHNHV-KDOFPFPSSA-N 0 3 319.401 2.566 20 10 DFCDHN CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@]3(C(=O)OC)C2)c1[O-] ZINC000374682894 428730532 /nfs/dbraw/zinc/73/05/32/428730532.db2.gz NBFDKXBNMIHNHV-KDOFPFPSSA-N 0 3 319.401 2.566 20 10 DFCDHN C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2c([O-])ccc3ccccc32)CC1=O ZINC000363415895 428912337 /nfs/dbraw/zinc/91/23/37/428912337.db2.gz YUXQAOXKLXTYFY-HACGYAERSA-N 0 3 310.397 2.644 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccnc(-n3ccnc3)c2)c1 ZINC000363855267 429000899 /nfs/dbraw/zinc/00/08/99/429000899.db2.gz NIQYJILHWRRGBN-ZDUSSCGKSA-N 0 3 324.384 2.832 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC3(CC2)SCC(=O)N3C)cc1C ZINC000363872800 429132106 /nfs/dbraw/zinc/13/21/06/429132106.db2.gz ABKTYPTUJSCPSS-UHFFFAOYSA-N 0 3 320.458 2.506 20 10 DFCDHN Cc1ccc(O)c(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364325353 429183467 /nfs/dbraw/zinc/18/34/67/429183467.db2.gz BTBYIKOMPFJOLC-CQSZACIVSA-N 0 3 316.361 2.642 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364325353 429183471 /nfs/dbraw/zinc/18/34/71/429183471.db2.gz BTBYIKOMPFJOLC-CQSZACIVSA-N 0 3 316.361 2.642 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364325353 429183474 /nfs/dbraw/zinc/18/34/74/429183474.db2.gz BTBYIKOMPFJOLC-CQSZACIVSA-N 0 3 316.361 2.642 20 10 DFCDHN c1ncn([C@@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000364514823 429217867 /nfs/dbraw/zinc/21/78/67/429217867.db2.gz ZIXDJSSMILNHSS-GOSISDBHSA-N 0 3 311.433 2.715 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1[O-] ZINC000366455864 429456733 /nfs/dbraw/zinc/45/67/33/429456733.db2.gz UYUPTGBMJVQEKJ-HIFRSBDPSA-N 0 3 300.406 2.656 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1[O-] ZINC000366455865 429456879 /nfs/dbraw/zinc/45/68/79/429456879.db2.gz UYUPTGBMJVQEKJ-UKRRQHHQSA-N 0 3 300.406 2.656 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1[O-] ZINC000366455866 429457085 /nfs/dbraw/zinc/45/70/85/429457085.db2.gz UYUPTGBMJVQEKJ-ZFWWWQNUSA-N 0 3 300.406 2.656 20 10 DFCDHN O=C(NCc1ccccc1O)[C@@H]1CCCCN1C1CCCC1 ZINC000367395328 429641129 /nfs/dbraw/zinc/64/11/29/429641129.db2.gz WMJBRSRLWOKDKU-INIZCTEOSA-N 0 3 302.418 2.806 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](C[C@@H]3CCOC3)C1)OCO2 ZINC000367395733 429641173 /nfs/dbraw/zinc/64/11/73/429641173.db2.gz DACSADOAVPXLCV-KBPBESRZSA-N 0 3 319.401 2.760 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](C[C@@H]3CCOC3)C1)OCO2 ZINC000367395733 429641175 /nfs/dbraw/zinc/64/11/75/429641175.db2.gz DACSADOAVPXLCV-KBPBESRZSA-N 0 3 319.401 2.760 20 10 DFCDHN Cc1cc(CN2CCC([N@H+](C)Cc3ccccc3[O-])CC2)on1 ZINC000367444653 429649555 /nfs/dbraw/zinc/64/95/55/429649555.db2.gz HXAUMMQXMRYLPD-UHFFFAOYSA-N 0 3 315.417 2.785 20 10 DFCDHN Cc1cc(CN2CCC([N@@H+](C)Cc3ccccc3[O-])CC2)on1 ZINC000367444653 429649558 /nfs/dbraw/zinc/64/95/58/429649558.db2.gz HXAUMMQXMRYLPD-UHFFFAOYSA-N 0 3 315.417 2.785 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1C ZINC000367669262 429695443 /nfs/dbraw/zinc/69/54/43/429695443.db2.gz RLVCVUHQEPZLJF-CQSZACIVSA-N 0 3 312.417 2.761 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1C ZINC000367669262 429695446 /nfs/dbraw/zinc/69/54/46/429695446.db2.gz RLVCVUHQEPZLJF-CQSZACIVSA-N 0 3 312.417 2.761 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000367803076 429720521 /nfs/dbraw/zinc/72/05/21/429720521.db2.gz QSWHEHPQJSLRJG-GDBMZVCRSA-N 0 3 310.397 2.844 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000368047059 429775154 /nfs/dbraw/zinc/77/51/54/429775154.db2.gz ZRBFJYXDPQUNKD-GLJUWKHASA-N 0 3 321.417 2.732 20 10 DFCDHN CCn1nncc1CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000527920708 429821022 /nfs/dbraw/zinc/82/10/22/429821022.db2.gz RAJBGRIHNWCZBT-GFCCVEGCSA-N 0 3 300.406 2.733 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2ccc(OC)nc2)c1 ZINC000527991232 429832304 /nfs/dbraw/zinc/83/23/04/429832304.db2.gz UPORHRUCLNISOM-GFCCVEGCSA-N 0 3 302.374 2.698 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC000368795288 429894193 /nfs/dbraw/zinc/89/41/93/429894193.db2.gz FBTBXKRMRIOAKE-BPQIPLTHSA-N 0 3 318.461 2.886 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC000368795288 429894196 /nfs/dbraw/zinc/89/41/96/429894196.db2.gz FBTBXKRMRIOAKE-BPQIPLTHSA-N 0 3 318.461 2.886 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1C ZINC000369098391 429912921 /nfs/dbraw/zinc/91/29/21/429912921.db2.gz DARWZKXPKBOUIZ-KRWDZBQOSA-N 0 3 315.417 2.678 20 10 DFCDHN COc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cc1F ZINC000662637867 431146279 /nfs/dbraw/zinc/14/62/79/431146279.db2.gz KBAVEMYNWZICAM-UHFFFAOYSA-N 0 3 314.360 2.757 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2[O-])n1 ZINC000363519991 293247413 /nfs/dbraw/zinc/24/74/13/293247413.db2.gz NKVPHEQXYMLNRD-KRWDZBQOSA-N 0 3 314.433 2.882 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cc(C)c(C)cc2[O-])n1 ZINC000363519991 293247415 /nfs/dbraw/zinc/24/74/15/293247415.db2.gz NKVPHEQXYMLNRD-KRWDZBQOSA-N 0 3 314.433 2.882 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1[O-] ZINC000527752638 300685188 /nfs/dbraw/zinc/68/51/88/300685188.db2.gz PTULPTODQFESPD-INIZCTEOSA-N 0 3 304.434 2.897 20 10 DFCDHN CN(C)CCN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1 ZINC000255712533 331792269 /nfs/dbraw/zinc/79/22/69/331792269.db2.gz HEFXFBZBIIUXBB-HJWRWDBZSA-N 0 3 313.376 2.829 20 10 DFCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCOCCO ZINC000293574520 335109286 /nfs/dbraw/zinc/10/92/86/335109286.db2.gz DRHZYEVYZYNQDA-GOSISDBHSA-N 0 3 315.413 2.665 20 10 DFCDHN Cc1ccc(O)c(CN[C@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293635334 335113632 /nfs/dbraw/zinc/11/36/32/335113632.db2.gz LTMNMXYEZAFJLX-QGZVFWFLSA-N 0 3 300.402 2.945 20 10 DFCDHN C[C@H](NCCC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000178199474 333004612 /nfs/dbraw/zinc/00/46/12/333004612.db2.gz CAIQDYXUNRDRLL-HNNXBMFYSA-N 0 3 303.450 2.806 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294904328 335130292 /nfs/dbraw/zinc/13/02/92/335130292.db2.gz XNZGVIXGYJKRRN-ZDUSSCGKSA-N 0 3 320.433 2.514 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294904328 335130294 /nfs/dbraw/zinc/13/02/94/335130294.db2.gz XNZGVIXGYJKRRN-ZDUSSCGKSA-N 0 3 320.433 2.514 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1[O-] ZINC000184685981 333364476 /nfs/dbraw/zinc/36/44/76/333364476.db2.gz AITUBBPSRBJQLV-CQSZACIVSA-N 0 3 310.825 2.724 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[O-] ZINC000184703150 333364841 /nfs/dbraw/zinc/36/48/41/333364841.db2.gz RIARCGSRYMQMQH-WFASDCNBSA-N 0 3 324.852 2.970 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[O-] ZINC000184703150 333364842 /nfs/dbraw/zinc/36/48/42/333364842.db2.gz RIARCGSRYMQMQH-WFASDCNBSA-N 0 3 324.852 2.970 20 10 DFCDHN C[C@H](N[C@H]1CCCNC1=O)c1ccc(N2CCCCC2)c(F)c1 ZINC000295833505 335139948 /nfs/dbraw/zinc/13/99/48/335139948.db2.gz ACNOIJVCNZOJPL-BBRMVZONSA-N 0 3 319.424 2.745 20 10 DFCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1c1ccccc1 ZINC000296275195 335142868 /nfs/dbraw/zinc/14/28/68/335142868.db2.gz CAIGPRJUZUPDGO-CVEARBPZSA-N 0 3 308.381 2.775 20 10 DFCDHN C[C@H](N[C@H]1CCCNC1=O)c1ccc(N2CCCCCC2)cc1 ZINC000296373449 335143824 /nfs/dbraw/zinc/14/38/24/335143824.db2.gz JGVUYYGKZYVCQH-YJBOKZPZSA-N 0 3 315.461 2.996 20 10 DFCDHN C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000297340840 335153249 /nfs/dbraw/zinc/15/32/49/335153249.db2.gz OMRDCCODMOKOJK-ABAIWWIYSA-N 0 3 307.340 2.925 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000273459307 334046804 /nfs/dbraw/zinc/04/68/04/334046804.db2.gz HUTPZSIGKQQJCY-HZMBPMFUSA-N 0 3 315.373 2.630 20 10 DFCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc(F)ccc1[O-] ZINC000273475376 334048116 /nfs/dbraw/zinc/04/81/16/334048116.db2.gz KPFDNMGAWRDXQJ-BJOOFOGMSA-N 0 3 322.424 2.560 20 10 DFCDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(OC)c(C)c1 ZINC000275512821 334071703 /nfs/dbraw/zinc/07/17/03/334071703.db2.gz KJVOMOKJRFUQLZ-RDJZCZTQSA-N 0 3 315.417 2.840 20 10 DFCDHN C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1cc(F)ccc1[O-] ZINC000278886460 334103090 /nfs/dbraw/zinc/10/30/90/334103090.db2.gz DDDMOJSLTBCVJF-BWACUDIHSA-N 0 3 319.380 2.693 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)cc1OC ZINC000295081686 334217864 /nfs/dbraw/zinc/21/78/64/334217864.db2.gz SCXAOUAULQQJOM-MRXNPFEDSA-N 0 3 309.406 2.656 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)cc1OC ZINC000295081686 334217865 /nfs/dbraw/zinc/21/78/65/334217865.db2.gz SCXAOUAULQQJOM-MRXNPFEDSA-N 0 3 309.406 2.656 20 10 DFCDHN COc1cc(O)c(CN2CC[C@@H](OC)C(C)(C)C2)cc1OC ZINC000295081686 334217866 /nfs/dbraw/zinc/21/78/66/334217866.db2.gz SCXAOUAULQQJOM-MRXNPFEDSA-N 0 3 309.406 2.656 20 10 DFCDHN COCCOc1ncccc1CN[C@H]1CCc2cccc(O)c21 ZINC000296092139 334229951 /nfs/dbraw/zinc/22/99/51/334229951.db2.gz TVDJFRJYLFNRHZ-HNNXBMFYSA-N 0 3 314.385 2.590 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1cn3c(n1)SCC3)CC2 ZINC000296389692 334233220 /nfs/dbraw/zinc/23/32/20/334233220.db2.gz JTCYEEOVQMGUAC-CYBMUJFWSA-N 0 3 301.415 2.514 20 10 DFCDHN CC[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccccc1[O-] ZINC000192710747 336259121 /nfs/dbraw/zinc/25/91/21/336259121.db2.gz OTZMOHXYOVIEKV-INIZCTEOSA-N 0 3 312.417 2.892 20 10 DFCDHN CCOCc1cc(CN[C@@H]2CCc3nccn3C2)ccc1OC ZINC000368847358 336853871 /nfs/dbraw/zinc/85/38/71/336853871.db2.gz YBQNLRYZOLTQDB-MRXNPFEDSA-N 0 3 315.417 2.533 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2N2CCOCC2)c1 ZINC000371868796 336915202 /nfs/dbraw/zinc/91/52/02/336915202.db2.gz CCNGNPCDWIPUKO-JZXOWHBKSA-N 0 3 318.461 2.852 20 10 DFCDHN CCc1nnc2n1C[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])CC2 ZINC000373848187 336974417 /nfs/dbraw/zinc/97/44/17/336974417.db2.gz BELKQKDXMVUIKI-HIFRSBDPSA-N 0 3 314.433 2.910 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(C)cc1[O-] ZINC000375661088 337015946 /nfs/dbraw/zinc/01/59/46/337015946.db2.gz BDEDXLIRUZWDOK-JZXOWHBKSA-N 0 3 318.461 2.995 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000376005271 337025089 /nfs/dbraw/zinc/02/50/89/337025089.db2.gz VQFUQZGZHKRBFG-ZBFHGGJFSA-N 0 3 302.418 2.581 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(CCCOC)CC1 ZINC000377614022 337056125 /nfs/dbraw/zinc/05/61/25/337056125.db2.gz GSSSYQZLHHZSPK-QGZVFWFLSA-N 0 3 306.450 2.888 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(CCCOC)CC1 ZINC000377614022 337056126 /nfs/dbraw/zinc/05/61/26/337056126.db2.gz GSSSYQZLHHZSPK-QGZVFWFLSA-N 0 3 306.450 2.888 20 10 DFCDHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cccc(C)c2O)C1 ZINC000377679470 337058222 /nfs/dbraw/zinc/05/82/22/337058222.db2.gz LXMHNYJEYCWGPG-AWEZNQCLSA-N 0 3 317.307 2.628 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000377704623 337059148 /nfs/dbraw/zinc/05/91/48/337059148.db2.gz RSMBWYPLLYZATI-JKSUJKDBSA-N 0 3 314.433 2.566 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000377704623 337059149 /nfs/dbraw/zinc/05/91/49/337059149.db2.gz RSMBWYPLLYZATI-JKSUJKDBSA-N 0 3 314.433 2.566 20 10 DFCDHN CCOc1cccc(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)c1[O-] ZINC000377857734 337062794 /nfs/dbraw/zinc/06/27/94/337062794.db2.gz UIEUPMQXODDEDP-CQSZACIVSA-N 0 3 315.417 2.682 20 10 DFCDHN CCOc1cccc(C[N@@H+](C)C[C@@H]2CCn3ccnc3C2)c1[O-] ZINC000377857734 337062795 /nfs/dbraw/zinc/06/27/95/337062795.db2.gz UIEUPMQXODDEDP-CQSZACIVSA-N 0 3 315.417 2.682 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000378127994 337066856 /nfs/dbraw/zinc/06/68/56/337066856.db2.gz HHVOAQVWQNSIDN-MRXNPFEDSA-N 0 3 313.825 2.895 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000378127994 337066857 /nfs/dbraw/zinc/06/68/57/337066857.db2.gz HHVOAQVWQNSIDN-MRXNPFEDSA-N 0 3 313.825 2.895 20 10 DFCDHN CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2[O-])C[C@@H]1N1CCOCC1 ZINC000378340891 337070318 /nfs/dbraw/zinc/07/03/18/337070318.db2.gz IXQPJAHJJQVUGG-WMZOPIPTSA-N 0 3 318.461 2.552 20 10 DFCDHN CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2[O-])C[C@@H]1N1CCOCC1 ZINC000378340891 337070319 /nfs/dbraw/zinc/07/03/19/337070319.db2.gz IXQPJAHJJQVUGG-WMZOPIPTSA-N 0 3 318.461 2.552 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@H]2c2cnn(C)c2C)c1 ZINC000378441794 337072719 /nfs/dbraw/zinc/07/27/19/337072719.db2.gz IBDCYTIKMJBBRP-INIZCTEOSA-N 0 3 301.390 2.780 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378442460 337072797 /nfs/dbraw/zinc/07/27/97/337072797.db2.gz NVOZVXNFAWRUHH-IRXDYDNUSA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378442460 337072798 /nfs/dbraw/zinc/07/27/98/337072798.db2.gz NVOZVXNFAWRUHH-IRXDYDNUSA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(CN3CCCC3=O)CC2)c1[O-] ZINC000378444697 337072990 /nfs/dbraw/zinc/07/29/90/337072990.db2.gz QWLBCSYUWIWYCN-UHFFFAOYSA-N 0 3 302.418 2.535 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c([O-])c1 ZINC000194261482 337089474 /nfs/dbraw/zinc/08/94/74/337089474.db2.gz YRYLGKBHLHLTQB-AEFFLSMTSA-N 0 3 319.493 2.623 20 10 DFCDHN O=C(CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)N1CCCC1 ZINC000179944525 337172633 /nfs/dbraw/zinc/17/26/33/337172633.db2.gz KNGDMSBDFSTHSK-UHFFFAOYSA-N 0 3 320.408 2.756 20 10 DFCDHN CN[C@@H](CC(C)(C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000449362334 338617824 /nfs/dbraw/zinc/61/78/24/338617824.db2.gz LCLGQBKBFAKSQM-AWEZNQCLSA-N 0 3 319.449 2.502 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1 ZINC000237204396 340668944 /nfs/dbraw/zinc/66/89/44/340668944.db2.gz XUYBBQOGGMPTOR-QGZVFWFLSA-N 0 3 300.402 2.793 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC(c3ncc[nH]3)CC2)c1O ZINC000267430787 518285367 /nfs/dbraw/zinc/28/53/67/518285367.db2.gz DADNBNXCBMUNIJ-UHFFFAOYSA-N 0 3 317.364 2.837 20 10 DFCDHN CC(=O)c1cc(F)cc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1[O-] ZINC000267430787 518285371 /nfs/dbraw/zinc/28/53/71/518285371.db2.gz DADNBNXCBMUNIJ-UHFFFAOYSA-N 0 3 317.364 2.837 20 10 DFCDHN CCOc1cccc(CN[C@H](CC)[C@@H](O)C(F)(F)F)c1O ZINC000270863279 521376978 /nfs/dbraw/zinc/37/69/78/521376978.db2.gz DQXFROYIRMIRCF-ZWNOBZJWSA-N 0 3 307.312 2.582 20 10 DFCDHN CN(C)c1ccc(CN2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000363842197 522178029 /nfs/dbraw/zinc/17/80/29/522178029.db2.gz BRSRTUWSJSGICI-QGZVFWFLSA-N 0 3 318.461 2.770 20 10 DFCDHN CCc1nc([C@H]2CCCN(Cc3cc(OC)ccc3O)C2)no1 ZINC000367748577 522461989 /nfs/dbraw/zinc/46/19/89/522461989.db2.gz JFONGYSUSWPDAJ-LBPRGKRZSA-N 0 3 317.389 2.726 20 10 DFCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000190431796 523562123 /nfs/dbraw/zinc/56/21/23/523562123.db2.gz BNEMRHXUNAEDEN-RDJZCZTQSA-N 0 3 315.417 2.927 20 10 DFCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C[C@H]1C ZINC000188101480 523962493 /nfs/dbraw/zinc/96/24/93/523962493.db2.gz DAKRWXYYWJLGJM-RISCZKNCSA-N 0 3 311.809 2.985 20 10 DFCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C[C@H]1C ZINC000188101480 523962497 /nfs/dbraw/zinc/96/24/97/523962497.db2.gz DAKRWXYYWJLGJM-RISCZKNCSA-N 0 3 311.809 2.985 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000179986980 524747621 /nfs/dbraw/zinc/74/76/21/524747621.db2.gz FQNDTESRJHYGHL-AWEZNQCLSA-N 0 3 313.401 2.730 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000179986980 524747629 /nfs/dbraw/zinc/74/76/29/524747629.db2.gz FQNDTESRJHYGHL-AWEZNQCLSA-N 0 3 313.401 2.730 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000182635775 524756456 /nfs/dbraw/zinc/75/64/56/524756456.db2.gz WAYNSAWMAOASHR-CJNGLKHVSA-N 0 3 309.431 2.545 20 10 DFCDHN C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccc(N2CCCCC2)cc1 ZINC000180491648 525485071 /nfs/dbraw/zinc/48/50/71/525485071.db2.gz LWXUJLQTOJDOTQ-VQIMIIECSA-N 0 3 317.477 2.658 20 10 DFCDHN COc1cccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000179963078 525950406 /nfs/dbraw/zinc/95/04/06/525950406.db2.gz ALWRNFJZCMPIFV-CYBMUJFWSA-N 0 3 307.390 2.564 20 10 DFCDHN Oc1cc2c(cc1CN[C@H]1CCOc3c(F)cccc31)OCO2 ZINC000191119372 526337020 /nfs/dbraw/zinc/33/70/20/526337020.db2.gz XSXNGVCGILIZRV-ZDUSSCGKSA-N 0 3 317.316 2.873 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000180283981 526349852 /nfs/dbraw/zinc/34/98/52/526349852.db2.gz RXGRYKOXHGVWGI-CXAGYDPISA-N 0 3 304.409 2.980 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000180283981 526349858 /nfs/dbraw/zinc/34/98/58/526349858.db2.gz RXGRYKOXHGVWGI-CXAGYDPISA-N 0 3 304.409 2.980 20 10 DFCDHN CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2)[C@]12CCCO2 ZINC000272690523 535508570 /nfs/dbraw/zinc/50/85/70/535508570.db2.gz PIWXJNNKTFMECV-RCCFBDPRSA-N 0 3 304.434 2.569 20 10 DFCDHN COc1cc(O)c(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000272390431 536855978 /nfs/dbraw/zinc/85/59/78/536855978.db2.gz HBFAPOBDDHYLIT-HIFRSBDPSA-N 0 3 323.433 2.638 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000272390431 536855981 /nfs/dbraw/zinc/85/59/81/536855981.db2.gz HBFAPOBDDHYLIT-HIFRSBDPSA-N 0 3 323.433 2.638 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000272390431 536855988 /nfs/dbraw/zinc/85/59/88/536855988.db2.gz HBFAPOBDDHYLIT-HIFRSBDPSA-N 0 3 323.433 2.638 20 10 DFCDHN COc1cc(O)c(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000272390430 536856678 /nfs/dbraw/zinc/85/66/78/536856678.db2.gz HBFAPOBDDHYLIT-DZGCQCFKSA-N 0 3 323.433 2.638 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000272390430 536856680 /nfs/dbraw/zinc/85/66/80/536856680.db2.gz HBFAPOBDDHYLIT-DZGCQCFKSA-N 0 3 323.433 2.638 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000272390430 536856684 /nfs/dbraw/zinc/85/66/84/536856684.db2.gz HBFAPOBDDHYLIT-DZGCQCFKSA-N 0 3 323.433 2.638 20 10 DFCDHN COCCOCCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000079396274 185168972 /nfs/dbraw/zinc/16/89/72/185168972.db2.gz UTTARNGFFAVPDT-UHFFFAOYSA-N 0 3 306.450 2.772 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000092482972 185321295 /nfs/dbraw/zinc/32/12/95/185321295.db2.gz KYKDJZHMEUMSMW-UHFFFAOYSA-N 0 3 303.431 2.869 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000092482972 185321296 /nfs/dbraw/zinc/32/12/96/185321296.db2.gz KYKDJZHMEUMSMW-UHFFFAOYSA-N 0 3 303.431 2.869 20 10 DFCDHN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000092705924 185334781 /nfs/dbraw/zinc/33/47/81/185334781.db2.gz IBOOKTWHAUWQLW-KRWDZBQOSA-N 0 3 317.477 2.737 20 10 DFCDHN CCCC(=O)N[C@@H]1CCCN(Cc2cc(OCC)ccc2O)C1 ZINC000092708608 185335356 /nfs/dbraw/zinc/33/53/56/185335356.db2.gz FQTILMRDONFXNK-OAHLLOKOSA-N 0 3 320.433 2.672 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1[O-] ZINC000092814129 185343642 /nfs/dbraw/zinc/34/36/42/185343642.db2.gz UYPRXEDGWNURRJ-ZDUSSCGKSA-N 0 3 317.389 2.547 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1[O-] ZINC000092814129 185343643 /nfs/dbraw/zinc/34/36/43/185343643.db2.gz UYPRXEDGWNURRJ-ZDUSSCGKSA-N 0 3 317.389 2.547 20 10 DFCDHN COc1cccc(CN2CCC[C@@H](Cc3noc(C)n3)C2)c1O ZINC000092814129 185343644 /nfs/dbraw/zinc/34/36/44/185343644.db2.gz UYPRXEDGWNURRJ-ZDUSSCGKSA-N 0 3 317.389 2.547 20 10 DFCDHN CN(C)c1ccc(CN2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000093362545 398634710 /nfs/dbraw/zinc/63/47/10/398634710.db2.gz XKIHFDXHGJKWTR-GOSISDBHSA-N 0 3 315.461 2.730 20 10 DFCDHN CCOc1cccc(CN2CCc3ccccc3[C@H]2CO)c1O ZINC000093455404 398638032 /nfs/dbraw/zinc/63/80/32/398638032.db2.gz DOUFRSCJMWSDIC-QGZVFWFLSA-N 0 3 313.397 2.883 20 10 DFCDHN CCOc1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000093865925 398647658 /nfs/dbraw/zinc/64/76/58/398647658.db2.gz PBLZRCYISZMWGZ-MRXNPFEDSA-N 0 3 314.385 2.839 20 10 DFCDHN COc1ccc(O)c(CN[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000089726464 192850839 /nfs/dbraw/zinc/85/08/39/192850839.db2.gz LVRZSMJFLMZWBI-VERVWZFWSA-N 0 3 319.426 2.989 20 10 DFCDHN Cc1noc(C2CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000091833513 193113827 /nfs/dbraw/zinc/11/38/27/193113827.db2.gz GKYLPHZLKHFMIT-UHFFFAOYSA-N 0 3 300.406 2.824 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1[O-] ZINC000091832632 193114203 /nfs/dbraw/zinc/11/42/03/193114203.db2.gz CTPQRRNAWHYTIS-CQSZACIVSA-N 0 3 317.389 2.862 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c1[O-] ZINC000091832632 193114205 /nfs/dbraw/zinc/11/42/05/193114205.db2.gz CTPQRRNAWHYTIS-CQSZACIVSA-N 0 3 317.389 2.862 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000091960742 193132425 /nfs/dbraw/zinc/13/24/25/193132425.db2.gz RAKZWRMIHATPCG-ZFWWWQNUSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1[O-] ZINC000091960742 193132427 /nfs/dbraw/zinc/13/24/27/193132427.db2.gz RAKZWRMIHATPCG-ZFWWWQNUSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1ccc([C@H](CO)N(C)Cc2cc(C)ccc2O)cc1 ZINC000093415721 193246475 /nfs/dbraw/zinc/24/64/75/193246475.db2.gz MBXYWBOFJFCNSN-KRWDZBQOSA-N 0 3 301.386 2.875 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000060358329 184146666 /nfs/dbraw/zinc/14/66/66/184146666.db2.gz UIOOXBQBRZJJPS-HNNXBMFYSA-N 0 3 305.349 2.753 20 10 DFCDHN COCCOCCC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273391084 130116255 /nfs/dbraw/zinc/11/62/55/130116255.db2.gz KRHASCLJAKSEOK-CQSZACIVSA-N 0 3 307.434 2.975 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccco2)c([O-])c1C ZINC000273419103 130118723 /nfs/dbraw/zinc/11/87/23/130118723.db2.gz RUEBKGVAYAFQEQ-ZDUSSCGKSA-N 0 3 302.374 2.683 20 10 DFCDHN C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CN1CCCC1 ZINC000273420178 130119253 /nfs/dbraw/zinc/11/92/53/130119253.db2.gz RYYWDOBGRACTEM-STQMWFEESA-N 0 3 307.394 2.683 20 10 DFCDHN C[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCCC1 ZINC000273420178 130119255 /nfs/dbraw/zinc/11/92/55/130119255.db2.gz RYYWDOBGRACTEM-STQMWFEESA-N 0 3 307.394 2.683 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c([O-])c1C ZINC000273452860 130124338 /nfs/dbraw/zinc/12/43/38/130124338.db2.gz GKQHTEDQUJZTAG-GJZGRUSLSA-N 0 3 321.417 2.582 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c([O-])c1C ZINC000273568777 130139126 /nfs/dbraw/zinc/13/91/26/130139126.db2.gz KFVOMTBDDHCKAX-OAHLLOKOSA-N 0 3 306.450 2.770 20 10 DFCDHN C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cc(F)ccc1[O-] ZINC000273598167 130141868 /nfs/dbraw/zinc/14/18/68/130141868.db2.gz RFGOKZWDXVAJFN-CQSZACIVSA-N 0 3 322.424 2.827 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c([O-])c1C ZINC000273604708 130142942 /nfs/dbraw/zinc/14/29/42/130142942.db2.gz SWCXHZDQBSYWJJ-CJNGLKHVSA-N 0 3 306.450 2.628 20 10 DFCDHN CCCOc1ccc(C[N@H+](C)CCc2cnccn2)c([O-])c1 ZINC000273694630 130154737 /nfs/dbraw/zinc/15/47/37/130154737.db2.gz BXLQWNXOYPRSJH-UHFFFAOYSA-N 0 3 301.390 2.646 20 10 DFCDHN CCCOc1ccc(C[N@@H+](C)CCc2cnccn2)c([O-])c1 ZINC000273694630 130154738 /nfs/dbraw/zinc/15/47/38/130154738.db2.gz BXLQWNXOYPRSJH-UHFFFAOYSA-N 0 3 301.390 2.646 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])[C@]12CCCO2 ZINC000274215006 130216965 /nfs/dbraw/zinc/21/69/65/130216965.db2.gz NJICUPTZWMVGCF-QRVDHSFSSA-N 0 3 321.417 2.778 20 10 DFCDHN CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000274596576 130249540 /nfs/dbraw/zinc/24/95/40/130249540.db2.gz GMAFRJDUEMBCBC-ZIAGYGMSSA-N 0 3 306.406 2.890 20 10 DFCDHN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000275530743 130330040 /nfs/dbraw/zinc/33/00/40/130330040.db2.gz LXKCUSRNSPQQGN-HOCLYGCPSA-N 0 3 301.390 2.537 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c([O-])c1 ZINC000285081870 131136703 /nfs/dbraw/zinc/13/67/03/131136703.db2.gz JOXVOFYTMNJXND-LSDHHAIUSA-N 0 3 321.417 2.582 20 10 DFCDHN CC[C@H]([NH2+]C1CCN(CCCOC)CC1)c1ccccc1[O-] ZINC000155578497 425921393 /nfs/dbraw/zinc/92/13/93/425921393.db2.gz UJVUKNOOGKVRFB-KRWDZBQOSA-N 0 3 306.450 2.934 20 10 DFCDHN O=C(CCC[NH2+]Cc1ccccc1[O-])N1Cc2ccccc2C1 ZINC000111405663 426048760 /nfs/dbraw/zinc/04/87/60/426048760.db2.gz QEGYVLFZOVVXLE-UHFFFAOYSA-N 0 3 310.397 2.804 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000126145818 426006969 /nfs/dbraw/zinc/00/69/69/426006969.db2.gz QMWWACCMBRIAMH-UHFFFAOYSA-N 0 3 304.434 2.872 20 10 DFCDHN CN(C)c1ccc(CNC[C@@H](O)c2ccc(F)cc2)cc1F ZINC000113318432 426111535 /nfs/dbraw/zinc/11/15/35/426111535.db2.gz UPUCDJLGJXXAEY-QGZVFWFLSA-N 0 3 306.356 2.854 20 10 DFCDHN CN(C)c1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000113343793 426112541 /nfs/dbraw/zinc/11/25/41/426112541.db2.gz RAMVZQWKMYSRKY-HNNXBMFYSA-N 0 3 319.449 2.852 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1C ZINC000128558157 426122516 /nfs/dbraw/zinc/12/25/16/426122516.db2.gz XPBYRNBSBQOYCH-HNNXBMFYSA-N 0 3 300.406 2.513 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1C ZINC000128558157 426122518 /nfs/dbraw/zinc/12/25/18/426122518.db2.gz XPBYRNBSBQOYCH-HNNXBMFYSA-N 0 3 300.406 2.513 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[NH+]2CCCC2)c1[O-] ZINC000079414869 426192322 /nfs/dbraw/zinc/19/23/22/426192322.db2.gz NCVIFABVYBUQLE-INIZCTEOSA-N 0 3 320.408 2.794 20 10 DFCDHN CC(C)(NCc1ccc2c(c1)CCO2)C(=O)NCC1CCCC1 ZINC000136030297 426233536 /nfs/dbraw/zinc/23/35/36/426233536.db2.gz VLLRAQPKISVZJA-UHFFFAOYSA-N 0 3 316.445 2.796 20 10 DFCDHN COCCCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866335 426246814 /nfs/dbraw/zinc/24/68/14/426246814.db2.gz ZLWJJUDJFHNGBX-UHFFFAOYSA-N 0 3 310.413 2.773 20 10 DFCDHN CC[C@@H](N[C@@H](C)CS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000089636622 426300041 /nfs/dbraw/zinc/30/00/41/426300041.db2.gz IVROLALFKPNLAJ-XJKSGUPXSA-N 0 3 312.479 2.617 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC(n3cncn3)CC2)cc1 ZINC000092648216 426350706 /nfs/dbraw/zinc/35/07/06/426350706.db2.gz BPLYOFQWFFJNIQ-UHFFFAOYSA-N 0 3 313.449 2.961 20 10 DFCDHN C[C@@](CO)([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000152772943 426353503 /nfs/dbraw/zinc/35/35/03/426353503.db2.gz NTLZAVFGCIFUPV-KRWDZBQOSA-N 0 3 307.390 2.542 20 10 DFCDHN Oc1ccc2ccccc2c1CN1CCO[C@H](Cn2cccn2)C1 ZINC000152814444 426355265 /nfs/dbraw/zinc/35/52/65/426355265.db2.gz ZKZGLTCCICFPTJ-INIZCTEOSA-N 0 3 323.396 2.643 20 10 DFCDHN CCOc1cccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)c1[O-] ZINC000093639031 426358270 /nfs/dbraw/zinc/35/82/70/426358270.db2.gz ZEKGEENYDNRFEN-GDBMZVCRSA-N 0 3 306.450 2.953 20 10 DFCDHN CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)c1[O-] ZINC000093639031 426358272 /nfs/dbraw/zinc/35/82/72/426358272.db2.gz ZEKGEENYDNRFEN-GDBMZVCRSA-N 0 3 306.450 2.953 20 10 DFCDHN CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000176985307 426430492 /nfs/dbraw/zinc/43/04/92/426430492.db2.gz YDUZRTOKJQKQFK-GFCCVEGCSA-N 0 3 308.397 2.829 20 10 DFCDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000186532310 426544518 /nfs/dbraw/zinc/54/45/18/426544518.db2.gz FGFPEMAOCHNWPF-OOPCZODUSA-N 0 3 314.223 2.880 20 10 DFCDHN CN(C)c1ccc(CNC2(CO)CCC2)c(C(F)(F)F)c1 ZINC000280332936 426552182 /nfs/dbraw/zinc/55/21/82/426552182.db2.gz QDZXAFBFFAGLOC-UHFFFAOYSA-N 0 3 302.340 2.776 20 10 DFCDHN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186223883 426494822 /nfs/dbraw/zinc/49/48/22/426494822.db2.gz DQCVVQFAJILMLF-GFCCVEGCSA-N 0 3 304.434 2.694 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280075772 426502134 /nfs/dbraw/zinc/50/21/34/426502134.db2.gz LKJGTTLTCUJDAU-NVXWUHKLSA-N 0 3 306.450 2.710 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000280434129 426575947 /nfs/dbraw/zinc/57/59/47/426575947.db2.gz JVGJFYGRTNNLKJ-AWEZNQCLSA-N 0 3 321.417 2.561 20 10 DFCDHN [O-]c1ccccc1C[NH2+]CCCCn1cc(Br)cn1 ZINC000280588399 426609195 /nfs/dbraw/zinc/60/91/95/426609195.db2.gz NALDOFMAIZUQFE-UHFFFAOYSA-N 0 3 324.222 2.921 20 10 DFCDHN Cc1cc(Br)cc(CN2C[C@H](O)C(C)(C)C2)c1O ZINC000280356657 426558759 /nfs/dbraw/zinc/55/87/59/426558759.db2.gz CHHPJEKVUFABAH-LBPRGKRZSA-N 0 3 314.223 2.666 20 10 DFCDHN CO[C@H](C)C[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000289866845 426674799 /nfs/dbraw/zinc/67/47/99/426674799.db2.gz VPMVRRTXPUQFQH-SNVBAGLBSA-N 0 3 302.212 2.930 20 10 DFCDHN CO[C@H](C)C[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000289866845 426674806 /nfs/dbraw/zinc/67/48/06/426674806.db2.gz VPMVRRTXPUQFQH-SNVBAGLBSA-N 0 3 302.212 2.930 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000290158955 426704373 /nfs/dbraw/zinc/70/43/73/426704373.db2.gz LRCDTYLUZFROEZ-PBHICJAKSA-N 0 3 319.788 2.938 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCOC2)c1[O-] ZINC000290207761 426718386 /nfs/dbraw/zinc/71/83/86/426718386.db2.gz QFMSZLDUFDHLSM-LBPRGKRZSA-N 0 3 300.196 2.732 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC3(CCOCC3)C1)OCO2 ZINC000266047502 426721352 /nfs/dbraw/zinc/72/13/52/426721352.db2.gz CEYWPZWWPYAJOV-UHFFFAOYSA-N 0 3 305.374 2.514 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCCC3(CCOCC3)C1)OCO2 ZINC000266047502 426721357 /nfs/dbraw/zinc/72/13/57/426721357.db2.gz CEYWPZWWPYAJOV-UHFFFAOYSA-N 0 3 305.374 2.514 20 10 DFCDHN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H](N)c1ccccc1 ZINC000237448409 426691980 /nfs/dbraw/zinc/69/19/80/426691980.db2.gz WQWMXIPDSGMYJX-KBXCAEBGSA-N 0 3 311.429 2.705 20 10 DFCDHN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@@H](N)c1ccccc1 ZINC000237618206 426694499 /nfs/dbraw/zinc/69/44/99/426694499.db2.gz WQWMXIPDSGMYJX-RDTXWAMCSA-N 0 3 311.429 2.705 20 10 DFCDHN C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000237588459 426694680 /nfs/dbraw/zinc/69/46/80/426694680.db2.gz QMWXUFNSDXESEE-BEFAXECRSA-N 0 3 323.440 2.591 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000290525181 426784872 /nfs/dbraw/zinc/78/48/72/426784872.db2.gz ZCVJCKYVTPKWJZ-GEWABHDNSA-N 0 3 315.369 2.546 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@H]2COc3ccccc3[C@H]2O)c1 ZINC000290525181 426784875 /nfs/dbraw/zinc/78/48/75/426784875.db2.gz ZCVJCKYVTPKWJZ-GEWABHDNSA-N 0 3 315.369 2.546 20 10 DFCDHN COc1cccc(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1O ZINC000281660816 426737450 /nfs/dbraw/zinc/73/74/50/426737450.db2.gz CIVOYQDMAPLBSI-HOTGVXAUSA-N 0 3 317.360 2.848 20 10 DFCDHN COc1ccc(O)c(CN2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 ZINC000281670633 426740383 /nfs/dbraw/zinc/74/03/83/426740383.db2.gz DHZNRATZMWKJFC-RDJZCZTQSA-N 0 3 317.360 2.848 20 10 DFCDHN CCN(CC)c1ccc(CN2CCCN(C(C)=O)CC2)cc1 ZINC000179816426 426820034 /nfs/dbraw/zinc/82/00/34/426820034.db2.gz RQRRDWLZUCTPBV-UHFFFAOYSA-N 0 3 303.450 2.587 20 10 DFCDHN Oc1cc2c(cc1CN1CC3(CCC3)[C@H]1[C@H]1CCCO1)OCO2 ZINC000290947661 426870149 /nfs/dbraw/zinc/87/01/49/426870149.db2.gz QKQNXNLTYWBBNV-RHSMWYFYSA-N 0 3 317.385 2.654 20 10 DFCDHN C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282432640 426913171 /nfs/dbraw/zinc/91/31/71/426913171.db2.gz RJNSIGQXLGUMOO-DYVFJYSZSA-N 0 3 310.397 2.816 20 10 DFCDHN CCOc1ccc(O)c(CN[C@@H]2CCCc3nn(C)cc32)c1 ZINC000282943919 426935042 /nfs/dbraw/zinc/93/50/42/426935042.db2.gz IZNFYHGGALXALC-OAHLLOKOSA-N 0 3 301.390 2.692 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]CCc2nnc(C)s2)c1[O-] ZINC000291637731 426935564 /nfs/dbraw/zinc/93/55/64/426935564.db2.gz SXPHTZOULCBGKZ-UHFFFAOYSA-N 0 3 313.810 2.546 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000283005339 426937753 /nfs/dbraw/zinc/93/77/53/426937753.db2.gz GORMPTXTRAUOND-RLFYNMQTSA-N 0 3 319.445 2.919 20 10 DFCDHN C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CCc3cccc([O-])c32)C[C@H](C)O1 ZINC000295872229 427017639 /nfs/dbraw/zinc/01/76/39/427017639.db2.gz HDVIYBWPKFNXIF-LZWOXQAQSA-N 0 3 318.461 2.857 20 10 DFCDHN CN1CCC(CC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000292137821 427103353 /nfs/dbraw/zinc/10/33/53/427103353.db2.gz LRXIYGQHZFZFAY-UHFFFAOYSA-N 0 3 316.445 2.619 20 10 DFCDHN CCNC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268743076 427107343 /nfs/dbraw/zinc/10/73/43/427107343.db2.gz SYLNGBQECGDLCI-CABCVRRESA-N 0 3 303.450 2.852 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000276909094 427126374 /nfs/dbraw/zinc/12/63/74/427126374.db2.gz JBHDLXXWQOTLDK-LBPRGKRZSA-N 0 3 324.421 2.794 20 10 DFCDHN COC[C@H](C)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268841156 427135845 /nfs/dbraw/zinc/13/58/45/427135845.db2.gz IDCONWBBOFARCG-IHRRRGAJSA-N 0 3 310.413 2.564 20 10 DFCDHN C[C@H](NCCOCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268855998 427135929 /nfs/dbraw/zinc/13/59/29/427135929.db2.gz CWESQGFHBNSGPX-AWEZNQCLSA-N 0 3 322.424 2.740 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277238671 427141209 /nfs/dbraw/zinc/14/12/09/427141209.db2.gz ZPNVAEQQKISAIW-CQSZACIVSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCOC[C@H]2C)c1[O-] ZINC000277284759 427150738 /nfs/dbraw/zinc/15/07/38/427150738.db2.gz AFVUGQKFBKWRIU-MFKMUULPSA-N 0 3 314.223 2.978 20 10 DFCDHN CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CCC1 ZINC000277338299 427171285 /nfs/dbraw/zinc/17/12/85/427171285.db2.gz UXIWONLGLKGLKF-CQSZACIVSA-N 0 3 304.434 2.966 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000292818907 427200793 /nfs/dbraw/zinc/20/07/93/427200793.db2.gz PSSGIRQOLAIGTJ-MRXNPFEDSA-N 0 3 307.777 2.877 20 10 DFCDHN CNC(=O)C(C)(C)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000269515025 427215657 /nfs/dbraw/zinc/21/56/57/427215657.db2.gz PVPVODALMLJLSQ-UHFFFAOYSA-N 0 3 312.413 2.921 20 10 DFCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183519564 427285410 /nfs/dbraw/zinc/28/54/10/427285410.db2.gz WRULNFFDCJIWOS-KPZWWZAWSA-N 0 3 317.385 2.794 20 10 DFCDHN CCC(C)(C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000269603902 427228303 /nfs/dbraw/zinc/22/83/03/427228303.db2.gz BIDJATSOJYASGB-UHFFFAOYSA-N 0 3 305.466 2.831 20 10 DFCDHN C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183498040 427281393 /nfs/dbraw/zinc/28/13/93/427281393.db2.gz FFZJNQZDQCDMEF-NEPJUHHUSA-N 0 3 323.339 2.761 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000269823550 427282568 /nfs/dbraw/zinc/28/25/68/427282568.db2.gz PWVWIWCLEOOZNV-LJQANCHMSA-N 0 3 313.397 2.715 20 10 DFCDHN C[C@@](O)(CNCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000270325387 427320919 /nfs/dbraw/zinc/32/09/19/427320919.db2.gz ZJLXISULAVZOOZ-GOSISDBHSA-N 0 3 301.361 2.758 20 10 DFCDHN C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1[O-] ZINC000183544713 427291320 /nfs/dbraw/zinc/29/13/20/427291320.db2.gz GCNTVYPMYBKVSP-ZDUSSCGKSA-N 0 3 319.426 2.788 20 10 DFCDHN CCCOc1ccc(C[N@H+](CCCOC)CCOC)c([O-])c1 ZINC000271112134 427407910 /nfs/dbraw/zinc/40/79/10/427407910.db2.gz FBTBGMXRYSPBNH-UHFFFAOYSA-N 0 3 311.422 2.666 20 10 DFCDHN CCCOc1ccc(C[N@@H+](CCCOC)CCOC)c([O-])c1 ZINC000271112134 427407916 /nfs/dbraw/zinc/40/79/16/427407916.db2.gz FBTBGMXRYSPBNH-UHFFFAOYSA-N 0 3 311.422 2.666 20 10 DFCDHN CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297542491 427412957 /nfs/dbraw/zinc/41/29/57/427412957.db2.gz FDXUALKDZMYQGG-IRXDYDNUSA-N 0 3 324.424 2.669 20 10 DFCDHN CN(C)c1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)cc1F ZINC000271233545 427462765 /nfs/dbraw/zinc/46/27/65/427462765.db2.gz RDLGBGOHZQFESO-MRXNPFEDSA-N 0 3 320.383 2.724 20 10 DFCDHN CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000293754151 427427581 /nfs/dbraw/zinc/42/75/81/427427581.db2.gz QQBWSURCROVUAY-LSDHHAIUSA-N 0 3 305.466 2.956 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293763113 427429396 /nfs/dbraw/zinc/42/93/96/427429396.db2.gz XXJHEFQVQQAIBF-KRWDZBQOSA-N 0 3 303.402 2.792 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293763113 427429403 /nfs/dbraw/zinc/42/94/03/427429403.db2.gz XXJHEFQVQQAIBF-KRWDZBQOSA-N 0 3 303.402 2.792 20 10 DFCDHN CCOc1ccc(O)c(CN2CC[C@@H](Oc3ccccn3)C2)c1 ZINC000271183603 427436930 /nfs/dbraw/zinc/43/69/30/427436930.db2.gz LINJAQOYBBYDLF-MRXNPFEDSA-N 0 3 314.385 2.839 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)c1 ZINC000185026863 427579765 /nfs/dbraw/zinc/57/97/65/427579765.db2.gz OYQUHJYDAWPQNP-NSHDSACASA-N 0 3 320.355 2.936 20 10 DFCDHN COc1cc(O)c(CN[C@H](CCO)c2ccccc2)cc1OC ZINC000271775052 427585549 /nfs/dbraw/zinc/58/55/49/427585549.db2.gz CFRMQVVJLPQSAU-OAHLLOKOSA-N 0 3 317.385 2.623 20 10 DFCDHN CC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1O ZINC000271776702 427586069 /nfs/dbraw/zinc/58/60/69/427586069.db2.gz DKVDWOFRNQQHRF-ZWNOBZJWSA-N 0 3 314.223 2.666 20 10 DFCDHN CC[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1O ZINC000271776702 427586078 /nfs/dbraw/zinc/58/60/78/427586078.db2.gz DKVDWOFRNQQHRF-ZWNOBZJWSA-N 0 3 314.223 2.666 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000271803076 427587051 /nfs/dbraw/zinc/58/70/51/427587051.db2.gz JHYMEKHWDLRRGG-KRWDZBQOSA-N 0 3 305.349 2.537 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1 ZINC000185099983 427594782 /nfs/dbraw/zinc/59/47/82/427594782.db2.gz JFNJRJKWCSIOOP-ZDUSSCGKSA-N 0 3 316.376 2.920 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C)c1 ZINC000185340578 427636963 /nfs/dbraw/zinc/63/69/63/427636963.db2.gz SVAKIGWKOSJHAV-GFCCVEGCSA-N 0 3 324.421 2.966 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c1 ZINC000185443999 427655339 /nfs/dbraw/zinc/65/53/39/427655339.db2.gz LTLGMEOPKBHXDX-CQSZACIVSA-N 0 3 304.434 3.000 20 10 DFCDHN CC(C)OC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298725524 427690468 /nfs/dbraw/zinc/69/04/68/427690468.db2.gz MQAHCLYQZRCGGU-SFHVURJKSA-N 0 3 306.450 2.503 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](CO)C2)c1[O-] ZINC000295142954 427710730 /nfs/dbraw/zinc/71/07/30/427710730.db2.gz ZWFWINQRCLHVBA-MFKMUULPSA-N 0 3 314.223 2.714 20 10 DFCDHN C[C@H]1OCC[C@]12C[N@H+](Cc1c([O-])ccc3ccccc31)CCO2 ZINC000279656548 427715107 /nfs/dbraw/zinc/71/51/07/427715107.db2.gz LGCPKLOFZXHBOM-KUHUBIRLSA-N 0 3 313.397 2.925 20 10 DFCDHN C[C@H]1OCC[C@]12C[N@@H+](Cc1c([O-])ccc3ccccc31)CCO2 ZINC000279656548 427715111 /nfs/dbraw/zinc/71/51/11/427715111.db2.gz LGCPKLOFZXHBOM-KUHUBIRLSA-N 0 3 313.397 2.925 20 10 DFCDHN CCOc1cccc(C[NH2+]C2(CC(=O)OC)CCCC2)c1[O-] ZINC000279667082 427715721 /nfs/dbraw/zinc/71/57/21/427715721.db2.gz MSRPCRQVUNMLLV-UHFFFAOYSA-N 0 3 307.390 2.756 20 10 DFCDHN CCOCc1cc(CNCCN2CC=CCC2)ccc1OC ZINC000279656011 427715835 /nfs/dbraw/zinc/71/58/35/427715835.db2.gz FRVLQHZCEBRSED-UHFFFAOYSA-N 0 3 304.434 2.583 20 10 DFCDHN C[C@@H]1OCC[C@@]12C[N@H+](Cc1c([O-])ccc3ccccc31)CCO2 ZINC000279656546 427716259 /nfs/dbraw/zinc/71/62/59/427716259.db2.gz LGCPKLOFZXHBOM-IFXJQAMLSA-N 0 3 313.397 2.925 20 10 DFCDHN C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c([O-])ccc3ccccc31)CCO2 ZINC000279656546 427716263 /nfs/dbraw/zinc/71/62/63/427716263.db2.gz LGCPKLOFZXHBOM-IFXJQAMLSA-N 0 3 313.397 2.925 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1[O-] ZINC000186051539 427744098 /nfs/dbraw/zinc/74/40/98/427744098.db2.gz ZFLCEOAYXHCKMJ-GXTWGEPZSA-N 0 3 316.380 2.641 20 10 DFCDHN CCOc1cccc(CN2C[C@H](CC)O[C@]3(CCOC3)C2)c1O ZINC000369540902 427995890 /nfs/dbraw/zinc/99/58/90/427995890.db2.gz LKYJAIFMWNKQBS-MAUKXSAKSA-N 0 3 321.417 2.561 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(Nc2cccnn2)CC1 ZINC000369618038 428018468 /nfs/dbraw/zinc/01/84/68/428018468.db2.gz UNIMAGPCVIJYQI-MRXNPFEDSA-N 0 3 312.417 3.210 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371402925 428389058 /nfs/dbraw/zinc/38/90/58/428389058.db2.gz FPYIURFMEWVYFC-VNQPRFMTSA-N 0 3 306.837 2.962 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371402925 428389062 /nfs/dbraw/zinc/38/90/62/428389062.db2.gz FPYIURFMEWVYFC-VNQPRFMTSA-N 0 3 306.837 2.962 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000371835161 428407047 /nfs/dbraw/zinc/40/70/47/428407047.db2.gz QUECJDBRESVNRM-RYQLBKOJSA-N 0 3 318.461 2.995 20 10 DFCDHN Cc1cccc(CN2CCCN(C(=O)c3ccco3)CC2)c1O ZINC000360792092 428441283 /nfs/dbraw/zinc/44/12/83/428441283.db2.gz JMXREPZIDAIMTG-UHFFFAOYSA-N 0 3 314.385 2.642 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c([O-])c1 ZINC000372993197 428510847 /nfs/dbraw/zinc/51/08/47/428510847.db2.gz OMLPVZSEOJVQPV-CQSZACIVSA-N 0 3 312.417 2.810 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1cc(Cl)ccc1[O-] ZINC000373252469 428528483 /nfs/dbraw/zinc/52/84/83/428528483.db2.gz NMXXPNFDLGWOMH-IACUBPJLSA-N 0 3 310.825 2.559 20 10 DFCDHN CC[C@H]1CN(Cc2cc(C)c(C)cc2O)C[C@]2(CCOC2)O1 ZINC000373492690 428592023 /nfs/dbraw/zinc/59/20/23/428592023.db2.gz FOPGJLJWRPFJNZ-WMZOPIPTSA-N 0 3 305.418 2.779 20 10 DFCDHN CCc1nnc2n1C[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC000362034243 428610945 /nfs/dbraw/zinc/61/09/45/428610945.db2.gz AMAMBEQETKFPPH-ZDUSSCGKSA-N 0 3 320.824 2.613 20 10 DFCDHN COc1cccc(CN2CC(C)(C)O[C@@]3(CCCOC3)C2)c1O ZINC000373605271 428618641 /nfs/dbraw/zinc/61/86/41/428618641.db2.gz WWAUOBDSCPGZKU-SFHVURJKSA-N 0 3 321.417 2.561 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000290525189 274115333 /nfs/dbraw/zinc/11/53/33/274115333.db2.gz ZCVJCKYVTPKWJZ-GYOIFBIXSA-N 0 3 315.369 2.546 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000290525189 274115334 /nfs/dbraw/zinc/11/53/34/274115334.db2.gz ZCVJCKYVTPKWJZ-GYOIFBIXSA-N 0 3 315.369 2.546 20 10 DFCDHN Cc1nc([C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)no1 ZINC000362386759 428726227 /nfs/dbraw/zinc/72/62/27/428726227.db2.gz WMRDYHWIJSECMK-OAHLLOKOSA-N 0 3 300.406 2.824 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)c([O-])c1C ZINC000374514800 428690375 /nfs/dbraw/zinc/69/03/75/428690375.db2.gz PTWDDNUWGILKJJ-BPUTZDHNSA-N 0 3 302.418 2.813 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCn1cc(Br)cn1)CC2 ZINC000296248032 275061587 /nfs/dbraw/zinc/06/15/87/275061587.db2.gz BDHMKIRNEUDWKV-LBPRGKRZSA-N 0 3 322.206 2.628 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1[C@@H](CC)c1ccccc1[O-] ZINC000367297965 429615700 /nfs/dbraw/zinc/61/57/00/429615700.db2.gz AUKLULRWVWGVGN-LZWOXQAQSA-N 0 3 321.417 2.886 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1[C@@H](CC)c1ccccc1[O-] ZINC000367297965 429615704 /nfs/dbraw/zinc/61/57/04/429615704.db2.gz AUKLULRWVWGVGN-LZWOXQAQSA-N 0 3 321.417 2.886 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000367306852 429617218 /nfs/dbraw/zinc/61/72/18/429617218.db2.gz BBPLZUGDALBEPY-CABCVRRESA-N 0 3 300.406 2.555 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000367306852 429617223 /nfs/dbraw/zinc/61/72/23/429617223.db2.gz BBPLZUGDALBEPY-CABCVRRESA-N 0 3 300.406 2.555 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(C)cc1[O-] ZINC000367258994 429606383 /nfs/dbraw/zinc/60/63/83/429606383.db2.gz GBEKHCYOJKZTBU-GDBMZVCRSA-N 0 3 302.418 2.943 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000367803081 429719772 /nfs/dbraw/zinc/71/97/72/429719772.db2.gz QSWHEHPQJSLRJG-ZBFHGGJFSA-N 0 3 310.397 2.844 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2c3ccccc3C(=O)N2C)cc1C ZINC000527808860 429803019 /nfs/dbraw/zinc/80/30/19/429803019.db2.gz RIHQIUFUURFMOS-QGZVFWFLSA-N 0 3 310.397 2.926 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368041402 429773100 /nfs/dbraw/zinc/77/31/00/429773100.db2.gz KWJQDDFFUANORY-CZUORRHYSA-N 0 3 312.417 3.095 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368041402 429773104 /nfs/dbraw/zinc/77/31/04/429773104.db2.gz KWJQDDFFUANORY-CZUORRHYSA-N 0 3 312.417 3.095 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000368568451 429868765 /nfs/dbraw/zinc/86/87/65/429868765.db2.gz QQOWNSDTCZUFGV-UONOGXRCSA-N 0 3 321.417 2.732 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3nc(C)cn3C2)c1 ZINC000368314861 429829748 /nfs/dbraw/zinc/82/97/48/429829748.db2.gz GGASTCRUIOKWKH-OLZOCXBDSA-N 0 3 301.390 2.571 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000528015741 429837652 /nfs/dbraw/zinc/83/76/52/429837652.db2.gz MORRTICRVWHSCV-CQSZACIVSA-N 0 3 304.434 3.000 20 10 DFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2COC2)c1[O-] ZINC000528029389 429838749 /nfs/dbraw/zinc/83/87/49/429838749.db2.gz YWKMFEYUZCPARX-SECBINFHSA-N 0 3 300.196 2.760 20 10 DFCDHN CN(C)c1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1F ZINC000280132133 276884026 /nfs/dbraw/zinc/88/40/26/276884026.db2.gz OZMYPIFXSLYRBQ-HNNXBMFYSA-N 0 3 302.397 2.792 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN(C)CC(F)(F)F)c1 ZINC000273614531 295168576 /nfs/dbraw/zinc/16/85/76/295168576.db2.gz WXZQZBVPCUCSIE-JTQLQIEISA-N 0 3 306.328 2.546 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000130429331 332024660 /nfs/dbraw/zinc/02/46/60/332024660.db2.gz JKDGGZNVGGDXDQ-ZFWWWQNUSA-N 0 3 301.386 2.655 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000180623904 333029139 /nfs/dbraw/zinc/02/91/39/333029139.db2.gz LMSQEMYIPZQMNL-NSHDSACASA-N 0 3 314.223 2.931 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000180623904 333029141 /nfs/dbraw/zinc/02/91/41/333029141.db2.gz LMSQEMYIPZQMNL-NSHDSACASA-N 0 3 314.223 2.931 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000182335577 333038314 /nfs/dbraw/zinc/03/83/14/333038314.db2.gz FUKFPQYSZVMHLL-NSHDSACASA-N 0 3 310.394 2.576 20 10 DFCDHN COc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1[O-] ZINC000293782520 335117573 /nfs/dbraw/zinc/11/75/73/335117573.db2.gz ZHYFEUXPCSODFZ-QGZVFWFLSA-N 0 3 303.402 2.792 20 10 DFCDHN COc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1[O-] ZINC000293782520 335117574 /nfs/dbraw/zinc/11/75/74/335117574.db2.gz ZHYFEUXPCSODFZ-QGZVFWFLSA-N 0 3 303.402 2.792 20 10 DFCDHN COc1cc(Cl)cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1[O-] ZINC000184694480 333364104 /nfs/dbraw/zinc/36/41/04/333364104.db2.gz QBRZRMAJNVXBTN-BXUZGUMPSA-N 0 3 310.825 2.723 20 10 DFCDHN COc1cc(Cl)cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1[O-] ZINC000184694480 333364106 /nfs/dbraw/zinc/36/41/06/333364106.db2.gz QBRZRMAJNVXBTN-BXUZGUMPSA-N 0 3 310.825 2.723 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)CC2 ZINC000297070557 335149027 /nfs/dbraw/zinc/14/90/27/335149027.db2.gz WJBOUQKVDKGIKT-JKSUJKDBSA-N 0 3 301.361 2.712 20 10 DFCDHN CCCOc1ccc(C[N@H+](C)CCOCCCOC)c([O-])c1 ZINC000272329737 334032869 /nfs/dbraw/zinc/03/28/69/334032869.db2.gz DHDZSZFEFWTWSD-UHFFFAOYSA-N 0 3 311.422 2.666 20 10 DFCDHN CCCOc1ccc(C[N@@H+](C)CCOCCCOC)c([O-])c1 ZINC000272329737 334032871 /nfs/dbraw/zinc/03/28/71/334032871.db2.gz DHDZSZFEFWTWSD-UHFFFAOYSA-N 0 3 311.422 2.666 20 10 DFCDHN COc1cc(N2CCN(Cc3ccccc3O)CC2)ccc1F ZINC000283022539 334138881 /nfs/dbraw/zinc/13/88/81/334138881.db2.gz MKQROVYTBUJNKI-UHFFFAOYSA-N 0 3 316.376 2.862 20 10 DFCDHN CCc1ccc([C@H](O)C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000285418366 334147661 /nfs/dbraw/zinc/14/76/61/334147661.db2.gz GLRYUWCLKWELFF-MRXNPFEDSA-N 0 3 301.386 2.786 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1cn3c(n1)SCC3)CC2 ZINC000296389695 334233362 /nfs/dbraw/zinc/23/33/62/334233362.db2.gz JTCYEEOVQMGUAC-ZDUSSCGKSA-N 0 3 301.415 2.514 20 10 DFCDHN Cc1cc(O)c(CN[C@@]2(CO)CCOc3ccccc32)cc1C ZINC000366899202 335325804 /nfs/dbraw/zinc/32/58/04/335325804.db2.gz BJIGYOCXFFPMCH-LJQANCHMSA-N 0 3 313.397 2.769 20 10 DFCDHN CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000192905071 336283266 /nfs/dbraw/zinc/28/32/66/336283266.db2.gz PHSQVOQWJLVBTJ-ZDUSSCGKSA-N 0 3 306.406 2.972 20 10 DFCDHN Nc1ccc(NC(=O)C2CCN(Cc3cccnc3)CC2)cc1 ZINC000361734573 336770510 /nfs/dbraw/zinc/77/05/10/336770510.db2.gz RRHGANCKLKIQCA-UHFFFAOYSA-N 0 3 310.401 2.515 20 10 DFCDHN C[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccccc1[O-] ZINC000371546662 336907772 /nfs/dbraw/zinc/90/77/72/336907772.db2.gz NNDXNTUDOSGRFT-GFCCVEGCSA-N 0 3 316.426 2.689 20 10 DFCDHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])CC2 ZINC000373561884 336964703 /nfs/dbraw/zinc/96/47/03/336964703.db2.gz QZOGJMLUVSYRQA-ZFWWWQNUSA-N 0 3 314.433 2.910 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccncn2)C1)c1ccccc1[O-] ZINC000376323011 337031398 /nfs/dbraw/zinc/03/13/98/337031398.db2.gz SKBZWRAIARIONQ-GDBMZVCRSA-N 0 3 312.417 2.892 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCCCO3)C1)OCO2 ZINC000376480543 337034449 /nfs/dbraw/zinc/03/44/49/337034449.db2.gz ZPFZRBWLDVSLLS-KRWDZBQOSA-N 0 3 305.374 2.656 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCCCO3)C1)OCO2 ZINC000376480543 337034450 /nfs/dbraw/zinc/03/44/50/337034450.db2.gz ZPFZRBWLDVSLLS-KRWDZBQOSA-N 0 3 305.374 2.656 20 10 DFCDHN Oc1cc2c(cc1CN1CCC[C@@]3(CCCCO3)C1)OCO2 ZINC000376480543 337034451 /nfs/dbraw/zinc/03/44/51/337034451.db2.gz ZPFZRBWLDVSLLS-KRWDZBQOSA-N 0 3 305.374 2.656 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000376940823 337043903 /nfs/dbraw/zinc/04/39/03/337043903.db2.gz KNIXGWYKOAEPED-JKSUJKDBSA-N 0 3 321.417 2.552 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000376940823 337043904 /nfs/dbraw/zinc/04/39/04/337043904.db2.gz KNIXGWYKOAEPED-JKSUJKDBSA-N 0 3 321.417 2.552 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c1 ZINC000377543099 337054749 /nfs/dbraw/zinc/05/47/49/337054749.db2.gz PIWYCMVACLODSB-OJDYBEQGSA-N 0 3 318.417 2.580 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c1 ZINC000377543099 337054750 /nfs/dbraw/zinc/05/47/50/337054750.db2.gz PIWYCMVACLODSB-OJDYBEQGSA-N 0 3 318.417 2.580 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000377890307 337063534 /nfs/dbraw/zinc/06/35/34/337063534.db2.gz UHOAJCVYECQBEK-QWHCGFSZSA-N 0 3 301.390 2.685 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000377890307 337063535 /nfs/dbraw/zinc/06/35/35/337063535.db2.gz UHOAJCVYECQBEK-QWHCGFSZSA-N 0 3 301.390 2.685 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1[O-] ZINC000228671025 337078141 /nfs/dbraw/zinc/07/81/41/337078141.db2.gz WILFZJQRORRYKS-LLVKDONJSA-N 0 3 310.825 2.628 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1[O-] ZINC000228671019 337078153 /nfs/dbraw/zinc/07/81/53/337078153.db2.gz WILFZJQRORRYKS-NSHDSACASA-N 0 3 310.825 2.628 20 10 DFCDHN CCOC(CN1CCCN(c2ccc(OC)cc2)CC1)OCC ZINC000184951591 337201965 /nfs/dbraw/zinc/20/19/65/337201965.db2.gz HPITVAOTHSQMAT-UHFFFAOYSA-N 0 3 322.449 2.606 20 10 DFCDHN CCN1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000227438165 337205074 /nfs/dbraw/zinc/20/50/74/337205074.db2.gz CKZVFPFHLBDKRM-NSHDSACASA-N 0 3 313.239 2.586 20 10 DFCDHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])CC2 ZINC000185995751 337252487 /nfs/dbraw/zinc/25/24/87/337252487.db2.gz BWNJVFDQUKVJOE-STQMWFEESA-N 0 3 300.406 2.520 20 10 DFCDHN CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]1c1ccc(F)cc1 ZINC000120004970 337395443 /nfs/dbraw/zinc/39/54/43/337395443.db2.gz UISWYQSYUHMQHF-CRAIPNDOSA-N 0 3 314.360 2.593 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)Cc2ccccc2)c1[O-] ZINC000276053799 341654591 /nfs/dbraw/zinc/65/45/91/341654591.db2.gz URLSQHDCDXWVOD-HNNXBMFYSA-N 0 3 321.804 2.747 20 10 DFCDHN CC(C)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000180450961 519635523 /nfs/dbraw/zinc/63/55/23/519635523.db2.gz GTUHJJCUBRBGBU-UHFFFAOYSA-N 0 3 305.466 2.830 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000270773235 520370797 /nfs/dbraw/zinc/37/07/97/520370797.db2.gz ARVNJDYZNOEBDH-GXTWGEPZSA-N 0 3 321.339 2.972 20 10 DFCDHN CCCCOC[C@H](O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000365033498 520804920 /nfs/dbraw/zinc/80/49/20/520804920.db2.gz IECVKEIGULIDJN-LJQANCHMSA-N 0 3 318.461 2.629 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[O-] ZINC000248888047 522537795 /nfs/dbraw/zinc/53/77/95/522537795.db2.gz RIARCGSRYMQMQH-IUODEOHRSA-N 0 3 324.852 2.970 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[O-] ZINC000248888047 522537805 /nfs/dbraw/zinc/53/78/05/522537805.db2.gz RIARCGSRYMQMQH-IUODEOHRSA-N 0 3 324.852 2.970 20 10 DFCDHN COc1cc([O-])c(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1OC ZINC000190174139 522774356 /nfs/dbraw/zinc/77/43/56/522774356.db2.gz PGHPYYMLXKLZSA-MRXNPFEDSA-N 0 3 321.417 2.800 20 10 DFCDHN COc1cc(O)c(CN2CCC([C@H]3CCCO3)CC2)cc1OC ZINC000190174139 522774359 /nfs/dbraw/zinc/77/43/59/522774359.db2.gz PGHPYYMLXKLZSA-MRXNPFEDSA-N 0 3 321.417 2.800 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)cc1OC ZINC000182489612 522781748 /nfs/dbraw/zinc/78/17/48/522781748.db2.gz DFUXNGCDLKNGMO-WBVHZDCISA-N 0 3 309.406 2.703 20 10 DFCDHN CCn1cnnc1[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000179878934 523606290 /nfs/dbraw/zinc/60/62/90/523606290.db2.gz XEQQATSEBUKNRZ-INIZCTEOSA-N 0 3 313.449 2.744 20 10 DFCDHN COc1ccc(N2CCC(N(C)Cc3c[nH]cn3)CC2)cc1 ZINC000367432883 524404203 /nfs/dbraw/zinc/40/42/03/524404203.db2.gz RCKSWWBTDMUTQP-UHFFFAOYSA-N 0 3 300.406 2.519 20 10 DFCDHN COc1ccc(N2CCC(N(C)Cc3cnc[nH]3)CC2)cc1 ZINC000367432883 524404213 /nfs/dbraw/zinc/40/42/13/524404213.db2.gz RCKSWWBTDMUTQP-UHFFFAOYSA-N 0 3 300.406 2.519 20 10 DFCDHN C[C@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000179990302 524605140 /nfs/dbraw/zinc/60/51/40/524605140.db2.gz KCNJVBMIBYWIEG-ZQIUZPCESA-N 0 3 322.424 2.605 20 10 DFCDHN C[C@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000179990302 524605151 /nfs/dbraw/zinc/60/51/51/524605151.db2.gz KCNJVBMIBYWIEG-ZQIUZPCESA-N 0 3 322.424 2.605 20 10 DFCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000179878076 524755335 /nfs/dbraw/zinc/75/53/35/524755335.db2.gz WURNXSCQCIBBCS-GJZGRUSLSA-N 0 3 301.386 2.791 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)c1 ZINC000179670919 524771939 /nfs/dbraw/zinc/77/19/39/524771939.db2.gz WWTSMISAFOFKQC-STQMWFEESA-N 0 3 303.406 2.893 20 10 DFCDHN COc1ccc([C@@H](CO)[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000180157185 525189751 /nfs/dbraw/zinc/18/97/51/525189751.db2.gz HINQIVBISJNWBK-MRXNPFEDSA-N 0 3 305.349 2.705 20 10 DFCDHN COc1ccc([C@@H](CO)[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000180157185 525189761 /nfs/dbraw/zinc/18/97/61/525189761.db2.gz HINQIVBISJNWBK-MRXNPFEDSA-N 0 3 305.349 2.705 20 10 DFCDHN COc1ccc([C@@H](CO)N(C)Cc2cc(OC)ccc2O)cc1 ZINC000180253374 525190542 /nfs/dbraw/zinc/19/05/42/525190542.db2.gz ODLYVKNMWPAOHO-QGZVFWFLSA-N 0 3 317.385 2.575 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1C ZINC000266184386 525318028 /nfs/dbraw/zinc/31/80/28/525318028.db2.gz MEWXVHYDPRHMLM-UHFFFAOYSA-N 0 3 304.434 2.746 20 10 DFCDHN COc1ccc([C@H](CO)[N@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000180157165 525361081 /nfs/dbraw/zinc/36/10/81/525361081.db2.gz HINQIVBISJNWBK-INIZCTEOSA-N 0 3 305.349 2.705 20 10 DFCDHN COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(F)ccc2[O-])cc1 ZINC000180157165 525361089 /nfs/dbraw/zinc/36/10/89/525361089.db2.gz HINQIVBISJNWBK-INIZCTEOSA-N 0 3 305.349 2.705 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1[O-] ZINC000187985995 526156406 /nfs/dbraw/zinc/15/64/06/526156406.db2.gz VZQHKQCLEOOCBS-MFKMUULPSA-N 0 3 314.223 2.714 20 10 DFCDHN Cc1cc(C(=O)N2CCCNCC2)c(C)n1-c1cccc(C)c1 ZINC000237820352 526245033 /nfs/dbraw/zinc/24/50/33/526245033.db2.gz LUQHNCRJBNIWCQ-UHFFFAOYSA-N 0 3 311.429 2.838 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CCC1OCCCO1)C[C@@H]1CCCO1 ZINC000267931566 526371848 /nfs/dbraw/zinc/37/18/48/526371848.db2.gz LSRBWSCZCSEGDR-INIZCTEOSA-N 0 3 321.417 2.526 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CCC1OCCCO1)C[C@@H]1CCCO1 ZINC000267931566 526371856 /nfs/dbraw/zinc/37/18/56/526371856.db2.gz LSRBWSCZCSEGDR-INIZCTEOSA-N 0 3 321.417 2.526 20 10 DFCDHN CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)cc2)[C@@]12CCCO2 ZINC000272690520 535509104 /nfs/dbraw/zinc/50/91/04/535509104.db2.gz PIWXJNNKTFMECV-KSZLIROESA-N 0 3 304.434 2.569 20 10 DFCDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2[O-])C[C@H]1C ZINC000289450149 535555295 /nfs/dbraw/zinc/55/52/95/535555295.db2.gz NCPDANJGYYEPCM-BPLDGKMQSA-N 0 3 321.417 2.858 20 10 DFCDHN CCSCCNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000273742840 535686068 /nfs/dbraw/zinc/68/60/68/535686068.db2.gz OCWKGYXORGEGDN-UHFFFAOYSA-N 0 3 312.454 2.630 20 10 DFCDHN CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000285048661 535782095 /nfs/dbraw/zinc/78/20/95/535782095.db2.gz ILHCHGVTCLUFMO-KBPBESRZSA-N 0 3 306.406 2.890 20 10 DFCDHN CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000285048668 535782461 /nfs/dbraw/zinc/78/24/61/535782461.db2.gz ILHCHGVTCLUFMO-KGLIPLIRSA-N 0 3 306.406 2.890 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286263381 536147957 /nfs/dbraw/zinc/14/79/57/536147957.db2.gz BBCHTKANBMTUJH-ZFWWWQNUSA-N 0 3 316.367 2.745 20 10 DFCDHN COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000272429636 536768465 /nfs/dbraw/zinc/76/84/65/536768465.db2.gz QEUZUPRSCNJNTF-PBHICJAKSA-N 0 3 307.390 2.612 20 10 DFCDHN COC[C@H](C)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000124558293 522591740 /nfs/dbraw/zinc/59/17/40/522591740.db2.gz NFTZTZIZJGCTAZ-JTQLQIEISA-N 0 3 302.212 2.930 20 10 DFCDHN COC[C@H](C)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000124558293 522591734 /nfs/dbraw/zinc/59/17/34/522591734.db2.gz NFTZTZIZJGCTAZ-JTQLQIEISA-N 0 3 302.212 2.930 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)C3CCC3)CC2)cc1C ZINC000066079955 398357182 /nfs/dbraw/zinc/35/71/82/398357182.db2.gz GRDUGJBVEOVDPJ-UHFFFAOYSA-N 0 3 316.445 2.890 20 10 DFCDHN CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCCCNC1=O ZINC000009976541 398375914 /nfs/dbraw/zinc/37/59/14/398375914.db2.gz MZTPQCZCORUTOV-SFHVURJKSA-N 0 3 315.461 2.777 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)NCC2(CS(C)(=O)=O)CC2)cc1 ZINC000090183612 185286007 /nfs/dbraw/zinc/28/60/07/185286007.db2.gz JFGVPGMOAVAQJZ-CQSZACIVSA-N 0 3 324.490 2.618 20 10 DFCDHN CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000090411948 185295186 /nfs/dbraw/zinc/29/51/86/185295186.db2.gz OYGUPNWEKKZFBD-GDBMZVCRSA-N 0 3 318.465 2.597 20 10 DFCDHN CCOC(=O)[C@@H]1CCCN(Cc2cccc(OCC)c2O)C1 ZINC000092456217 185319523 /nfs/dbraw/zinc/31/95/23/185319523.db2.gz RLQSYJHHDKQMOE-CQSZACIVSA-N 0 3 307.390 2.566 20 10 DFCDHN CN(C)c1ccc(CN2CCCN(c3nccs3)CC2)cc1 ZINC000092482226 185321248 /nfs/dbraw/zinc/32/12/48/185321248.db2.gz ONJYPCCFHIXYTO-UHFFFAOYSA-N 0 3 316.474 2.921 20 10 DFCDHN CCCN(Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccccc1O ZINC000092704970 185334188 /nfs/dbraw/zinc/33/41/88/185334188.db2.gz MAJNBLKAASZESI-UHFFFAOYSA-N 0 3 315.417 2.834 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1 ZINC000092472559 398579293 /nfs/dbraw/zinc/57/92/93/398579293.db2.gz LMINAQKVTNLJPX-GOSISDBHSA-N 0 3 315.413 2.710 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1 ZINC000092472559 398579296 /nfs/dbraw/zinc/57/92/96/398579296.db2.gz LMINAQKVTNLJPX-GOSISDBHSA-N 0 3 315.413 2.710 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1 ZINC000093363064 398634289 /nfs/dbraw/zinc/63/42/89/398634289.db2.gz YGGYVNPZWYZECF-INIZCTEOSA-N 0 3 302.418 2.678 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c1 ZINC000093363064 398634292 /nfs/dbraw/zinc/63/42/92/398634292.db2.gz YGGYVNPZWYZECF-INIZCTEOSA-N 0 3 302.418 2.678 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000093585980 398640669 /nfs/dbraw/zinc/64/06/69/398640669.db2.gz OVGRJSKKCLZJOU-QAPCUYQASA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000093585980 398640672 /nfs/dbraw/zinc/64/06/72/398640672.db2.gz OVGRJSKKCLZJOU-QAPCUYQASA-N 0 3 305.418 2.918 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093536958 398641555 /nfs/dbraw/zinc/64/15/55/398641555.db2.gz FPYIURFMEWVYFC-FVQBIDKESA-N 0 3 306.837 2.962 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093536958 398641558 /nfs/dbraw/zinc/64/15/58/398641558.db2.gz FPYIURFMEWVYFC-FVQBIDKESA-N 0 3 306.837 2.962 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093870183 398649132 /nfs/dbraw/zinc/64/91/32/398649132.db2.gz UIJKHXIPGVJRQM-AWEZNQCLSA-N 0 3 315.417 2.589 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000093870183 398649134 /nfs/dbraw/zinc/64/91/34/398649134.db2.gz UIJKHXIPGVJRQM-AWEZNQCLSA-N 0 3 315.417 2.589 20 10 DFCDHN CCC[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236787603 202008420 /nfs/dbraw/zinc/00/84/20/202008420.db2.gz AJIYSMHIAWIIRT-KRWDZBQOSA-N 0 3 303.450 2.763 20 10 DFCDHN CCC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000236894311 202058929 /nfs/dbraw/zinc/05/89/29/202058929.db2.gz AJIYSMHIAWIIRT-QGZVFWFLSA-N 0 3 303.450 2.763 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC000091856477 193119382 /nfs/dbraw/zinc/11/93/82/193119382.db2.gz SHPRJXDXHHDWQA-DOTOQJQBSA-N 0 3 323.458 2.887 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC000091856477 193119384 /nfs/dbraw/zinc/11/93/84/193119384.db2.gz SHPRJXDXHHDWQA-DOTOQJQBSA-N 0 3 323.458 2.887 20 10 DFCDHN CCCOc1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c([O-])c1 ZINC000092253791 193180314 /nfs/dbraw/zinc/18/03/14/193180314.db2.gz UJZRXEDSLVQWOB-OAHLLOKOSA-N 0 3 306.450 2.955 20 10 DFCDHN CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c([O-])c1 ZINC000092253791 193180315 /nfs/dbraw/zinc/18/03/15/193180315.db2.gz UJZRXEDSLVQWOB-OAHLLOKOSA-N 0 3 306.450 2.955 20 10 DFCDHN COc1cccc(CN(C)[C@@H](CCO)c2ccccc2)c1O ZINC000093442657 193253441 /nfs/dbraw/zinc/25/34/41/193253441.db2.gz CJIUORXWWIMDCH-INIZCTEOSA-N 0 3 301.386 2.956 20 10 DFCDHN COc1cccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1[O-] ZINC000093442657 193253443 /nfs/dbraw/zinc/25/34/43/193253443.db2.gz CJIUORXWWIMDCH-INIZCTEOSA-N 0 3 301.386 2.956 20 10 DFCDHN COc1cccc(C[N@@H+](C)[C@@H](CCO)c2ccccc2)c1[O-] ZINC000093442657 193253445 /nfs/dbraw/zinc/25/34/45/193253445.db2.gz CJIUORXWWIMDCH-INIZCTEOSA-N 0 3 301.386 2.956 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)c([O-])c1 ZINC000105492906 194106747 /nfs/dbraw/zinc/10/67/47/194106747.db2.gz FJQDEHKQFPNICT-QGZVFWFLSA-N 0 3 315.413 2.874 20 10 DFCDHN COCC[C@@H](NCc1cc(OC)c(OC)cc1O)c1ccco1 ZINC000272545658 130040824 /nfs/dbraw/zinc/04/08/24/130040824.db2.gz QBDWSKKXHTZZOF-CYBMUJFWSA-N 0 3 321.373 2.870 20 10 DFCDHN C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000273344708 130108977 /nfs/dbraw/zinc/10/89/77/130108977.db2.gz AIZZPGMLYVGWHD-ORAYPTAESA-N 0 3 319.445 2.709 20 10 DFCDHN C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000273344704 130109803 /nfs/dbraw/zinc/10/98/03/130109803.db2.gz AIZZPGMLYVGWHD-BFUOFWGJSA-N 0 3 319.445 2.709 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c([O-])c1C ZINC000273604704 130142819 /nfs/dbraw/zinc/14/28/19/130142819.db2.gz SWCXHZDQBSYWJJ-BBRMVZONSA-N 0 3 306.450 2.628 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccc(C)o2)c1[O-] ZINC000273817433 130171969 /nfs/dbraw/zinc/17/19/69/130171969.db2.gz ZWWXFQJSUBSNPD-GFCCVEGCSA-N 0 3 311.765 2.779 20 10 DFCDHN C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(F)ccc1[O-] ZINC000274450596 130235567 /nfs/dbraw/zinc/23/55/67/130235567.db2.gz YSUVLMOTQTYQLV-SNVBAGLBSA-N 0 3 307.394 2.727 20 10 DFCDHN CC[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275106720 130291477 /nfs/dbraw/zinc/29/14/77/130291477.db2.gz DQWSTYJDCOWGFH-GXSJLCMTSA-N 0 3 302.212 2.885 20 10 DFCDHN CCOCc1cc(CN[C@@H]2C[C@H](OCC)[C@H]2OC)ccc1OC ZINC000274897472 130271573 /nfs/dbraw/zinc/27/15/73/130271573.db2.gz GBHGSDFHMIKJRI-NJAFHUGGSA-N 0 3 323.433 2.514 20 10 DFCDHN CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C)ccc1[O-] ZINC000275550436 130336132 /nfs/dbraw/zinc/33/61/32/130336132.db2.gz NGWPVJDIQPIHMX-KBXCAEBGSA-N 0 3 315.417 2.784 20 10 DFCDHN COC[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCO1 ZINC000278673351 130711917 /nfs/dbraw/zinc/71/19/17/130711917.db2.gz OIZIOGTZALTSKK-RTBURBONSA-N 0 3 318.461 2.961 20 10 DFCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1c(C)cc(C)cc1[O-])CC2 ZINC000284042916 131043531 /nfs/dbraw/zinc/04/35/31/131043531.db2.gz JYDXYYVXWRLPFF-TZMCWYRMSA-N 0 3 300.406 2.575 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]CCN2CCOCC2(C)C)c([O-])c1 ZINC000284125415 131051061 /nfs/dbraw/zinc/05/10/61/131051061.db2.gz NYYZRDMDCSSJHH-HNNXBMFYSA-N 0 3 306.450 2.770 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c([O-])c1 ZINC000284249014 131063377 /nfs/dbraw/zinc/06/33/77/131063377.db2.gz VNHDCLWTQGKGRA-OAHLLOKOSA-N 0 3 306.450 2.770 20 10 DFCDHN CN1C[C@@H]2[C@@H](CCC[N@@H+]2Cc2c([O-])ccc3ccccc32)C1=O ZINC000284734818 131107790 /nfs/dbraw/zinc/10/77/90/131107790.db2.gz WAVQYKZUEZJGTF-NVXWUHKLSA-N 0 3 310.397 2.598 20 10 DFCDHN CN1C[C@@H]2[C@@H](CCC[N@H+]2Cc2c([O-])ccc3ccccc32)C1=O ZINC000284734818 131107792 /nfs/dbraw/zinc/10/77/92/131107792.db2.gz WAVQYKZUEZJGTF-NVXWUHKLSA-N 0 3 310.397 2.598 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)c2ccco2)c([O-])c1 ZINC000285213877 131147997 /nfs/dbraw/zinc/14/79/97/131147997.db2.gz OPRMNEFPCKBTKD-ZDUSSCGKSA-N 0 3 302.374 2.683 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)NC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000286875339 131253265 /nfs/dbraw/zinc/25/32/65/131253265.db2.gz CAVNQLHMMKCFRF-HUUCEWRRSA-N 0 3 324.490 2.618 20 10 DFCDHN COc1cccc(CNCc2cnc([C@@H]3CCCO3)s2)c1O ZINC000289514922 131392661 /nfs/dbraw/zinc/39/26/61/131392661.db2.gz VAFPPPOYJPFWOK-AWEZNQCLSA-N 0 3 320.414 2.999 20 10 DFCDHN CCc1nn(C)c(CC)c1CNCc1cccc(OC)c1O ZINC000169265594 542755144 /nfs/dbraw/zinc/75/51/44/542755144.db2.gz JKQBCRXIFDUSIZ-UHFFFAOYSA-N 0 3 303.406 2.549 20 10 DFCDHN CCC(CC)(CO)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230935369 542893379 /nfs/dbraw/zinc/89/33/79/542893379.db2.gz ZNOCVKUZAQROEG-UHFFFAOYSA-N 0 3 301.814 2.943 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c([O-])c1C ZINC000297381484 227092725 /nfs/dbraw/zinc/09/27/25/227092725.db2.gz RCKYRDFVGRNRJR-HZPDHXFCSA-N 0 3 306.450 2.506 20 10 DFCDHN CCCNC(=O)C1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000042674919 425853438 /nfs/dbraw/zinc/85/34/38/425853438.db2.gz IRCLCRRNEIVASA-UHFFFAOYSA-N 0 3 304.434 2.747 20 10 DFCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCCN1 ZINC000159121667 425955237 /nfs/dbraw/zinc/95/52/37/425955237.db2.gz VQEPAAHKDQPVDQ-SFHVURJKSA-N 0 3 315.461 2.777 20 10 DFCDHN CCCN(CC(=O)N(C)Cc1ccco1)Cc1ccccc1O ZINC000114717519 426142538 /nfs/dbraw/zinc/14/25/38/426142538.db2.gz NZCQZKFCBNCCKN-UHFFFAOYSA-N 0 3 316.401 2.856 20 10 DFCDHN [O-]c1cccc(Cl)c1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000134109438 426185218 /nfs/dbraw/zinc/18/52/18/426185218.db2.gz OUOQVUPXDKMEPR-UHFFFAOYSA-N 0 3 324.852 2.590 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]CCc2ccc(OC)c(OC)c2)c1 ZINC000146644641 426258636 /nfs/dbraw/zinc/25/86/36/426258636.db2.gz RECCBMCEIJQZRX-UHFFFAOYSA-N 0 3 317.385 2.750 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000151386447 426292859 /nfs/dbraw/zinc/29/28/59/426292859.db2.gz USUPQVYFMPIJPX-YOEHRIQHSA-N 0 3 323.458 2.935 20 10 DFCDHN CC[C@H](N[C@H](C)CS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000089636624 426300376 /nfs/dbraw/zinc/30/03/76/426300376.db2.gz IVROLALFKPNLAJ-CJNGLKHVSA-N 0 3 312.479 2.617 20 10 DFCDHN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000120554460 426312668 /nfs/dbraw/zinc/31/26/68/426312668.db2.gz ZZZVWGXKLOJPQC-ZNMIVQPWSA-N 0 3 303.450 2.630 20 10 DFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1Cl ZINC000121138859 426321787 /nfs/dbraw/zinc/32/17/87/426321787.db2.gz DODXCXXSQMHMTM-AWEZNQCLSA-N 0 3 321.804 2.917 20 10 DFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1Cl ZINC000121138859 426321790 /nfs/dbraw/zinc/32/17/90/426321790.db2.gz DODXCXXSQMHMTM-AWEZNQCLSA-N 0 3 321.804 2.917 20 10 DFCDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cncc(F)c1 ZINC000151071698 426276263 /nfs/dbraw/zinc/27/62/63/426276263.db2.gz LJLUQINFSQFUCW-CQSZACIVSA-N 0 3 315.392 2.908 20 10 DFCDHN [O-]c1cc2c(cc1CN1CCC[C@H]([NH+]3CCCCC3)C1)OCO2 ZINC000152538318 426345265 /nfs/dbraw/zinc/34/52/65/426345265.db2.gz PWMLGKQOSMXJGU-HNNXBMFYSA-N 0 3 318.417 2.571 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1[O-] ZINC000092810803 426353549 /nfs/dbraw/zinc/35/35/49/426353549.db2.gz ZIMPLIUWHSRVKD-UHFFFAOYSA-N 0 3 301.390 2.894 20 10 DFCDHN CC[C@@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1ccc(C)cc1[O-] ZINC000280065948 426503197 /nfs/dbraw/zinc/50/31/97/426503197.db2.gz KSGSCJHRZGMGFF-MRXNPFEDSA-N 0 3 300.402 2.949 20 10 DFCDHN CC[C@H]([NH2+]C1CCN(CCOC)CC1)c1ccc(C)cc1[O-] ZINC000280142338 426505922 /nfs/dbraw/zinc/50/59/22/426505922.db2.gz PSNKEACXLZSTNV-KRWDZBQOSA-N 0 3 306.450 2.852 20 10 DFCDHN CN(C)c1ccc(CN(C)[C@H](CC(N)=O)c2ccccc2)cc1 ZINC000280557919 426599852 /nfs/dbraw/zinc/59/98/52/426599852.db2.gz QZSJALLPGAWBLF-GOSISDBHSA-N 0 3 311.429 2.801 20 10 DFCDHN Cc1cc(Br)cc(CN2C[C@@H](O)C(C)(C)C2)c1O ZINC000280356653 426559073 /nfs/dbraw/zinc/55/90/73/426559073.db2.gz CHHPJEKVUFABAH-GFCCVEGCSA-N 0 3 314.223 2.666 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C2CCN(C3CC3)CC2)c1[O-] ZINC000228670264 426634733 /nfs/dbraw/zinc/63/47/33/426634733.db2.gz VZNCIRRPWQRQTR-UHFFFAOYSA-N 0 3 310.825 2.771 20 10 DFCDHN CCN(CC)CCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273444781 426665355 /nfs/dbraw/zinc/66/53/55/426665355.db2.gz ZRSMSIWUHHKJOL-CYBMUJFWSA-N 0 3 308.422 2.561 20 10 DFCDHN CC[NH+](CC)CCCN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273444781 426665357 /nfs/dbraw/zinc/66/53/57/426665357.db2.gz ZRSMSIWUHHKJOL-CYBMUJFWSA-N 0 3 308.422 2.561 20 10 DFCDHN COCCOCc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000289746043 426672672 /nfs/dbraw/zinc/67/26/72/426672672.db2.gz NPTPCKHZNNBHJR-UHFFFAOYSA-N 0 3 301.386 2.845 20 10 DFCDHN CCOC(=O)C[C@](C)([NH2+]Cc1cc(OC)ccc1[O-])C(C)C ZINC000187705863 426687249 /nfs/dbraw/zinc/68/72/49/426687249.db2.gz GDXQZOHXQGSZLO-KRWDZBQOSA-N 0 3 309.406 2.858 20 10 DFCDHN CN(Cc1ccccc1O)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000289946224 426676980 /nfs/dbraw/zinc/67/69/80/426676980.db2.gz UPHAHJKMSSZYMX-KRWDZBQOSA-N 0 3 308.397 2.563 20 10 DFCDHN COc1cccc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1[O-] ZINC000227601999 426628726 /nfs/dbraw/zinc/62/87/26/426628726.db2.gz VTRIJEFARZSMBV-UHFFFAOYSA-N 0 3 324.421 2.794 20 10 DFCDHN CN(C)[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccs1 ZINC000237027816 426688702 /nfs/dbraw/zinc/68/87/02/426688702.db2.gz CWHPPLDZDIVPQE-GFCCVEGCSA-N 0 3 320.414 2.575 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000281136935 426703120 /nfs/dbraw/zinc/70/31/20/426703120.db2.gz DKOOVDSRDLKOAP-RYUDHWBXSA-N 0 3 309.406 2.703 20 10 DFCDHN C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1cc(F)ccc1[O-] ZINC000290205307 426716530 /nfs/dbraw/zinc/71/65/30/426716530.db2.gz GXFPWOFVEHNEBG-IXBGWNDUSA-N 0 3 303.333 2.677 20 10 DFCDHN CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c([O-])c1 ZINC000290427434 426763070 /nfs/dbraw/zinc/76/30/70/426763070.db2.gz LESZTPBBHCRWLI-WMLDXEAASA-N 0 3 306.450 2.953 20 10 DFCDHN CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c([O-])c1 ZINC000290427434 426763077 /nfs/dbraw/zinc/76/30/77/426763077.db2.gz LESZTPBBHCRWLI-WMLDXEAASA-N 0 3 306.450 2.953 20 10 DFCDHN Oc1ccccc1CN1CCN(c2nc3ccccc3o2)CC1 ZINC000179571509 426801120 /nfs/dbraw/zinc/80/11/20/426801120.db2.gz MGUFBXFEOANQFU-UHFFFAOYSA-N 0 3 309.369 2.856 20 10 DFCDHN CCCCNC(=O)C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000179699197 426812095 /nfs/dbraw/zinc/81/20/95/426812095.db2.gz FHMIHAMWHUUOHD-UHFFFAOYSA-N 0 3 304.434 2.829 20 10 DFCDHN CCOc1ccc(O)c(CN2CC[C@@H](n3cc(C)cn3)C2)c1 ZINC000290799904 426841044 /nfs/dbraw/zinc/84/10/44/426841044.db2.gz FFCVLFXEJRYZCK-OAHLLOKOSA-N 0 3 301.390 2.743 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c1 ZINC000290799904 426841051 /nfs/dbraw/zinc/84/10/51/426841051.db2.gz FFCVLFXEJRYZCK-OAHLLOKOSA-N 0 3 301.390 2.743 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c1 ZINC000290799904 426841054 /nfs/dbraw/zinc/84/10/54/426841054.db2.gz FFCVLFXEJRYZCK-OAHLLOKOSA-N 0 3 301.390 2.743 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000282475327 426915359 /nfs/dbraw/zinc/91/53/59/426915359.db2.gz WQDRVMPDZXMYAO-SFHVURJKSA-N 0 3 301.361 2.845 20 10 DFCDHN CCN(CC)c1ccc(CNCC2([S@](C)=O)CC2)cc1F ZINC000282482108 426915796 /nfs/dbraw/zinc/91/57/96/426915796.db2.gz VLZVTPIWWBREAE-NRFANRHFSA-N 0 3 312.454 2.673 20 10 DFCDHN C[C@@H](CC(N)=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282860824 426930342 /nfs/dbraw/zinc/93/03/42/426930342.db2.gz UPIRGKFMRKGHMM-STQMWFEESA-N 0 3 323.868 2.930 20 10 DFCDHN CC[C@H](C)c1nc([C@@H](C)NCc2cccc(OC)c2O)n[nH]1 ZINC000277155167 427138902 /nfs/dbraw/zinc/13/89/02/427138902.db2.gz GCWQMRYDAFXBRU-WDEREUQCSA-N 0 3 304.394 2.883 20 10 DFCDHN CC(C)[C@H](C(=O)N(C)Cc1ccccc1O)N1CCCCC1 ZINC000269147221 427149418 /nfs/dbraw/zinc/14/94/18/427149418.db2.gz MYBJIZFPTATVGN-QGZVFWFLSA-N 0 3 304.434 2.861 20 10 DFCDHN Cc1cc(Br)cc(CN2CC[C@H](O)C[C@@H]2C)c1O ZINC000292855150 427200642 /nfs/dbraw/zinc/20/06/42/427200642.db2.gz URJSPNFEVBSOBQ-GWCFXTLKSA-N 0 3 314.223 2.808 20 10 DFCDHN COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183519582 427283906 /nfs/dbraw/zinc/28/39/06/427283906.db2.gz WRULNFFDCJIWOS-KZULUSFZSA-N 0 3 317.385 2.794 20 10 DFCDHN C[C@H](c1ccccc1[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296647448 427226829 /nfs/dbraw/zinc/22/68/29/427226829.db2.gz YOKDDRNHMDYVJL-QLFBSQMISA-N 0 3 310.397 2.734 20 10 DFCDHN C[C@H](c1ccccc1[O-])[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296647448 427226836 /nfs/dbraw/zinc/22/68/36/427226836.db2.gz YOKDDRNHMDYVJL-QLFBSQMISA-N 0 3 310.397 2.734 20 10 DFCDHN C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000183394048 427259464 /nfs/dbraw/zinc/25/94/64/427259464.db2.gz XMQIHJGFDMYIFM-KFWWJZLASA-N 0 3 306.450 2.931 20 10 DFCDHN NC(=O)[C@@H]1CCCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000271046152 427386387 /nfs/dbraw/zinc/38/63/87/427386387.db2.gz QZBCGLDINIFYAW-KRWDZBQOSA-N 0 3 310.397 2.899 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1C ZINC000278057219 427394496 /nfs/dbraw/zinc/39/44/96/427394496.db2.gz YMMJJAFXECHSNC-INIZCTEOSA-N 0 3 306.450 2.600 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000278131099 427414310 /nfs/dbraw/zinc/41/43/10/427414310.db2.gz CFGLDQPNGJKEDF-JSGCOSHPSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000278131099 427414314 /nfs/dbraw/zinc/41/43/14/427414314.db2.gz CFGLDQPNGJKEDF-JSGCOSHPSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1cccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278131099 427414319 /nfs/dbraw/zinc/41/43/19/427414319.db2.gz CFGLDQPNGJKEDF-JSGCOSHPSA-N 0 3 303.324 2.836 20 10 DFCDHN CCN(CC)c1ccc(CNC[C@](C)(O)C(F)(F)F)cc1 ZINC000270472661 427359128 /nfs/dbraw/zinc/35/91/28/427359128.db2.gz HXQNBKIFNOZYPP-AWEZNQCLSA-N 0 3 304.356 2.936 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c([O-])c1 ZINC000270490781 427361942 /nfs/dbraw/zinc/36/19/42/427361942.db2.gz LDHDSNDJWRGXHG-ZDUSSCGKSA-N 0 3 307.312 2.584 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@H](CC)[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000270773238 427366109 /nfs/dbraw/zinc/36/61/09/427366109.db2.gz ARVNJDYZNOEBDH-TZMCWYRMSA-N 0 3 321.339 2.972 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c([O-])c1 ZINC000278789096 427451824 /nfs/dbraw/zinc/45/18/24/427451824.db2.gz YQKIPCXGWDOZOP-CVEARBPZSA-N 0 3 306.450 2.852 20 10 DFCDHN CC[C@H](N[C@@H](COC)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000278806003 427461924 /nfs/dbraw/zinc/46/19/24/427461924.db2.gz NENMRTLOOGCHJP-BZSNNMDCSA-N 0 3 306.450 2.987 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c([O-])c1 ZINC000278426944 427440122 /nfs/dbraw/zinc/44/01/22/427440122.db2.gz JBZDEJNFKZYZNB-GJZGRUSLSA-N 0 3 314.433 2.754 20 10 DFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@]1(CCO)CCOC1 ZINC000278507234 427442959 /nfs/dbraw/zinc/44/29/59/427442959.db2.gz PAOFWPZAAGCYTQ-LJQANCHMSA-N 0 3 313.397 2.690 20 10 DFCDHN COC[C@@H](NCc1ccc(N2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000278673346 427445544 /nfs/dbraw/zinc/44/55/44/427445544.db2.gz OIZIOGTZALTSKK-MOPGFXCFSA-N 0 3 318.461 2.961 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000184698469 427520513 /nfs/dbraw/zinc/52/05/13/427520513.db2.gz IYDYHHQKHGMCBL-RISCZKNCSA-N 0 3 312.841 2.969 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000184698469 427520518 /nfs/dbraw/zinc/52/05/18/427520518.db2.gz IYDYHHQKHGMCBL-RISCZKNCSA-N 0 3 312.841 2.969 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184914316 427564682 /nfs/dbraw/zinc/56/46/82/427564682.db2.gz BOUKXHXHZDSNHY-OAGGEKHMSA-N 0 3 306.450 2.851 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c([O-])c1 ZINC000184915721 427564792 /nfs/dbraw/zinc/56/47/92/427564792.db2.gz UHHPVVSSJPVAIB-DOTOQJQBSA-N 0 3 306.450 2.708 20 10 DFCDHN C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccccc1[O-] ZINC000271699029 427579982 /nfs/dbraw/zinc/57/99/82/427579982.db2.gz SZHAUSOSYSEKAL-ZDUSSCGKSA-N 0 3 324.380 2.729 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]CCC[C@@H](C)CO)c1[O-] ZINC000271802924 427585208 /nfs/dbraw/zinc/58/52/08/427585208.db2.gz JDOBTGVDCUCNSF-SNVBAGLBSA-N 0 3 316.239 2.961 20 10 DFCDHN COc1cc(O)c(CN[C@@H]2CCc3c2cccc3O)cc1OC ZINC000271900579 427592094 /nfs/dbraw/zinc/59/20/94/427592094.db2.gz VNSQFJZABKHOLD-CQSZACIVSA-N 0 3 315.369 2.892 20 10 DFCDHN CC[C@@H]([NH2+]CC1(OCCOC)CCOCC1)c1ccccc1[O-] ZINC000294775924 427656787 /nfs/dbraw/zinc/65/67/87/427656787.db2.gz KRRSTYOMPWKBIJ-MRXNPFEDSA-N 0 3 323.433 2.645 20 10 DFCDHN CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])C(C)C ZINC000295024040 427669808 /nfs/dbraw/zinc/66/98/08/427669808.db2.gz KZENOIGPWRMTFN-LRDDRELGSA-N 0 3 308.422 2.554 20 10 DFCDHN CCN(C)C(=O)[C@@H](N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000295024040 427669815 /nfs/dbraw/zinc/66/98/15/427669815.db2.gz KZENOIGPWRMTFN-LRDDRELGSA-N 0 3 308.422 2.554 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000295000102 427670378 /nfs/dbraw/zinc/67/03/78/427670378.db2.gz LFVZQGMFHXOHHN-CRAIPNDOSA-N 0 3 314.385 2.806 20 10 DFCDHN C[C@@H]1OCC[C@]12C[N@H+](Cc1c([O-])ccc3ccccc31)CCO2 ZINC000279656549 427716151 /nfs/dbraw/zinc/71/61/51/427716151.db2.gz LGCPKLOFZXHBOM-LIRRHRJNSA-N 0 3 313.397 2.925 20 10 DFCDHN C[C@@H]1OCC[C@]12C[N@@H+](Cc1c([O-])ccc3ccccc31)CCO2 ZINC000279656549 427716157 /nfs/dbraw/zinc/71/61/57/427716157.db2.gz LGCPKLOFZXHBOM-LIRRHRJNSA-N 0 3 313.397 2.925 20 10 DFCDHN CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(C)cc1[O-] ZINC000280007375 427727389 /nfs/dbraw/zinc/72/73/89/427727389.db2.gz GLPQWZOSDXIADW-QGZVFWFLSA-N 0 3 306.450 2.588 20 10 DFCDHN CC[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N(CC)CC ZINC000359848637 428043118 /nfs/dbraw/zinc/04/31/18/428043118.db2.gz CHUPMHKAJAEFCI-OAHLLOKOSA-N 0 3 319.449 2.598 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1[O-] ZINC000370351538 428192139 /nfs/dbraw/zinc/19/21/39/428192139.db2.gz PWMNEUAAQWSVDQ-UAGQMJEPSA-N 0 3 304.434 2.686 20 10 DFCDHN CCOC(=O)CCCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000360186748 428196029 /nfs/dbraw/zinc/19/60/29/428196029.db2.gz HISSDVZMKBSUOK-UHFFFAOYSA-N 0 3 320.433 2.551 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402923 428388982 /nfs/dbraw/zinc/38/89/82/428388982.db2.gz FPYIURFMEWVYFC-BMFZPTHFSA-N 0 3 306.837 2.962 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402923 428388984 /nfs/dbraw/zinc/38/89/84/428388984.db2.gz FPYIURFMEWVYFC-BMFZPTHFSA-N 0 3 306.837 2.962 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000371423262 428389655 /nfs/dbraw/zinc/38/96/55/428389655.db2.gz BWJMWTFPQSOUNE-OAHLLOKOSA-N 0 3 301.390 2.652 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000371423262 428389660 /nfs/dbraw/zinc/38/96/60/428389660.db2.gz BWJMWTFPQSOUNE-OAHLLOKOSA-N 0 3 301.390 2.652 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000360671938 428392195 /nfs/dbraw/zinc/39/21/95/428392195.db2.gz MKBVEBYGFOEOGD-QGZVFWFLSA-N 0 3 305.324 2.764 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000360671938 428392200 /nfs/dbraw/zinc/39/22/00/428392200.db2.gz MKBVEBYGFOEOGD-QGZVFWFLSA-N 0 3 305.324 2.764 20 10 DFCDHN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(Cl)ccc1[O-] ZINC000371471471 428393208 /nfs/dbraw/zinc/39/32/08/428393208.db2.gz UQKOMSYHSRIHRD-VYDXJSESSA-N 0 3 324.852 2.729 20 10 DFCDHN Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)nn1 ZINC000371674095 428400738 /nfs/dbraw/zinc/40/07/38/428400738.db2.gz DFRXFMUSWZQUQL-GJZGRUSLSA-N 0 3 312.417 2.810 20 10 DFCDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)c1ccoc1 ZINC000373111704 428516966 /nfs/dbraw/zinc/51/69/66/428516966.db2.gz HYHWGACFWFQWNM-UHFFFAOYSA-N 0 3 318.348 2.519 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1[O-] ZINC000373227955 428523679 /nfs/dbraw/zinc/52/36/79/428523679.db2.gz LCKSARIYZUQHSN-AWEZNQCLSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1[O-] ZINC000373227955 428523684 /nfs/dbraw/zinc/52/36/84/428523684.db2.gz LCKSARIYZUQHSN-AWEZNQCLSA-N 0 3 301.390 2.514 20 10 DFCDHN C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cc(Cl)ccc1[O-] ZINC000373252471 428528571 /nfs/dbraw/zinc/52/85/71/428528571.db2.gz NMXXPNFDLGWOMH-YUTCNCBUSA-N 0 3 310.825 2.559 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@@H]2c2cn(C)nc2C)c1 ZINC000362043236 428613821 /nfs/dbraw/zinc/61/38/21/428613821.db2.gz DRZZKMLQRJZWNJ-MRXNPFEDSA-N 0 3 301.390 2.780 20 10 DFCDHN COc1cccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000291807575 274146505 /nfs/dbraw/zinc/14/65/05/274146505.db2.gz XUVZJRBCBPJOHQ-AWEZNQCLSA-N 0 3 316.376 2.908 20 10 DFCDHN CCOc1cccc(CN2CCC[C@H](c3noc(C)n3)C2)c1O ZINC000362385760 428726003 /nfs/dbraw/zinc/72/60/03/428726003.db2.gz HFHSDSGDDSDDFE-AWEZNQCLSA-N 0 3 317.389 2.862 20 10 DFCDHN COCCn1cc(CNCc2c(C)c3ccccc3n2C)cn1 ZINC000355110811 429029500 /nfs/dbraw/zinc/02/95/00/429029500.db2.gz CAYSNFRFPFOHQB-UHFFFAOYSA-N 0 3 312.417 2.619 20 10 DFCDHN Cc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000363854601 429000272 /nfs/dbraw/zinc/00/02/72/429000272.db2.gz MIGAJUTWIHJJEK-JSGCOSHPSA-N 0 3 300.406 2.575 20 10 DFCDHN O=C(c1cn[n-]c1[C@@H]1CCC[NH2+]C1)N1CC2(CC2)c2ccccc21 ZINC000423205374 429054547 /nfs/dbraw/zinc/05/45/47/429054547.db2.gz PKFXXTANETVMEG-CYBMUJFWSA-N 0 3 322.412 2.569 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000364762021 429263747 /nfs/dbraw/zinc/26/37/47/429263747.db2.gz XFPLCGRQLZINER-MRXNPFEDSA-N 0 3 317.433 2.723 20 10 DFCDHN CC[C@@H](c1ccccc1O)N1CCc2nnc(N(C)C)cc2C1 ZINC000366692399 429496557 /nfs/dbraw/zinc/49/65/57/429496557.db2.gz SAERKPGBASUODB-INIZCTEOSA-N 0 3 312.417 2.758 20 10 DFCDHN Cc1cccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC000366724799 429500663 /nfs/dbraw/zinc/50/06/63/429500663.db2.gz FPLFMEBDEZNMJN-WBVHZDCISA-N 0 3 316.445 2.971 20 10 DFCDHN Cc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000366775899 429512493 /nfs/dbraw/zinc/51/24/93/429512493.db2.gz YWTMIVVCHXNRTK-VKJFTORMSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1[O-] ZINC000366775899 429512499 /nfs/dbraw/zinc/51/24/99/429512499.db2.gz YWTMIVVCHXNRTK-VKJFTORMSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1[O-] ZINC000366775899 429512505 /nfs/dbraw/zinc/51/25/05/429512505.db2.gz YWTMIVVCHXNRTK-VKJFTORMSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1ccncc1/C=C\C(=O)N(CCN(C)C)c1ccccc1 ZINC000492543833 429562987 /nfs/dbraw/zinc/56/29/87/429562987.db2.gz YAKMSMPOZVDQGJ-KTKRTIGZSA-N 0 3 309.413 2.998 20 10 DFCDHN COC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cc(OC)ccc2[O-])CC1(C)C ZINC000367315966 429618552 /nfs/dbraw/zinc/61/85/52/429618552.db2.gz BMRUKHLRXMMLEO-SMDDNHRTSA-N 0 3 307.390 2.593 20 10 DFCDHN COC(=O)[C@H]1C[N@H+]([C@@H](C)c2cc(OC)ccc2[O-])CC1(C)C ZINC000367315966 429618558 /nfs/dbraw/zinc/61/85/58/429618558.db2.gz BMRUKHLRXMMLEO-SMDDNHRTSA-N 0 3 307.390 2.593 20 10 DFCDHN CN(C)c1ccc(CN(C)C(=O)CN2CC3CCC2CC3)cc1 ZINC000367395569 429640426 /nfs/dbraw/zinc/64/04/26/429640426.db2.gz CGVOERCUOJBFDX-UHFFFAOYSA-N 0 3 315.461 2.585 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c([O-])c1C ZINC000367439163 429648554 /nfs/dbraw/zinc/64/85/54/429648554.db2.gz RXDCPNRGPWCYII-YLQAJVPDSA-N 0 3 302.418 2.717 20 10 DFCDHN CN1C(=O)CC[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]1c1cccs1 ZINC000367546156 429669551 /nfs/dbraw/zinc/66/95/51/429669551.db2.gz DBQPSJYXQJBQEX-DYVFJYSZSA-N 0 3 316.426 2.905 20 10 DFCDHN CCOc1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)c([O-])c1 ZINC000527804751 429801288 /nfs/dbraw/zinc/80/12/88/429801288.db2.gz BARIRJXMSIBWFJ-MRXNPFEDSA-N 0 3 304.434 2.897 20 10 DFCDHN CN1C(=O)c2ccccc2[C@H]1CNCc1ccc2c(c1)CCO2 ZINC000527804081 429802284 /nfs/dbraw/zinc/80/22/84/429802284.db2.gz BDZDJOPJPBZKKO-QGZVFWFLSA-N 0 3 308.381 2.538 20 10 DFCDHN O=C(NCc1ccccc1O)NC[C@@H]1CCN1C1CCCCC1 ZINC000528147248 429854094 /nfs/dbraw/zinc/85/40/94/429854094.db2.gz DGGFQFWIOKKZBZ-INIZCTEOSA-N 0 3 317.433 2.598 20 10 DFCDHN COCC[C@H]1CCCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000368679349 429886677 /nfs/dbraw/zinc/88/66/77/429886677.db2.gz YGSGTOLJCRICEK-CYBMUJFWSA-N 0 3 307.390 2.760 20 10 DFCDHN COCC[C@H]1CCCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000368679349 429886680 /nfs/dbraw/zinc/88/66/80/429886680.db2.gz YGSGTOLJCRICEK-CYBMUJFWSA-N 0 3 307.390 2.760 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC000368795291 429894085 /nfs/dbraw/zinc/89/40/85/429894085.db2.gz FBTBXKRMRIOAKE-NXHRZFHOSA-N 0 3 318.461 2.886 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC000368795291 429894086 /nfs/dbraw/zinc/89/40/86/429894086.db2.gz FBTBXKRMRIOAKE-NXHRZFHOSA-N 0 3 318.461 2.886 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000368587980 429873029 /nfs/dbraw/zinc/87/30/29/429873029.db2.gz FGXUCMNPFYDNLY-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000368587980 429873031 /nfs/dbraw/zinc/87/30/31/429873031.db2.gz FGXUCMNPFYDNLY-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCN2C2CCCCC2)c1 ZINC000529640349 430045697 /nfs/dbraw/zinc/04/56/97/430045697.db2.gz LKCZPKJSSPXJRB-INIZCTEOSA-N 0 3 304.434 2.897 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCN2C2CCCCC2)c1 ZINC000529640350 430045836 /nfs/dbraw/zinc/04/58/36/430045836.db2.gz LKCZPKJSSPXJRB-MRXNPFEDSA-N 0 3 304.434 2.897 20 10 DFCDHN COc1ccc(CC[NH2+]Cc2cc(Cl)cc(OC)c2[O-])cn1 ZINC000529663693 430047177 /nfs/dbraw/zinc/04/71/77/430047177.db2.gz ZMYOWVRNFWIRFE-UHFFFAOYSA-N 0 3 322.792 2.790 20 10 DFCDHN Cc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000529675799 430050425 /nfs/dbraw/zinc/05/04/25/430050425.db2.gz JMHWADBGEPCPKX-CKNLXJGOSA-N 0 3 313.850 2.839 20 10 DFCDHN COc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c1[O-] ZINC000365164730 278013374 /nfs/dbraw/zinc/01/33/74/278013374.db2.gz RVFSMXBHLLVTEE-MAUKXSAKSA-N 0 3 313.397 2.786 20 10 DFCDHN COc1cccc(CN[C@H]2c3ccccc3CC[C@H]2CO)c1O ZINC000365164730 278013375 /nfs/dbraw/zinc/01/33/75/278013375.db2.gz RVFSMXBHLLVTEE-MAUKXSAKSA-N 0 3 313.397 2.786 20 10 DFCDHN C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000285609403 289947141 /nfs/dbraw/zinc/94/71/41/289947141.db2.gz JAXSTYQNMIOGLF-AWEZNQCLSA-N 0 3 324.490 2.761 20 10 DFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)CO)c1[O-] ZINC000187052268 301070356 /nfs/dbraw/zinc/07/03/56/301070356.db2.gz RZJCXJSGTLKVQT-WPRPVWTQSA-N 0 3 302.212 2.742 20 10 DFCDHN C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2c([O-])ccc3ccccc32)CC1=O ZINC000363415899 331901967 /nfs/dbraw/zinc/90/19/67/331901967.db2.gz YUXQAOXKLXTYFY-IFIJOSMWSA-N 0 3 310.397 2.644 20 10 DFCDHN COc1ccc(O)c(CN[C@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293773967 335113500 /nfs/dbraw/zinc/11/35/00/335113500.db2.gz YUVVECXWDBFWJR-QGZVFWFLSA-N 0 3 316.401 2.645 20 10 DFCDHN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000294766854 335127300 /nfs/dbraw/zinc/12/73/00/335127300.db2.gz YVYZOHSQQQXIAV-ZBFHGGJFSA-N 0 3 304.434 2.692 20 10 DFCDHN CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000185190052 333205151 /nfs/dbraw/zinc/20/51/51/333205151.db2.gz UCNZYXMKJHNQKY-DZGCQCFKSA-N 0 3 307.390 2.804 20 10 DFCDHN O=C1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CN1c1ccccc1 ZINC000295799709 335138155 /nfs/dbraw/zinc/13/81/55/335138155.db2.gz CAKRBEKQEIQPCK-ZBFHGGJFSA-N 0 3 308.381 2.775 20 10 DFCDHN COC1CCN(c2ccc(CN3C[C@H](O)C(C)(C)C3)cc2)CC1 ZINC000295863072 335140114 /nfs/dbraw/zinc/14/01/14/335140114.db2.gz CBPRFCOOTOHGEW-SFHVURJKSA-N 0 3 318.461 2.505 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc(C)cc1[O-] ZINC000297305382 335152893 /nfs/dbraw/zinc/15/28/93/335152893.db2.gz MOUFCOGMIGWWEI-DOTOQJQBSA-N 0 3 306.450 2.588 20 10 DFCDHN C[C@@H](NCC1=CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC000267114130 333979420 /nfs/dbraw/zinc/97/94/20/333979420.db2.gz OAWQZEGGEGISOD-OAHLLOKOSA-N 0 3 302.418 2.521 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000273459309 334047035 /nfs/dbraw/zinc/04/70/35/334047035.db2.gz HUTPZSIGKQQJCY-IINYFYTJSA-N 0 3 315.373 2.630 20 10 DFCDHN C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000273463344 334047332 /nfs/dbraw/zinc/04/73/32/334047332.db2.gz INLLQLHYZPNNTC-IAQYHMDHSA-N 0 3 307.340 2.925 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(C)cc1[O-] ZINC000280193670 334114920 /nfs/dbraw/zinc/11/49/20/334114920.db2.gz SJUNNHAUBMDKNQ-WBVHZDCISA-N 0 3 306.450 2.588 20 10 DFCDHN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NCCF ZINC000282835875 334137467 /nfs/dbraw/zinc/13/74/67/334137467.db2.gz SLTZDURWIJXEML-HUUCEWRRSA-N 0 3 321.440 2.802 20 10 DFCDHN CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000290217990 334171552 /nfs/dbraw/zinc/17/15/52/334171552.db2.gz QOFIBSWZUQFGAO-OWQGQXMQSA-N 0 3 322.424 2.880 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(C)cc1[O-] ZINC000366859334 335221658 /nfs/dbraw/zinc/22/16/58/335221658.db2.gz TZOOYGPUAWFXAS-UXLLHSPISA-N 0 3 304.434 2.605 20 10 DFCDHN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000352110155 336195264 /nfs/dbraw/zinc/19/52/64/336195264.db2.gz AETQEDSJNVMUNJ-QGZVFWFLSA-N 0 3 301.434 2.689 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccc(C)cc1[O-] ZINC000367258995 336581609 /nfs/dbraw/zinc/58/16/09/336581609.db2.gz GBEKHCYOJKZTBU-GOEBONIOSA-N 0 3 302.418 2.943 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000367373614 336733345 /nfs/dbraw/zinc/73/33/45/336733345.db2.gz XNLDAZNZLLERIP-HNNXBMFYSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(Cn2ccnn2)CC1 ZINC000369890985 336873740 /nfs/dbraw/zinc/87/37/40/336873740.db2.gz ZMGQUYWLADINFZ-MRXNPFEDSA-N 0 3 300.406 2.847 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000371515297 336906884 /nfs/dbraw/zinc/90/68/84/336906884.db2.gz VCLGFSOLQCAIQR-HOCLYGCPSA-N 0 3 311.809 2.782 20 10 DFCDHN Cc1noc(C2(C)CC[NH+](Cc3cccc(C)c3[O-])CC2)n1 ZINC000374730417 336995990 /nfs/dbraw/zinc/99/59/90/336995990.db2.gz ANXRMKJMYHDWFO-UHFFFAOYSA-N 0 3 301.390 2.946 20 10 DFCDHN O=C([C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2)N1CCCC1 ZINC000374810352 336997450 /nfs/dbraw/zinc/99/74/50/336997450.db2.gz VURWJSBWDYWCQP-MRXNPFEDSA-N 0 3 314.429 2.617 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCCC[C@H]3CO2)c([O-])c1C ZINC000375242463 337006382 /nfs/dbraw/zinc/00/63/82/337006382.db2.gz OJOFTUMWFRVWDM-ULQDDVLXSA-N 0 3 318.461 2.913 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000375971998 337024478 /nfs/dbraw/zinc/02/44/78/337024478.db2.gz CTIWZLPRUTUMJV-GDBMZVCRSA-N 0 3 300.406 2.847 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000375971998 337024479 /nfs/dbraw/zinc/02/44/79/337024479.db2.gz CTIWZLPRUTUMJV-GDBMZVCRSA-N 0 3 300.406 2.847 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cc1C ZINC000376002898 337025012 /nfs/dbraw/zinc/02/50/12/337025012.db2.gz GINRYYORAYCEFB-WBVHZDCISA-N 0 3 316.445 2.890 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@H]2CCn3ccnc3C2)c([O-])c1 ZINC000376109988 337027280 /nfs/dbraw/zinc/02/72/80/337027280.db2.gz FTTYGCQCJWNUBZ-AWEZNQCLSA-N 0 3 315.417 2.730 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1[O-] ZINC000376147094 337028350 /nfs/dbraw/zinc/02/83/50/337028350.db2.gz YQPVYKGBSIEYHG-CABCVRRESA-N 0 3 317.433 2.723 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccncn3)C2)c([O-])c1 ZINC000376310084 337031157 /nfs/dbraw/zinc/03/11/57/337031157.db2.gz XPCWPOLFCFIYJQ-LSDHHAIUSA-N 0 3 312.417 2.810 20 10 DFCDHN CC[C@@H]1CN(Cc2cc(OC)ccc2O)C[C@]2(CCCOC2)O1 ZINC000376440035 337033513 /nfs/dbraw/zinc/03/35/13/337033513.db2.gz DPQUBKKLMGIPPJ-QAPCUYQASA-N 0 3 321.417 2.561 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)C[C@H]2CCc3nccn3C2)c1 ZINC000377687671 337058408 /nfs/dbraw/zinc/05/84/08/337058408.db2.gz ALVGWGXUTZDZCW-ZIAGYGMSSA-N 0 3 315.417 2.853 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)C[C@H]2CCc3nccn3C2)c1 ZINC000377687671 337058409 /nfs/dbraw/zinc/05/84/09/337058409.db2.gz ALVGWGXUTZDZCW-ZIAGYGMSSA-N 0 3 315.417 2.853 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378380720 337071363 /nfs/dbraw/zinc/07/13/63/337071363.db2.gz VTNUMFSSWCMODK-SJLPKXTDSA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378380720 337071364 /nfs/dbraw/zinc/07/13/64/337071364.db2.gz VTNUMFSSWCMODK-SJLPKXTDSA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1cccc(CN2CCCN(C(=O)c3ccoc3)CC2)c1O ZINC000378445376 337072879 /nfs/dbraw/zinc/07/28/79/337072879.db2.gz UGISVCSJWLXTBO-UHFFFAOYSA-N 0 3 314.385 2.642 20 10 DFCDHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000378448114 337073108 /nfs/dbraw/zinc/07/31/08/337073108.db2.gz BPTCSLGPAJTYPR-QGZVFWFLSA-N 0 3 310.397 2.591 20 10 DFCDHN Cc1cccc(CN[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000378448114 337073109 /nfs/dbraw/zinc/07/31/09/337073109.db2.gz BPTCSLGPAJTYPR-QGZVFWFLSA-N 0 3 310.397 2.591 20 10 DFCDHN Cc1cccc(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000378448110 337073115 /nfs/dbraw/zinc/07/31/15/337073115.db2.gz BPTCSLGPAJTYPR-KRWDZBQOSA-N 0 3 310.397 2.591 20 10 DFCDHN Cc1cccc(CN[C@H]2CC(=O)N(Cc3ccccc3)C2)c1O ZINC000378448110 337073116 /nfs/dbraw/zinc/07/31/16/337073116.db2.gz BPTCSLGPAJTYPR-KRWDZBQOSA-N 0 3 310.397 2.591 20 10 DFCDHN O=C([C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)N1CCCCC1 ZINC000378493860 337074435 /nfs/dbraw/zinc/07/44/35/337074435.db2.gz JBJHAOAEMWJEQJ-AWEZNQCLSA-N 0 3 320.408 2.756 20 10 DFCDHN O=C([C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)N1CCCCC1 ZINC000378493860 337074436 /nfs/dbraw/zinc/07/44/36/337074436.db2.gz JBJHAOAEMWJEQJ-AWEZNQCLSA-N 0 3 320.408 2.756 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@@H](Cc3cnn(C)c3)C2)cc1F ZINC000360079117 337085173 /nfs/dbraw/zinc/08/51/73/337085173.db2.gz ZAYJBCFWONBQJV-HNNXBMFYSA-N 0 3 316.424 2.690 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c1 ZINC000194261929 337088416 /nfs/dbraw/zinc/08/84/16/337088416.db2.gz VSCBBOQRJYDLBJ-FUHWJXTLSA-N 0 3 319.493 2.623 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552341 337249072 /nfs/dbraw/zinc/24/90/72/337249072.db2.gz DPDJSEJZVIGSAY-LSDHHAIUSA-N 0 3 314.433 2.754 20 10 DFCDHN CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CC2 ZINC000185997514 337252456 /nfs/dbraw/zinc/25/24/56/337252456.db2.gz JWSNGWWPPJDTFU-WCQYABFASA-N 0 3 318.396 2.912 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000186213110 337254649 /nfs/dbraw/zinc/25/46/49/337254649.db2.gz IDOSSIYTVUPSHU-RHSMWYFYSA-N 0 3 314.433 2.835 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000186213145 337254666 /nfs/dbraw/zinc/25/46/66/337254666.db2.gz IDOSSIYTVUPSHU-WMLDXEAASA-N 0 3 314.433 2.835 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000186213130 337254696 /nfs/dbraw/zinc/25/46/96/337254696.db2.gz IDOSSIYTVUPSHU-YOEHRIQHSA-N 0 3 314.433 2.835 20 10 DFCDHN COc1ccc(N2CCCN(C[C@@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000188571857 337274112 /nfs/dbraw/zinc/27/41/12/337274112.db2.gz XDHQBEGDYJOMIB-QAPCUYQASA-N 0 3 304.434 2.775 20 10 DFCDHN COc1ccc(O)c(CN2CCC(Nc3nccs3)CC2)c1 ZINC000189953051 337284044 /nfs/dbraw/zinc/28/40/44/337284044.db2.gz KZUIWUUIEPHKAK-UHFFFAOYSA-N 0 3 319.430 2.934 20 10 DFCDHN CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261554884 341355826 /nfs/dbraw/zinc/35/58/26/341355826.db2.gz PHDMZBITPCJCSQ-LJQANCHMSA-N 0 3 323.440 2.544 20 10 DFCDHN CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261554883 341355857 /nfs/dbraw/zinc/35/58/57/341355857.db2.gz PHDMZBITPCJCSQ-IBGZPJMESA-N 0 3 323.440 2.544 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[O-] ZINC000247882191 341370989 /nfs/dbraw/zinc/37/09/89/341370989.db2.gz BZFXTLZLVUWSMC-GUYCJALGSA-N 0 3 320.408 2.650 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[O-] ZINC000247882191 341370990 /nfs/dbraw/zinc/37/09/90/341370990.db2.gz BZFXTLZLVUWSMC-GUYCJALGSA-N 0 3 320.408 2.650 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1[O-] ZINC000267428228 341591251 /nfs/dbraw/zinc/59/12/51/341591251.db2.gz BUZSVZOWECUAPT-MRXNPFEDSA-N 0 3 320.408 2.794 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc(C)o2)c([O-])c1 ZINC000266063561 520365590 /nfs/dbraw/zinc/36/55/90/520365590.db2.gz WIPHTJNWHSMZHD-INIZCTEOSA-N 0 3 305.374 2.906 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(C)o2)c([O-])c1 ZINC000266063565 520365904 /nfs/dbraw/zinc/36/59/04/520365904.db2.gz WIPHTJNWHSMZHD-MRXNPFEDSA-N 0 3 305.374 2.906 20 10 DFCDHN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179935830 520659079 /nfs/dbraw/zinc/65/90/79/520659079.db2.gz YAKVPJGAWAIWJR-MRXNPFEDSA-N 0 3 304.434 2.829 20 10 DFCDHN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179935830 520659086 /nfs/dbraw/zinc/65/90/86/520659086.db2.gz YAKVPJGAWAIWJR-MRXNPFEDSA-N 0 3 304.434 2.829 20 10 DFCDHN CCOc1cccc(C[NH2+][C@H](CO)Cc2cccc(C)c2)c1[O-] ZINC000189022888 521376793 /nfs/dbraw/zinc/37/67/93/521376793.db2.gz GCYUTKURQLNHSD-KRWDZBQOSA-N 0 3 315.413 2.793 20 10 DFCDHN CN(C)c1ccc(C2=CCN(C[C@@H](O)COC(C)(C)C)C2)cc1 ZINC000364965634 522155792 /nfs/dbraw/zinc/15/57/92/522155792.db2.gz BABOJDQUXCNAPV-GOSISDBHSA-N 0 3 318.461 2.628 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)cc1OC ZINC000182489596 522781160 /nfs/dbraw/zinc/78/11/60/522781160.db2.gz DFUXNGCDLKNGMO-DOTOQJQBSA-N 0 3 309.406 2.703 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1OC ZINC000182623260 522781526 /nfs/dbraw/zinc/78/15/26/522781526.db2.gz BXCMFSMCIUMZRO-CQSZACIVSA-N 0 3 321.417 2.991 20 10 DFCDHN COC(=O)COc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000183127120 523220820 /nfs/dbraw/zinc/22/08/20/523220820.db2.gz XJYCQHXXRXOLGW-UHFFFAOYSA-N 0 3 315.369 2.576 20 10 DFCDHN COC(=O)COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000183127120 523220824 /nfs/dbraw/zinc/22/08/24/523220824.db2.gz XJYCQHXXRXOLGW-UHFFFAOYSA-N 0 3 315.369 2.576 20 10 DFCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000190424375 523561622 /nfs/dbraw/zinc/56/16/22/523561622.db2.gz AZRBGDGZIVNAMH-HOCLYGCPSA-N 0 3 301.390 2.619 20 10 DFCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000190427408 523563271 /nfs/dbraw/zinc/56/32/71/523563271.db2.gz SVVQCXBOVFJIGV-RDJZCZTQSA-N 0 3 315.417 2.927 20 10 DFCDHN CCn1cnnc1[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000179878913 523600384 /nfs/dbraw/zinc/60/03/84/523600384.db2.gz XEQQATSEBUKNRZ-MRXNPFEDSA-N 0 3 313.449 2.744 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000179930860 524394434 /nfs/dbraw/zinc/39/44/34/524394434.db2.gz STLYMGAGFZIUPW-HNNXBMFYSA-N 0 3 304.434 2.685 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000179930860 524394442 /nfs/dbraw/zinc/39/44/42/524394442.db2.gz STLYMGAGFZIUPW-HNNXBMFYSA-N 0 3 304.434 2.685 20 10 DFCDHN Cc1cccc(C[NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000182671677 524432499 /nfs/dbraw/zinc/43/24/99/524432499.db2.gz IWEBJGOSDZBYAP-KRWDZBQOSA-N 0 3 324.424 2.839 20 10 DFCDHN COc1ccc([O-])c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000180242459 524739193 /nfs/dbraw/zinc/73/91/93/524739193.db2.gz HZZAWYRHBZSBEW-GOSISDBHSA-N 0 3 313.397 2.883 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000180242459 524739204 /nfs/dbraw/zinc/73/92/04/524739204.db2.gz HZZAWYRHBZSBEW-GOSISDBHSA-N 0 3 313.397 2.883 20 10 DFCDHN Cc1cc(O)c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1C ZINC000266186355 525322879 /nfs/dbraw/zinc/32/28/79/525322879.db2.gz HFJHFPYQUZKUOG-GOSISDBHSA-N 0 3 324.424 2.900 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]Cc2ccccc2Cn2cncn2)cc1C ZINC000266175267 525323875 /nfs/dbraw/zinc/32/38/75/525323875.db2.gz DIXQKTIZBZEMCV-UHFFFAOYSA-N 0 3 322.412 2.939 20 10 DFCDHN Cc1ccc(O)c(CN2CCCN(CC(F)(F)F)CC2)c1 ZINC000129489410 525341658 /nfs/dbraw/zinc/34/16/58/525341658.db2.gz ZDIZXMVCLVPVSO-UHFFFAOYSA-N 0 3 302.340 2.771 20 10 DFCDHN Cc1ncccc1O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000368977104 527368257 /nfs/dbraw/zinc/36/82/57/527368257.db2.gz BZDVASWIVVIKJW-OAHLLOKOSA-N 0 3 302.349 2.888 20 10 DFCDHN Cc1ncccc1O[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000368977104 527368246 /nfs/dbraw/zinc/36/82/46/527368246.db2.gz BZDVASWIVVIKJW-OAHLLOKOSA-N 0 3 302.349 2.888 20 10 DFCDHN Nc1ccc(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000237912617 527477553 /nfs/dbraw/zinc/47/75/53/527477553.db2.gz VKXZZFPOJRAUCI-LJQANCHMSA-N 0 3 323.440 2.592 20 10 DFCDHN CCCN1CC[C@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273414700 534957374 /nfs/dbraw/zinc/95/73/74/534957374.db2.gz QMDXCSXNXQPYFY-UONOGXRCSA-N 0 3 320.433 2.561 20 10 DFCDHN CCN(CC)c1ncc(CNCc2cccc(OC)c2O)s1 ZINC000289432509 535693608 /nfs/dbraw/zinc/69/36/08/535693608.db2.gz KYUKAWLESUPVRW-UHFFFAOYSA-N 0 3 321.446 2.993 20 10 DFCDHN Cc1cccc(C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)c1O ZINC000826298108 608581560 /nfs/dbraw/zinc/58/15/60/608581560.db2.gz DQIHLYGQUDFKKX-UHFFFAOYSA-N 0 3 309.373 2.513 20 10 DFCDHN Cc1cccc(C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)c1O ZINC000826298108 608581561 /nfs/dbraw/zinc/58/15/61/608581561.db2.gz DQIHLYGQUDFKKX-UHFFFAOYSA-N 0 3 309.373 2.513 20 10 DFCDHN Cc1ccc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000092704345 185334045 /nfs/dbraw/zinc/33/40/45/185334045.db2.gz AAWUZJZTZXXGAU-CQSZACIVSA-N 0 3 306.406 2.800 20 10 DFCDHN Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)no1 ZINC000092814209 185343567 /nfs/dbraw/zinc/34/35/67/185343567.db2.gz UHMVEACRPHGBOL-CQSZACIVSA-N 0 3 301.390 2.847 20 10 DFCDHN Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)no1 ZINC000092814209 185343568 /nfs/dbraw/zinc/34/35/68/185343568.db2.gz UHMVEACRPHGBOL-CQSZACIVSA-N 0 3 301.390 2.847 20 10 DFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCO)c1[O-] ZINC000187227197 301070308 /nfs/dbraw/zinc/07/03/08/301070308.db2.gz MBFGIFMBRAXOKH-VHSXEESVSA-N 0 3 302.212 2.885 20 10 DFCDHN COc1ccc([C@@H](CO)N(C)Cc2cc(C)ccc2O)cc1 ZINC000093415722 193246671 /nfs/dbraw/zinc/24/66/71/193246671.db2.gz MBXYWBOFJFCNSN-QGZVFWFLSA-N 0 3 301.386 2.875 20 10 DFCDHN COCCCOC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093561235 193268136 /nfs/dbraw/zinc/26/81/36/193268136.db2.gz VMSCXVCVYCVVBC-UHFFFAOYSA-N 0 3 306.450 2.770 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000272433933 130030355 /nfs/dbraw/zinc/03/03/55/130030355.db2.gz NQBDGWWQOMPHJE-ZDUSSCGKSA-N 0 3 307.340 2.611 20 10 DFCDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000272447499 130031081 /nfs/dbraw/zinc/03/10/81/130031081.db2.gz MBBUHOZSBYJMIV-QGZVFWFLSA-N 0 3 309.429 2.806 20 10 DFCDHN COc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])ccc1OCCO ZINC000272842084 130069063 /nfs/dbraw/zinc/06/90/63/130069063.db2.gz JWALDOXGVHYHIF-ZDUSSCGKSA-N 0 3 317.385 2.623 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@@H](C3(C)OCCO3)C2)cc1F ZINC000273128307 130091789 /nfs/dbraw/zinc/09/17/89/130091789.db2.gz AZIMUQKAKHCDPV-OAHLLOKOSA-N 0 3 322.424 2.867 20 10 DFCDHN C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000273344706 130109711 /nfs/dbraw/zinc/10/97/11/130109711.db2.gz AIZZPGMLYVGWHD-DJJJIMSYSA-N 0 3 319.445 2.709 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2COC3(CCOCC3)O2)c([O-])c1C ZINC000273452859 130123475 /nfs/dbraw/zinc/12/34/75/130123475.db2.gz GKQHTEDQUJZTAG-CABCVRRESA-N 0 3 321.417 2.582 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000273467860 130124997 /nfs/dbraw/zinc/12/49/97/130124997.db2.gz FBWMRQUOPKFTLR-ZNMIVQPWSA-N 0 3 304.434 2.998 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c([O-])c1 ZINC000273511557 130131210 /nfs/dbraw/zinc/13/12/10/130131210.db2.gz RSJJDAQLIGVZNJ-WBAXXEDZSA-N 0 3 318.461 2.729 20 10 DFCDHN CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273551106 130134707 /nfs/dbraw/zinc/13/47/07/130134707.db2.gz FWXPWWSNIFBRAE-CQSZACIVSA-N 0 3 304.434 2.918 20 10 DFCDHN CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273551104 130135501 /nfs/dbraw/zinc/13/55/01/130135501.db2.gz FWXPWWSNIFBRAE-AWEZNQCLSA-N 0 3 304.434 2.918 20 10 DFCDHN CCOc1cccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@]23CCCO3)c1[O-] ZINC000273561892 130137312 /nfs/dbraw/zinc/13/73/12/130137312.db2.gz FAUVUZXPPRAWNI-SOLBZPMBSA-N 0 3 321.417 2.607 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)c([O-])c1C ZINC000273586886 130139773 /nfs/dbraw/zinc/13/97/73/130139773.db2.gz NZOFFAMTEKOYJY-PMPSAXMXSA-N 0 3 306.450 2.769 20 10 DFCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000273623338 130147038 /nfs/dbraw/zinc/14/70/38/130147038.db2.gz ZUSRIOZULHUCQM-TZMCWYRMSA-N 0 3 300.406 2.575 20 10 DFCDHN CC[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccccc1[O-] ZINC000274730383 130257995 /nfs/dbraw/zinc/25/79/95/130257995.db2.gz BWZMIPBZFZQVRD-AWEZNQCLSA-N 0 3 303.431 2.978 20 10 DFCDHN COc1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1C ZINC000275359211 130307365 /nfs/dbraw/zinc/30/73/65/130307365.db2.gz AUDIFDOSJCBXQQ-FUHWJXTLSA-N 0 3 315.417 2.747 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](c3cncn3C)C2)cc1C ZINC000275537982 130333048 /nfs/dbraw/zinc/33/30/48/130333048.db2.gz MKKYGVKIJQPEDS-QAPCUYQASA-N 0 3 315.417 2.752 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)c1[O-] ZINC000282834343 130942126 /nfs/dbraw/zinc/94/21/26/130942126.db2.gz CAPWWYKGSSLAIV-CYBMUJFWSA-N 0 3 308.809 2.645 20 10 DFCDHN C[C@H](N[C@@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000284402551 131077372 /nfs/dbraw/zinc/07/73/72/131077372.db2.gz PTPVNARGGRMEMY-LXZKKBNFSA-N 0 3 308.466 2.561 20 10 DFCDHN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cc(C)ccc1O ZINC000284504631 131087756 /nfs/dbraw/zinc/08/77/56/131087756.db2.gz CSQSVQICQKGQKX-LZLYRXPVSA-N 0 3 305.418 2.717 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285784781 131202524 /nfs/dbraw/zinc/20/25/24/131202524.db2.gz UVKYOLSOWRQUPG-FABXCBLPSA-N 0 3 320.433 2.745 20 10 DFCDHN C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000287287562 131273952 /nfs/dbraw/zinc/27/39/52/131273952.db2.gz DCZREADMGDMMKY-CQSZACIVSA-N 0 3 319.445 2.853 20 10 DFCDHN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CN(C)C ZINC000288156848 131315099 /nfs/dbraw/zinc/31/50/99/131315099.db2.gz ZZPUCVMSUNTOKV-AWEZNQCLSA-N 0 3 307.438 2.654 20 10 DFCDHN COc1ccc(O)c(CN(CCN(C)C)Cc2ccco2)c1 ZINC000289547134 131394245 /nfs/dbraw/zinc/39/42/45/131394245.db2.gz XHOZIPDCNHCNOW-UHFFFAOYSA-N 0 3 304.390 2.558 20 10 DFCDHN CCc1ccc([C@@H](O)C[NH2+]Cc2cc(OC)ccc2[O-])cc1 ZINC000289625950 131401970 /nfs/dbraw/zinc/40/19/70/131401970.db2.gz WQADMHLQJBGKAX-SFHVURJKSA-N 0 3 301.386 2.786 20 10 DFCDHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290275158 131472048 /nfs/dbraw/zinc/47/20/48/131472048.db2.gz WPTUJFNZHBNBFX-MCIONIFRSA-N 0 3 310.413 2.736 20 10 DFCDHN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000295131211 131885351 /nfs/dbraw/zinc/88/53/51/131885351.db2.gz ONIQDVUQAILOAC-JTQLQIEISA-N 0 3 321.295 2.568 20 10 DFCDHN Cc1cc(CN[C@H]2CCc3cccc(O)c32)nc(N2CCCC2)n1 ZINC000297468914 132017106 /nfs/dbraw/zinc/01/71/06/132017106.db2.gz YMGYXBNOUZNLAU-INIZCTEOSA-N 0 3 324.428 2.868 20 10 DFCDHN Cc1cc(CN[C@@H]2CCc3cccc(O)c32)nc(N2CCCC2)n1 ZINC000297468916 132017458 /nfs/dbraw/zinc/01/74/58/132017458.db2.gz YMGYXBNOUZNLAU-MRXNPFEDSA-N 0 3 324.428 2.868 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227690120 286338918 /nfs/dbraw/zinc/33/89/18/286338918.db2.gz PTFMPRIWDCMYCJ-NWDGAFQWSA-N 0 3 324.421 2.965 20 10 DFCDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C)c(C)cc3O)[C@H]2C1 ZINC000165303974 426121923 /nfs/dbraw/zinc/12/19/23/426121923.db2.gz VFJHCVHWYAFEOB-RYRKJORJSA-N 0 3 305.418 2.777 20 10 DFCDHN [O-]c1ccc(Cl)cc1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000134095919 426185071 /nfs/dbraw/zinc/18/50/71/426185071.db2.gz NDOPOBYPXOLGMT-UHFFFAOYSA-N 0 3 324.852 2.590 20 10 DFCDHN CCN1CC[C@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000079461954 426193699 /nfs/dbraw/zinc/19/36/99/426193699.db2.gz RZXFZOGXZPJZDS-PXAZEXFGSA-N 0 3 322.424 2.896 20 10 DFCDHN CCN1CC[C@H]([N@@H+](C)Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000079461954 426193702 /nfs/dbraw/zinc/19/37/02/426193702.db2.gz RZXFZOGXZPJZDS-PXAZEXFGSA-N 0 3 322.424 2.896 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1[O-] ZINC000174443331 426257431 /nfs/dbraw/zinc/25/74/31/426257431.db2.gz HRBZYXJHNQOLHE-GOSISDBHSA-N 0 3 319.401 2.998 20 10 DFCDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000151352052 426291353 /nfs/dbraw/zinc/29/13/53/426291353.db2.gz LRYPOYMBRZDGCM-WMLDXEAASA-N 0 3 323.458 2.935 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000120244655 426308408 /nfs/dbraw/zinc/30/84/08/426308408.db2.gz MKHLPVHQYIDXDO-MRXNPFEDSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000120244655 426308411 /nfs/dbraw/zinc/30/84/11/426308411.db2.gz MKHLPVHQYIDXDO-MRXNPFEDSA-N 0 3 312.417 2.591 20 10 DFCDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cncc(F)c1 ZINC000151071663 426275773 /nfs/dbraw/zinc/27/57/73/426275773.db2.gz LJLUQINFSQFUCW-AWEZNQCLSA-N 0 3 315.392 2.908 20 10 DFCDHN CCCOc1ccc(C[NH+]2CCC(CC(=O)NC)CC2)c([O-])c1 ZINC000093588376 426355779 /nfs/dbraw/zinc/35/57/79/426355779.db2.gz YKCGURRVOGMUPP-UHFFFAOYSA-N 0 3 320.433 2.529 20 10 DFCDHN CCOC(=O)N[C@@H]1CCCN(Cc2cccc(OCC)c2O)C1 ZINC000153982600 426417384 /nfs/dbraw/zinc/41/73/84/426417384.db2.gz AFRKNYJYVZZDTH-CQSZACIVSA-N 0 3 322.405 2.501 20 10 DFCDHN C[C@@H](O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280151432 426507783 /nfs/dbraw/zinc/50/77/83/426507783.db2.gz FHGPOSMFRVFENO-VXGBXAGGSA-N 0 3 316.367 2.974 20 10 DFCDHN CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(C)cc1[O-] ZINC000280207884 426520374 /nfs/dbraw/zinc/52/03/74/426520374.db2.gz TXHQQGMDDLAJMS-GOSISDBHSA-N 0 3 319.493 2.769 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000186165671 426489852 /nfs/dbraw/zinc/48/98/52/426489852.db2.gz QJVXVWVBUXFJPV-DJJJIMSYSA-N 0 3 313.397 2.885 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cc(F)ccc1[O-] ZINC000186172355 426490808 /nfs/dbraw/zinc/49/08/08/426490808.db2.gz AYKZXIGDTVKESU-GXTWGEPZSA-N 0 3 301.365 2.856 20 10 DFCDHN CCOC(=O)N1CCCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000194841716 426494108 /nfs/dbraw/zinc/49/41/08/426494108.db2.gz XDCKQCHYYUHRTI-UHFFFAOYSA-N 0 3 306.406 2.673 20 10 DFCDHN C[C@H](NCCNC(=O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000178214523 426588977 /nfs/dbraw/zinc/58/89/77/426588977.db2.gz OFRGXFXRARDUJL-HNNXBMFYSA-N 0 3 315.461 2.854 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)CN2CCCC2=O)cc1 ZINC000178491725 426640240 /nfs/dbraw/zinc/64/02/40/426640240.db2.gz JWTVOGKTPNPCPQ-LSDHHAIUSA-N 0 3 303.450 2.804 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2COc3ccccc32)cc1OC ZINC000289998279 426679516 /nfs/dbraw/zinc/67/95/16/426679516.db2.gz CVHBOOMFNLABJB-CYBMUJFWSA-N 0 3 315.369 2.675 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+]CCCCCS(C)(=O)=O)c1[O-] ZINC000187693350 426683972 /nfs/dbraw/zinc/68/39/72/426683972.db2.gz KGIIVOKDIIOTBQ-UHFFFAOYSA-N 0 3 319.854 2.659 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000290162936 426706108 /nfs/dbraw/zinc/70/61/08/426706108.db2.gz MBOLJBZFHCRBDT-IBGZPJMESA-N 0 3 315.388 2.958 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000290162936 426706110 /nfs/dbraw/zinc/70/61/10/426706110.db2.gz MBOLJBZFHCRBDT-IBGZPJMESA-N 0 3 315.388 2.958 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000290162939 426706486 /nfs/dbraw/zinc/70/64/86/426706486.db2.gz MBOLJBZFHCRBDT-LJQANCHMSA-N 0 3 315.388 2.958 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000290162939 426706491 /nfs/dbraw/zinc/70/64/91/426706491.db2.gz MBOLJBZFHCRBDT-LJQANCHMSA-N 0 3 315.388 2.958 20 10 DFCDHN N[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000178817582 426701951 /nfs/dbraw/zinc/70/19/51/426701951.db2.gz AREUCYIDCYUQFR-IBGZPJMESA-N 0 3 323.440 2.993 20 10 DFCDHN CC[C@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000281813798 426770192 /nfs/dbraw/zinc/77/01/92/426770192.db2.gz ZCKNEBMHJVATSQ-YOEHRIQHSA-N 0 3 303.450 2.804 20 10 DFCDHN COCC(C)(C)CCC[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000290313649 426738767 /nfs/dbraw/zinc/73/87/67/426738767.db2.gz CHVVERGFJVPJMD-UHFFFAOYSA-N 0 3 311.422 2.952 20 10 DFCDHN CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c([O-])c1 ZINC000290427432 426761614 /nfs/dbraw/zinc/76/16/14/426761614.db2.gz LESZTPBBHCRWLI-RHSMWYFYSA-N 0 3 306.450 2.953 20 10 DFCDHN CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c([O-])c1 ZINC000290427432 426761618 /nfs/dbraw/zinc/76/16/18/426761618.db2.gz LESZTPBBHCRWLI-RHSMWYFYSA-N 0 3 306.450 2.953 20 10 DFCDHN Cc1occc1C(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179569011 426803639 /nfs/dbraw/zinc/80/36/39/426803639.db2.gz IKTOZOYCDHAWIQ-UHFFFAOYSA-N 0 3 314.385 2.688 20 10 DFCDHN COc1ccc(O)c(CN(C)C[C@H]2COc3ccccc3O2)c1 ZINC000179572118 426803728 /nfs/dbraw/zinc/80/37/28/426803728.db2.gz USFJKYXLGYUAJG-HNNXBMFYSA-N 0 3 315.369 2.673 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1OC ZINC000179780266 426817494 /nfs/dbraw/zinc/81/74/94/426817494.db2.gz SYYAIIJRNHWTBN-GFCCVEGCSA-N 0 3 317.389 2.512 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1OC ZINC000179780266 426817509 /nfs/dbraw/zinc/81/75/09/426817509.db2.gz SYYAIIJRNHWTBN-GFCCVEGCSA-N 0 3 317.389 2.512 20 10 DFCDHN CCCCN(CC(=O)NCC(F)(F)F)Cc1ccccc1O ZINC000282476319 426914511 /nfs/dbraw/zinc/91/45/11/426914511.db2.gz OJSBRXBNNFTMEX-UHFFFAOYSA-N 0 3 318.339 2.673 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000282475325 426914565 /nfs/dbraw/zinc/91/45/65/426914565.db2.gz WQDRVMPDZXMYAO-GOSISDBHSA-N 0 3 301.361 2.845 20 10 DFCDHN CCN(CC)c1ccc(CNCC2([S@@](C)=O)CC2)cc1F ZINC000282482109 426916071 /nfs/dbraw/zinc/91/60/71/426916071.db2.gz VLZVTPIWWBREAE-OAQYLSRUSA-N 0 3 312.454 2.673 20 10 DFCDHN CCCN(CCC)c1ccc(CN[C@@H](C)C(=O)NCCF)cc1 ZINC000282758438 426926637 /nfs/dbraw/zinc/92/66/37/426926637.db2.gz TWLRKHJXMZAVMT-HNNXBMFYSA-N 0 3 323.456 2.877 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000246809769 426866908 /nfs/dbraw/zinc/86/69/08/426866908.db2.gz RAKZWRMIHATPCG-UKRRQHHQSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000246809769 426866914 /nfs/dbraw/zinc/86/69/14/426866914.db2.gz RAKZWRMIHATPCG-UKRRQHHQSA-N 0 3 301.390 2.680 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291247116 426880701 /nfs/dbraw/zinc/88/07/01/426880701.db2.gz LPEMUOVCVFUSPV-HNNXBMFYSA-N 0 3 312.404 2.982 20 10 DFCDHN COc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1[O-] ZINC000282347479 426888622 /nfs/dbraw/zinc/88/86/22/426888622.db2.gz VLKCPLZILAXWQH-UHFFFAOYSA-N 0 3 319.430 2.616 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1[O-] ZINC000291530340 426907034 /nfs/dbraw/zinc/90/70/34/426907034.db2.gz KDZZMPLZRFYLSO-CZUORRHYSA-N 0 3 324.852 2.649 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1[O-] ZINC000291530340 426907042 /nfs/dbraw/zinc/90/70/42/426907042.db2.gz KDZZMPLZRFYLSO-CZUORRHYSA-N 0 3 324.852 2.649 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@H]2CCCC23CCOCC3)cc1OC ZINC000282430201 426910266 /nfs/dbraw/zinc/91/02/66/426910266.db2.gz FHLZEEMMIHIMRS-KRWDZBQOSA-N 0 3 321.417 2.848 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c([O-])c1 ZINC000319803967 426963590 /nfs/dbraw/zinc/96/35/90/426963590.db2.gz HUSZMLBAVPSPCA-CJNGLKHVSA-N 0 3 315.417 2.618 20 10 DFCDHN Cc1cc(N2CCC([NH2+]Cc3cc(C)c(C)cc3[O-])CC2)n[nH]1 ZINC000276035134 426970214 /nfs/dbraw/zinc/97/02/14/426970214.db2.gz ORRVXRCHSNXXRD-UHFFFAOYSA-N 0 3 314.433 2.799 20 10 DFCDHN CCOC1(C)CC[NH+](Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000292078046 427080053 /nfs/dbraw/zinc/08/00/53/427080053.db2.gz MBYXYFGULWEEEF-UHFFFAOYSA-N 0 3 309.406 2.800 20 10 DFCDHN CCOC1(C)CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000292078046 427080061 /nfs/dbraw/zinc/08/00/61/427080061.db2.gz MBYXYFGULWEEEF-UHFFFAOYSA-N 0 3 309.406 2.800 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C12CCOCC2 ZINC000296459085 427186493 /nfs/dbraw/zinc/18/64/93/427186493.db2.gz NSOLWTRELUZFJD-BHYGNILZSA-N 0 3 317.429 2.943 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1[O-] ZINC000292803909 427201727 /nfs/dbraw/zinc/20/17/27/427201727.db2.gz NWUBQNVBBKVHNB-MRXNPFEDSA-N 0 3 310.825 2.582 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1[O-] ZINC000292803909 427201732 /nfs/dbraw/zinc/20/17/32/427201732.db2.gz NWUBQNVBBKVHNB-MRXNPFEDSA-N 0 3 310.825 2.582 20 10 DFCDHN CC(C)(C[C@H]1CCC[N@@H+]([C@@H]2CCc3cccc([O-])c32)C1)C(N)=O ZINC000296558672 427225311 /nfs/dbraw/zinc/22/53/11/427225311.db2.gz SCACMESTGRIGPE-UKRRQHHQSA-N 0 3 316.445 2.993 20 10 DFCDHN CC(C)(C[C@H]1CCC[N@H+]([C@@H]2CCc3cccc([O-])c32)C1)C(N)=O ZINC000296558672 427225315 /nfs/dbraw/zinc/22/53/15/427225315.db2.gz SCACMESTGRIGPE-UKRRQHHQSA-N 0 3 316.445 2.993 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000183348937 427250886 /nfs/dbraw/zinc/25/08/86/427250886.db2.gz YRSALZLVDIKMKP-NWDGAFQWSA-N 0 3 316.323 2.596 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1[O-] ZINC000183406850 427262731 /nfs/dbraw/zinc/26/27/31/427262731.db2.gz GJOHDDASJCBCDI-ZDUSSCGKSA-N 0 3 320.824 2.858 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1[O-] ZINC000183406850 427262739 /nfs/dbraw/zinc/26/27/39/427262739.db2.gz GJOHDDASJCBCDI-ZDUSSCGKSA-N 0 3 320.824 2.858 20 10 DFCDHN C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000183463903 427272924 /nfs/dbraw/zinc/27/29/24/427272924.db2.gz KMYOJRDYFPQJBX-OAGGEKHMSA-N 0 3 306.450 2.932 20 10 DFCDHN C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000183463886 427273374 /nfs/dbraw/zinc/27/33/74/427273374.db2.gz KMYOJRDYFPQJBX-JYJNAYRXSA-N 0 3 306.450 2.932 20 10 DFCDHN COc1cc(O)c(CN(C)[C@@H](C)c2cccnc2)cc1OC ZINC000183719450 427328463 /nfs/dbraw/zinc/32/84/63/427328463.db2.gz DOXOITZGTIKQEQ-LBPRGKRZSA-N 0 3 302.374 2.997 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c([O-])c1 ZINC000293596129 427377341 /nfs/dbraw/zinc/37/73/41/427377341.db2.gz FSZFZNASDWVRGI-OAHLLOKOSA-N 0 3 306.450 2.770 20 10 DFCDHN CC(C)c1ccc([C@@H](N)CNC(=O)Cc2ccc(N)cc2)cc1 ZINC000262501649 427358021 /nfs/dbraw/zinc/35/80/21/427358021.db2.gz HJCINFLIZOSBLG-SFHVURJKSA-N 0 3 311.429 2.751 20 10 DFCDHN C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000278791104 427451736 /nfs/dbraw/zinc/45/17/36/427451736.db2.gz YRUJTAZFIJBNES-KGLIPLIRSA-N 0 3 310.413 2.683 20 10 DFCDHN CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297698153 427432437 /nfs/dbraw/zinc/43/24/37/427432437.db2.gz MFOQLLVCYXYSIE-RBSFLKMASA-N 0 3 302.418 2.616 20 10 DFCDHN CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297698141 427432451 /nfs/dbraw/zinc/43/24/51/427432451.db2.gz MFOQLLVCYXYSIE-KFWWJZLASA-N 0 3 302.418 2.616 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278428487 427439804 /nfs/dbraw/zinc/43/98/04/427439804.db2.gz JDSRYDCGMOTREG-GJZGRUSLSA-N 0 3 314.433 2.754 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccccc1[O-] ZINC000278545984 427442744 /nfs/dbraw/zinc/44/27/44/427442744.db2.gz VHRGRYPBXYWSRK-ZBFHGGJFSA-N 0 3 314.433 2.835 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000271199117 427445816 /nfs/dbraw/zinc/44/58/16/427445816.db2.gz OVGRJSKKCLZJOU-MAUKXSAKSA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000271199117 427445819 /nfs/dbraw/zinc/44/58/19/427445819.db2.gz OVGRJSKKCLZJOU-MAUKXSAKSA-N 0 3 305.418 2.918 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278943322 427506931 /nfs/dbraw/zinc/50/69/31/427506931.db2.gz YQJVGLYPSRDOJI-CYBMUJFWSA-N 0 3 305.418 2.994 20 10 DFCDHN CC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184700346 427521832 /nfs/dbraw/zinc/52/18/32/427521832.db2.gz HFHQYEVXDRNEGP-GFCCVEGCSA-N 0 3 312.841 2.828 20 10 DFCDHN CC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184700346 427521834 /nfs/dbraw/zinc/52/18/34/427521834.db2.gz HFHQYEVXDRNEGP-GFCCVEGCSA-N 0 3 312.841 2.828 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1ccccc1[O-] ZINC000278990178 427524303 /nfs/dbraw/zinc/52/43/03/427524303.db2.gz PXIHZTOFDTZNQY-DHSIGJKJSA-N 0 3 315.417 2.944 20 10 DFCDHN CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000279069966 427546544 /nfs/dbraw/zinc/54/65/44/427546544.db2.gz LQGFJNGBACHJBE-ZDUSSCGKSA-N 0 3 312.417 2.957 20 10 DFCDHN C[C@@H]([NH2+]CCCN(C)C)c1cc(Br)ccc1[O-] ZINC000184841908 427549103 /nfs/dbraw/zinc/54/91/03/427549103.db2.gz JSBYMRYGNQBPCK-SNVBAGLBSA-N 0 3 301.228 2.757 20 10 DFCDHN Cc1cccc(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000271900556 427591789 /nfs/dbraw/zinc/59/17/89/427591789.db2.gz VNFNRGKNEPWACN-QGZVFWFLSA-N 0 3 310.397 2.591 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c1 ZINC000185444114 427653730 /nfs/dbraw/zinc/65/37/30/427653730.db2.gz MVNBZFSSKAPYMS-CYBMUJFWSA-N 0 3 320.433 2.700 20 10 DFCDHN COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185467604 427658041 /nfs/dbraw/zinc/65/80/41/427658041.db2.gz LAHFZPSUBDJFBI-FZKQIMNGSA-N 0 3 307.434 2.709 20 10 DFCDHN C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000185491745 427660759 /nfs/dbraw/zinc/66/07/59/427660759.db2.gz PBYRBWQTALYXAJ-KBPBESRZSA-N 0 3 322.424 2.683 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C2(C(=O)N(C)C)CCCCC2)c1 ZINC000295126448 427702079 /nfs/dbraw/zinc/70/20/79/427702079.db2.gz XZCZZMKTGPGEKL-UHFFFAOYSA-N 0 3 320.433 2.672 20 10 DFCDHN CCOc1ccc(O)c(CNC2(C(=O)N(C)C)CCCCC2)c1 ZINC000295126448 427702085 /nfs/dbraw/zinc/70/20/85/427702085.db2.gz XZCZZMKTGPGEKL-UHFFFAOYSA-N 0 3 320.433 2.672 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC000279793238 427716774 /nfs/dbraw/zinc/71/67/74/427716774.db2.gz MNPYWBYVTWWJBC-HNNXBMFYSA-N 0 3 320.433 2.529 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050732 427743747 /nfs/dbraw/zinc/74/37/47/427743747.db2.gz SRWQBQXFUVCIQT-CABCVRRESA-N 0 3 312.417 2.810 20 10 DFCDHN CC[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N(CC)CC ZINC000359848628 428044302 /nfs/dbraw/zinc/04/43/02/428044302.db2.gz CHUPMHKAJAEFCI-HNNXBMFYSA-N 0 3 319.449 2.598 20 10 DFCDHN Cc1c2ccccc2n(C)c1CNC(=O)C12CCCN1CCC2 ZINC000356177226 428056116 /nfs/dbraw/zinc/05/61/16/428056116.db2.gz PSSOLHIHZRRLCQ-UHFFFAOYSA-N 0 3 311.429 2.731 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2c2cccnn2)c([O-])c1 ZINC000359957269 428093716 /nfs/dbraw/zinc/09/37/16/428093716.db2.gz HCNZESRIFGEKQH-LSDHHAIUSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1 ZINC000370044052 428119481 /nfs/dbraw/zinc/11/94/81/428119481.db2.gz YNXDEFGKLNCSML-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+](C)C2CCN(c3cnccn3)CC2)c1 ZINC000370044052 428119486 /nfs/dbraw/zinc/11/94/86/428119486.db2.gz YNXDEFGKLNCSML-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000372082275 428414305 /nfs/dbraw/zinc/41/43/05/428414305.db2.gz ZFXWAEWYSARCGG-DLBZAZTESA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000372082275 428414312 /nfs/dbraw/zinc/41/43/12/428414312.db2.gz ZFXWAEWYSARCGG-DLBZAZTESA-N 0 3 302.418 2.676 20 10 DFCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC3(CC3)CC2)cc1 ZINC000371340862 428382213 /nfs/dbraw/zinc/38/22/13/428382213.db2.gz JBCAFMZVEMISBA-UHFFFAOYSA-N 0 3 315.461 2.587 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000371310766 428382947 /nfs/dbraw/zinc/38/29/47/428382947.db2.gz OORFWDFJLZTDJU-UHFFFAOYSA-N 0 3 315.392 2.947 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000371310766 428382952 /nfs/dbraw/zinc/38/29/52/428382952.db2.gz OORFWDFJLZTDJU-UHFFFAOYSA-N 0 3 315.392 2.947 20 10 DFCDHN Oc1cc2c(cc1CN1CCC[C@H](OCC3CC3)C1)OCO2 ZINC000372491898 428455512 /nfs/dbraw/zinc/45/55/12/428455512.db2.gz PXECQUYGLLPDEL-AWEZNQCLSA-N 0 3 305.374 2.512 20 10 DFCDHN COc1ccc(O)c(CN2CC[C@H](Oc3cccnc3C)C2)c1 ZINC000372814829 428503477 /nfs/dbraw/zinc/50/34/77/428503477.db2.gz LHNVQYDQRUFHJT-INIZCTEOSA-N 0 3 314.385 2.758 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](Oc3cccnc3C)C2)c1 ZINC000372814829 428503484 /nfs/dbraw/zinc/50/34/84/428503484.db2.gz LHNVQYDQRUFHJT-INIZCTEOSA-N 0 3 314.385 2.758 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](Oc3cccnc3C)C2)c1 ZINC000372814829 428503486 /nfs/dbraw/zinc/50/34/86/428503486.db2.gz LHNVQYDQRUFHJT-INIZCTEOSA-N 0 3 314.385 2.758 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000373217010 428522786 /nfs/dbraw/zinc/52/27/86/428522786.db2.gz PJYYAAQQKANYMJ-DOMZBBRYSA-N 0 3 322.836 2.845 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000373217010 428522791 /nfs/dbraw/zinc/52/27/91/428522791.db2.gz PJYYAAQQKANYMJ-DOMZBBRYSA-N 0 3 322.836 2.845 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000373217012 428524309 /nfs/dbraw/zinc/52/43/09/428524309.db2.gz PJYYAAQQKANYMJ-IUODEOHRSA-N 0 3 322.836 2.845 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000373217012 428524314 /nfs/dbraw/zinc/52/43/14/428524314.db2.gz PJYYAAQQKANYMJ-IUODEOHRSA-N 0 3 322.836 2.845 20 10 DFCDHN CC[C@H]1CN(Cc2cccc(OC)c2O)C[C@]2(CCCOC2)O1 ZINC000373464312 428583593 /nfs/dbraw/zinc/58/35/93/428583593.db2.gz DSUWAQJSDDNREQ-YJBOKZPZSA-N 0 3 321.417 2.561 20 10 DFCDHN Cc1cccc(C[N@@H+](C)C2CCN(c3ncccn3)CC2)c1[O-] ZINC000361051742 428532460 /nfs/dbraw/zinc/53/24/60/428532460.db2.gz ZLOFAOBTAGUNSJ-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1cccc(C[N@H+](C)C2CCN(c3ncccn3)CC2)c1[O-] ZINC000361051742 428532463 /nfs/dbraw/zinc/53/24/63/428532463.db2.gz ZLOFAOBTAGUNSJ-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN COc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 ZINC000373974907 428658086 /nfs/dbraw/zinc/65/80/86/428658086.db2.gz FZBJRWCAQCHWHK-GLJUWKHASA-N 0 3 321.417 2.559 20 10 DFCDHN CCOc1cccc(CN2CCC[C@@H](c3noc(C)n3)C2)c1O ZINC000362385761 428726798 /nfs/dbraw/zinc/72/67/98/428726798.db2.gz HFHSDSGDDSDDFE-CQSZACIVSA-N 0 3 317.389 2.862 20 10 DFCDHN CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC)C2)c1[O-] ZINC000374682893 428730616 /nfs/dbraw/zinc/73/06/16/428730616.db2.gz NBFDKXBNMIHNHV-KBXCAEBGSA-N 0 3 319.401 2.566 20 10 DFCDHN CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC)C2)c1[O-] ZINC000374682893 428730620 /nfs/dbraw/zinc/73/06/20/428730620.db2.gz NBFDKXBNMIHNHV-KBXCAEBGSA-N 0 3 319.401 2.566 20 10 DFCDHN CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(C(=O)OC)C2)c1[O-] ZINC000374682896 428731358 /nfs/dbraw/zinc/73/13/58/428731358.db2.gz NBFDKXBNMIHNHV-RDTXWAMCSA-N 0 3 319.401 2.566 20 10 DFCDHN CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3(C(=O)OC)C2)c1[O-] ZINC000374682896 428731365 /nfs/dbraw/zinc/73/13/65/428731365.db2.gz NBFDKXBNMIHNHV-RDTXWAMCSA-N 0 3 319.401 2.566 20 10 DFCDHN C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 ZINC000290322784 274530733 /nfs/dbraw/zinc/53/07/33/274530733.db2.gz OKEUAYJXLIAWIQ-SOVGHPHASA-N 0 3 312.413 2.898 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000363264870 428895039 /nfs/dbraw/zinc/89/50/39/428895039.db2.gz SXMGRQFLODMAAK-INIZCTEOSA-N 0 3 324.852 2.779 20 10 DFCDHN Cc1cccc(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1O ZINC000364327133 429184326 /nfs/dbraw/zinc/18/43/26/429184326.db2.gz IOCDYSWHQJTREV-CQSZACIVSA-N 0 3 316.361 2.642 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000364327133 429184331 /nfs/dbraw/zinc/18/43/31/429184331.db2.gz IOCDYSWHQJTREV-CQSZACIVSA-N 0 3 316.361 2.642 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000364327133 429184334 /nfs/dbraw/zinc/18/43/34/429184334.db2.gz IOCDYSWHQJTREV-CQSZACIVSA-N 0 3 316.361 2.642 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365256886 429289141 /nfs/dbraw/zinc/28/91/41/429289141.db2.gz PNIVACQOEKCDJF-KUHUBIRLSA-N 0 3 313.397 2.786 20 10 DFCDHN COc1ccc(O)c(CN[C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365256886 429289143 /nfs/dbraw/zinc/28/91/43/429289143.db2.gz PNIVACQOEKCDJF-KUHUBIRLSA-N 0 3 313.397 2.786 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H](n3cccn3)C2)c1O ZINC000365846358 429385458 /nfs/dbraw/zinc/38/54/58/429385458.db2.gz IFIIJGBUXZZBOC-ZDUSSCGKSA-N 0 3 307.781 2.698 20 10 DFCDHN COc1cccc(CNc2ccncc2-c2cccnc2)c1O ZINC000367428955 429646328 /nfs/dbraw/zinc/64/63/28/429646328.db2.gz CYYFIAKKUBMDMF-UHFFFAOYSA-N 0 3 307.353 2.892 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1[C@H](CC)c1ccccc1[O-] ZINC000367297967 429614157 /nfs/dbraw/zinc/61/41/57/429614157.db2.gz AUKLULRWVWGVGN-SQWLQELKSA-N 0 3 321.417 2.886 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1[C@H](CC)c1ccccc1[O-] ZINC000367297967 429614160 /nfs/dbraw/zinc/61/41/60/429614160.db2.gz AUKLULRWVWGVGN-SQWLQELKSA-N 0 3 321.417 2.886 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c([O-])c1 ZINC000368090143 429785915 /nfs/dbraw/zinc/78/59/15/429785915.db2.gz PPERHQBDLHPTOY-ZDUSSCGKSA-N 0 3 301.390 2.551 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c([O-])c1 ZINC000368090143 429785917 /nfs/dbraw/zinc/78/59/17/429785917.db2.gz PPERHQBDLHPTOY-ZDUSSCGKSA-N 0 3 301.390 2.551 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c([O-])c1C ZINC000368334944 429831948 /nfs/dbraw/zinc/83/19/48/429831948.db2.gz XFOFCPVXMICYLZ-UJDVCPFMSA-N 0 3 302.418 2.669 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1N1CCOCC1)c1ccccc1[O-] ZINC000368408312 429845130 /nfs/dbraw/zinc/84/51/30/429845130.db2.gz WPGMKYFVPSZWHP-NJAFHUGGSA-N 0 3 318.461 2.934 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1C ZINC000369278556 429922174 /nfs/dbraw/zinc/92/21/74/429922174.db2.gz RXOAZEXBVGWVBL-KRWDZBQOSA-N 0 3 316.445 2.986 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1C ZINC000369278556 429922175 /nfs/dbraw/zinc/92/21/75/429922175.db2.gz RXOAZEXBVGWVBL-KRWDZBQOSA-N 0 3 316.445 2.986 20 10 DFCDHN Cc1cc(O)c(CN2CCC[C@H](N3CCCCC3=O)C2)cc1C ZINC000369278556 429922176 /nfs/dbraw/zinc/92/21/76/429922176.db2.gz RXOAZEXBVGWVBL-KRWDZBQOSA-N 0 3 316.445 2.986 20 10 DFCDHN CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297698134 276757495 /nfs/dbraw/zinc/75/74/95/276757495.db2.gz MFOQLLVCYXYSIE-ILXRZTDVSA-N 0 3 302.418 2.616 20 10 DFCDHN Cc1cc(C)c2c(c1)N(C(=O)c1cccc3c1CCNC3)CCO2 ZINC000662829460 431207386 /nfs/dbraw/zinc/20/73/86/431207386.db2.gz DXGXCZIJUAGYPF-UHFFFAOYSA-N 0 3 322.408 2.988 20 10 DFCDHN O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000364449045 280304919 /nfs/dbraw/zinc/30/49/19/280304919.db2.gz QKNWPTVZRGHTMO-SFHVURJKSA-N 0 3 312.344 2.627 20 10 DFCDHN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000364449045 280304920 /nfs/dbraw/zinc/30/49/20/280304920.db2.gz QKNWPTVZRGHTMO-SFHVURJKSA-N 0 3 312.344 2.627 20 10 DFCDHN Cc1cccc(CN[C@@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293589197 335109801 /nfs/dbraw/zinc/10/98/01/335109801.db2.gz IJOSVCXEPXDEMK-KRWDZBQOSA-N 0 3 300.402 2.945 20 10 DFCDHN CC(C)(CO)[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccnc1 ZINC000293666046 335114818 /nfs/dbraw/zinc/11/48/18/335114818.db2.gz OKIYTGDNHAWTQE-MRXNPFEDSA-N 0 3 304.365 2.776 20 10 DFCDHN CCOc1ccc(O)c(CN2CCCNC(=O)[C@@H]2CC(C)C)c1 ZINC000293821906 335117993 /nfs/dbraw/zinc/11/79/93/335117993.db2.gz FVDLFEJHFIBPNY-INIZCTEOSA-N 0 3 320.433 2.528 20 10 DFCDHN COc1ccc(OCCN(C)Cc2cc(OC)ccc2O)cc1 ZINC000179596448 333153098 /nfs/dbraw/zinc/15/30/98/333153098.db2.gz BQTQFMQNRBVBOM-UHFFFAOYSA-N 0 3 317.385 2.920 20 10 DFCDHN COc1ccc(OCC[N@H+](C)Cc2cc(OC)ccc2[O-])cc1 ZINC000179596448 333153100 /nfs/dbraw/zinc/15/31/00/333153100.db2.gz BQTQFMQNRBVBOM-UHFFFAOYSA-N 0 3 317.385 2.920 20 10 DFCDHN COc1ccc(OCC[N@@H+](C)Cc2cc(OC)ccc2[O-])cc1 ZINC000179596448 333153101 /nfs/dbraw/zinc/15/31/01/333153101.db2.gz BQTQFMQNRBVBOM-UHFFFAOYSA-N 0 3 317.385 2.920 20 10 DFCDHN COc1cccc(C[NH2+]C[C@H](Cc2ccccc2)OC)c1[O-] ZINC000294934262 335128783 /nfs/dbraw/zinc/12/87/83/335128783.db2.gz ZRITXCNZBHWDMZ-INIZCTEOSA-N 0 3 301.386 2.748 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)c([O-])c1 ZINC000295003415 335129761 /nfs/dbraw/zinc/12/97/61/335129761.db2.gz IRDSSHLXOXFHQH-GXTWGEPZSA-N 0 3 303.349 2.675 20 10 DFCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCC(O)CC3)CC1)OCO2 ZINC000295048849 335130201 /nfs/dbraw/zinc/13/02/01/335130201.db2.gz FPZZKZFFHCZKMJ-UHFFFAOYSA-N 0 3 319.401 2.638 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]CC[C@@H](C)CCO)c1[O-] ZINC000295209191 335130853 /nfs/dbraw/zinc/13/08/53/335130853.db2.gz ZULSCALYTLYUQV-SNVBAGLBSA-N 0 3 316.239 2.961 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1C ZINC000295120808 335132374 /nfs/dbraw/zinc/13/23/74/335132374.db2.gz NGOMZOGYSWCNEJ-KRWDZBQOSA-N 0 3 303.377 2.841 20 10 DFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000296103121 335141677 /nfs/dbraw/zinc/14/16/77/335141677.db2.gz YWURKRCFADNUJS-INTQDDNPSA-N 0 3 300.196 2.637 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)CC2 ZINC000296177039 335141989 /nfs/dbraw/zinc/14/19/89/335141989.db2.gz XXFSHTXFODMZMX-GOEBONIOSA-N 0 3 317.360 2.548 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[N@@H+](C(C)C)CC2)c1[O-] ZINC000273738044 334050402 /nfs/dbraw/zinc/05/04/02/334050402.db2.gz LKJPYQPGDVYNNT-UHFFFAOYSA-N 0 3 312.841 2.970 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[N@H+](C(C)C)CC2)c1[O-] ZINC000273738044 334050403 /nfs/dbraw/zinc/05/04/03/334050403.db2.gz LKJPYQPGDVYNNT-UHFFFAOYSA-N 0 3 312.841 2.970 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c([O-])c1 ZINC000277038969 334086172 /nfs/dbraw/zinc/08/61/72/334086172.db2.gz NLLDVDFJYGYLIB-UHFFFAOYSA-N 0 3 314.385 2.840 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c([O-])c1 ZINC000277038969 334086173 /nfs/dbraw/zinc/08/61/73/334086173.db2.gz NLLDVDFJYGYLIB-UHFFFAOYSA-N 0 3 314.385 2.840 20 10 DFCDHN CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000290217991 334171605 /nfs/dbraw/zinc/17/16/05/334171605.db2.gz QOFIBSWZUQFGAO-SKDZVZGDSA-N 0 3 322.424 2.880 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2CCn3ccnc3C2)c1[O-] ZINC000366741227 334464217 /nfs/dbraw/zinc/46/42/17/334464217.db2.gz AZGCSMSTENVWKG-GFCCVEGCSA-N 0 3 305.809 2.903 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCn3ccnc3C2)c1[O-] ZINC000366746909 334475421 /nfs/dbraw/zinc/47/54/21/334475421.db2.gz SJDGSBCCJUXBFC-NSHDSACASA-N 0 3 321.808 2.603 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c([O-])c1 ZINC000192839372 336265551 /nfs/dbraw/zinc/26/55/51/336265551.db2.gz ZVTCDMXDALZMIS-AWEZNQCLSA-N 0 3 304.434 2.998 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000192914447 336284220 /nfs/dbraw/zinc/28/42/20/336284220.db2.gz MZRADFYJQUFRJE-IUODEOHRSA-N 0 3 304.390 2.947 20 10 DFCDHN CCc1nnc2n1C[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])CC2 ZINC000373848189 336974409 /nfs/dbraw/zinc/97/44/09/336974409.db2.gz BELKQKDXMVUIKI-ZFWWWQNUSA-N 0 3 314.433 2.910 20 10 DFCDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000374156543 336982653 /nfs/dbraw/zinc/98/26/53/336982653.db2.gz HGBGRBLTMQMZOT-OKZBNKHCSA-N 0 3 322.408 2.639 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)c([O-])c1C ZINC000375242461 337006446 /nfs/dbraw/zinc/00/64/46/337006446.db2.gz OJOFTUMWFRVWDM-BBWFWOEESA-N 0 3 318.461 2.913 20 10 DFCDHN Cc1cc(C)n2c(CNCc3ccc4c(c3)CCN4C)cnc2n1 ZINC000375322396 337008079 /nfs/dbraw/zinc/00/80/79/337008079.db2.gz YIAJEZUVBAYTOS-UHFFFAOYSA-N 0 3 321.428 2.628 20 10 DFCDHN CC1(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)COC1 ZINC000375769521 337019259 /nfs/dbraw/zinc/01/92/59/337019259.db2.gz QQYARMSCWHNOPG-HNNXBMFYSA-N 0 3 324.852 2.636 20 10 DFCDHN COc1cccc(CN2CCC[C@H]2c2cn(C)nc2C)c1O ZINC000375842991 337021140 /nfs/dbraw/zinc/02/11/40/337021140.db2.gz AEZLJMDLWVGQCS-HNNXBMFYSA-N 0 3 301.390 2.780 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@@H]2CCn3ccnc3C2)c([O-])c1 ZINC000376109989 337027267 /nfs/dbraw/zinc/02/72/67/337027267.db2.gz FTTYGCQCJWNUBZ-CQSZACIVSA-N 0 3 315.417 2.730 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCCN(c2ccncn2)C1)c1ccccc1[O-] ZINC000376323015 337031381 /nfs/dbraw/zinc/03/13/81/337031381.db2.gz SKBZWRAIARIONQ-ZBFHGGJFSA-N 0 3 312.417 2.892 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1 ZINC000377539241 337054571 /nfs/dbraw/zinc/05/45/71/337054571.db2.gz CMCYMOMCISBGKN-PZMTTYODSA-N 0 3 321.417 2.730 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1 ZINC000377539242 337054599 /nfs/dbraw/zinc/05/45/99/337054599.db2.gz CMCYMOMCISBGKN-WIRVQXDCSA-N 0 3 321.417 2.730 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)C[C@H]2CCc3nccn3C2)c1 ZINC000377687670 337058336 /nfs/dbraw/zinc/05/83/36/337058336.db2.gz ALVGWGXUTZDZCW-UONOGXRCSA-N 0 3 315.417 2.853 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)C[C@H]2CCc3nccn3C2)c1 ZINC000377687670 337058337 /nfs/dbraw/zinc/05/83/37/337058337.db2.gz ALVGWGXUTZDZCW-UONOGXRCSA-N 0 3 315.417 2.853 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000378520980 337075061 /nfs/dbraw/zinc/07/50/61/337075061.db2.gz OKBYAIAVQYLPRH-GOSISDBHSA-N 0 3 301.361 2.933 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000378520980 337075062 /nfs/dbraw/zinc/07/50/62/337075062.db2.gz OKBYAIAVQYLPRH-GOSISDBHSA-N 0 3 301.361 2.933 20 10 DFCDHN COc1cc(Cl)cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1[O-] ZINC000228666646 337078089 /nfs/dbraw/zinc/07/80/89/337078089.db2.gz QBRZRMAJNVXBTN-FZMZJTMJSA-N 0 3 310.825 2.723 20 10 DFCDHN COc1cc(Cl)cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1[O-] ZINC000228666646 337078090 /nfs/dbraw/zinc/07/80/90/337078090.db2.gz QBRZRMAJNVXBTN-FZMZJTMJSA-N 0 3 310.825 2.723 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000179859466 337172210 /nfs/dbraw/zinc/17/22/10/337172210.db2.gz MDGYXWIPFAVWBB-SOLBZPMBSA-N 0 3 318.461 2.774 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000179859466 337172211 /nfs/dbraw/zinc/17/22/11/337172211.db2.gz MDGYXWIPFAVWBB-SOLBZPMBSA-N 0 3 318.461 2.774 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)ccc1[O-] ZINC000185553377 337249017 /nfs/dbraw/zinc/24/90/17/337249017.db2.gz TYFOKIBKFPOAKW-TZMCWYRMSA-N 0 3 318.396 2.584 20 10 DFCDHN CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CC2 ZINC000185997574 337252478 /nfs/dbraw/zinc/25/24/78/337252478.db2.gz JWSNGWWPPJDTFU-YPMHNXCESA-N 0 3 318.396 2.912 20 10 DFCDHN Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2ncc[nH]2)C1 ZINC000113359322 337391030 /nfs/dbraw/zinc/39/10/30/337391030.db2.gz OFSBMYMWRLTIFK-AWEZNQCLSA-N 0 3 320.824 2.523 20 10 DFCDHN COc1ccc(CN2CC[C@H]2C[NH2+]Cc2ccccc2[O-])cc1 ZINC000527772549 518151513 /nfs/dbraw/zinc/15/15/13/518151513.db2.gz LARWTEIYBBVDPB-KRWDZBQOSA-N 0 3 312.413 2.765 20 10 DFCDHN CCCNC(=O)C1CC[NH+](Cc2cccc(OCC)c2[O-])CC1 ZINC000179919831 519866969 /nfs/dbraw/zinc/86/69/69/519866969.db2.gz KONDFJVYVSLPBU-UHFFFAOYSA-N 0 3 320.433 2.529 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128521449 521149013 /nfs/dbraw/zinc/14/90/13/521149013.db2.gz PPMSGQFCHQVKCR-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128521449 521149022 /nfs/dbraw/zinc/14/90/22/521149022.db2.gz PPMSGQFCHQVKCR-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@@H](c3cnn(C)c3)C2)cc1F ZINC000128420611 522180815 /nfs/dbraw/zinc/18/08/15/522180815.db2.gz ZRDQOCFWMZBZRI-CQSZACIVSA-N 0 3 302.397 2.615 20 10 DFCDHN CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000155895130 522562874 /nfs/dbraw/zinc/56/28/74/522562874.db2.gz DITVXUYNTBRICZ-YJBOKZPZSA-N 0 3 318.461 2.934 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1[O-] ZINC000155658293 522846577 /nfs/dbraw/zinc/84/65/77/522846577.db2.gz ZJQLFDRNCDFRRJ-SJLPKXTDSA-N 0 3 319.493 2.707 20 10 DFCDHN COC[C@](C)(CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000267409274 522881067 /nfs/dbraw/zinc/88/10/67/522881067.db2.gz ZFGYVBAPILJZIB-IBGZPJMESA-N 0 3 315.413 2.936 20 10 DFCDHN Cc1cccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000182101797 524434781 /nfs/dbraw/zinc/43/47/81/524434781.db2.gz BFYGOBGVANBONT-HRAATJIYSA-N 0 3 303.427 2.910 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000180454254 524867079 /nfs/dbraw/zinc/86/70/79/524867079.db2.gz OFQXLGLKTPCAOE-CQSZACIVSA-N 0 3 324.852 2.508 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000180454254 524867089 /nfs/dbraw/zinc/86/70/89/524867089.db2.gz OFQXLGLKTPCAOE-CQSZACIVSA-N 0 3 324.852 2.508 20 10 DFCDHN C[C@H](NCC(=O)NCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000181289139 525304670 /nfs/dbraw/zinc/30/46/70/525304670.db2.gz VYVTWQHTLBEJNB-HNNXBMFYSA-N 0 3 315.461 2.854 20 10 DFCDHN Cc1cc(O)c(CN[C@H]2CCN(Cc3ccccc3)C2=O)cc1C ZINC000266186361 525322501 /nfs/dbraw/zinc/32/25/01/525322501.db2.gz HFJHFPYQUZKUOG-SFHVURJKSA-N 0 3 324.424 2.900 20 10 DFCDHN C[C@@H](NC[C@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156451392 525502230 /nfs/dbraw/zinc/50/22/30/525502230.db2.gz GLINZNJRGXWMTP-GDBMZVCRSA-N 0 3 322.424 2.882 20 10 DFCDHN COc1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c1[O-] ZINC000365164732 526035030 /nfs/dbraw/zinc/03/50/30/526035030.db2.gz RVFSMXBHLLVTEE-YJBOKZPZSA-N 0 3 313.397 2.786 20 10 DFCDHN COc1cccc(CN[C@@H]2c3ccccc3CC[C@H]2CO)c1O ZINC000365164732 526035039 /nfs/dbraw/zinc/03/50/39/526035039.db2.gz RVFSMXBHLLVTEE-YJBOKZPZSA-N 0 3 313.397 2.786 20 10 DFCDHN COc1cccc(CN[C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000154705716 526036026 /nfs/dbraw/zinc/03/60/26/526036026.db2.gz AUHRJELPZSDSEQ-QRQCRPRQSA-N 0 3 319.426 2.610 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000182943133 526334688 /nfs/dbraw/zinc/33/46/88/526334688.db2.gz XVUPLQILBFQKNV-QGZVFWFLSA-N 0 3 313.397 2.928 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000182943133 526334693 /nfs/dbraw/zinc/33/46/93/526334693.db2.gz XVUPLQILBFQKNV-QGZVFWFLSA-N 0 3 313.397 2.928 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000180115069 526760255 /nfs/dbraw/zinc/76/02/55/526760255.db2.gz KLVKOUZNTDOZBB-CQSZACIVSA-N 0 3 318.396 2.652 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000180115069 526760263 /nfs/dbraw/zinc/76/02/63/526760263.db2.gz KLVKOUZNTDOZBB-CQSZACIVSA-N 0 3 318.396 2.652 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@H]1CO ZINC000183015883 527589979 /nfs/dbraw/zinc/58/99/79/527589979.db2.gz ASKQSPKDHLXOKU-KRWDZBQOSA-N 0 3 313.397 2.928 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H]1CO ZINC000183015883 527589986 /nfs/dbraw/zinc/58/99/86/527589986.db2.gz ASKQSPKDHLXOKU-KRWDZBQOSA-N 0 3 313.397 2.928 20 10 DFCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2[O-])C[C@@H]1C ZINC000289450145 535563620 /nfs/dbraw/zinc/56/36/20/535563620.db2.gz NCPDANJGYYEPCM-AEGPPILISA-N 0 3 321.417 2.858 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@H](OCC)[C@]23CCCO3)c1 ZINC000273570089 535753065 /nfs/dbraw/zinc/75/30/65/535753065.db2.gz GHYYKHJKEVMPSR-SQNIBIBYSA-N 0 3 321.417 2.607 20 10 DFCDHN CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285510033 535803747 /nfs/dbraw/zinc/80/37/47/535803747.db2.gz AOQTUEGRVSBBQK-QGZVFWFLSA-N 0 3 323.456 2.600 20 10 DFCDHN CN(C)c1ccc(CN2CCSC3(CCOCC3)C2)cc1F ZINC000274438511 536147397 /nfs/dbraw/zinc/14/73/97/536147397.db2.gz BESWWEMYKLKNFN-UHFFFAOYSA-N 0 3 324.465 2.990 20 10 DFCDHN COC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273399908 536412555 /nfs/dbraw/zinc/41/25/55/536412555.db2.gz MWWFPZCNQKWQJQ-CYBMUJFWSA-N 0 3 306.406 2.890 20 10 DFCDHN COc1ccc(N2CCN(CC3(SC)CC3)CC2)cc1F ZINC000289324353 536696850 /nfs/dbraw/zinc/69/68/50/536696850.db2.gz UDEPWXKLPDCRAO-UHFFFAOYSA-N 0 3 310.438 2.852 20 10 DFCDHN Cc1cc(C)c(O)c(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826263987 607845521 /nfs/dbraw/zinc/84/55/21/607845521.db2.gz YFSXPRMZRJEPEZ-UHFFFAOYSA-N 0 3 323.400 2.821 20 10 DFCDHN Cc1cc(C)c(O)c(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826263987 607845522 /nfs/dbraw/zinc/84/55/22/607845522.db2.gz YFSXPRMZRJEPEZ-UHFFFAOYSA-N 0 3 323.400 2.821 20 10 DFCDHN Cc1cc(C)c(O)c(C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826263987 607845523 /nfs/dbraw/zinc/84/55/23/607845523.db2.gz YFSXPRMZRJEPEZ-UHFFFAOYSA-N 0 3 323.400 2.821 20 10 DFCDHN Cc1cc(C)c(O)c(C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826263987 607845524 /nfs/dbraw/zinc/84/55/24/607845524.db2.gz YFSXPRMZRJEPEZ-UHFFFAOYSA-N 0 3 323.400 2.821 20 10 DFCDHN Cc1ccc(O)c(C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826291451 608525269 /nfs/dbraw/zinc/52/52/69/608525269.db2.gz GONMNRVKQWPRCB-UHFFFAOYSA-N 0 3 309.373 2.513 20 10 DFCDHN Cc1ccc(O)c(C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826291451 608525270 /nfs/dbraw/zinc/52/52/70/608525270.db2.gz GONMNRVKQWPRCB-UHFFFAOYSA-N 0 3 309.373 2.513 20 10 DFCDHN CC[NH+](CC)C[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079469368 185172748 /nfs/dbraw/zinc/17/27/48/185172748.db2.gz SPLLYGZKXWDWJF-CQSZACIVSA-N 0 3 322.424 2.898 20 10 DFCDHN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092710454 185335916 /nfs/dbraw/zinc/33/59/16/185335916.db2.gz KTRIDRCBXKBFBG-HNNXBMFYSA-N 0 3 304.434 2.829 20 10 DFCDHN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092710454 185335917 /nfs/dbraw/zinc/33/59/17/185335917.db2.gz KTRIDRCBXKBFBG-HNNXBMFYSA-N 0 3 304.434 2.829 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000093585492 398641531 /nfs/dbraw/zinc/64/15/31/398641531.db2.gz FAPOKCGOEDLCPO-QAPCUYQASA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000093585492 398641533 /nfs/dbraw/zinc/64/15/33/398641533.db2.gz FAPOKCGOEDLCPO-QAPCUYQASA-N 0 3 305.418 2.918 20 10 DFCDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(N(C)C)cc1)CC2 ZINC000093613065 398642147 /nfs/dbraw/zinc/64/21/47/398642147.db2.gz HEDOOGVOUZXOON-ZWKOTPCHSA-N 0 3 318.461 2.505 20 10 DFCDHN CC(C)OC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000072629274 191204264 /nfs/dbraw/zinc/20/42/64/191204264.db2.gz XLKGOAYFNJVMMU-MRXNPFEDSA-N 0 3 321.417 2.715 20 10 DFCDHN CC(C)OC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000072629274 191204267 /nfs/dbraw/zinc/20/42/67/191204267.db2.gz XLKGOAYFNJVMMU-MRXNPFEDSA-N 0 3 321.417 2.715 20 10 DFCDHN CC(C)C(=O)NCCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000092103714 193159329 /nfs/dbraw/zinc/15/93/29/193159329.db2.gz RHJDDDRBZFOLHA-UHFFFAOYSA-N 0 3 317.477 2.881 20 10 DFCDHN C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000185028861 296147301 /nfs/dbraw/zinc/14/73/01/296147301.db2.gz AJNNHFRQZSZXMK-LSDHHAIUSA-N 0 3 318.461 2.642 20 10 DFCDHN COc1cccc(C[NH2+]CCCN(C)C(=O)OC(C)(C)C)c1[O-] ZINC000105436007 194105071 /nfs/dbraw/zinc/10/50/71/194105071.db2.gz YUVBFZPINJHPAT-UHFFFAOYSA-N 0 3 324.421 2.747 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000060358330 184146756 /nfs/dbraw/zinc/14/67/56/184146756.db2.gz UIOOXBQBRZJJPS-OAHLLOKOSA-N 0 3 305.349 2.753 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)c([O-])c1 ZINC000272696276 130054552 /nfs/dbraw/zinc/05/45/52/130054552.db2.gz XWIJDVRSRXBFTJ-PBHICJAKSA-N 0 3 304.434 2.707 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)c([O-])c1 ZINC000272696276 130054554 /nfs/dbraw/zinc/05/45/54/130054554.db2.gz XWIJDVRSRXBFTJ-PBHICJAKSA-N 0 3 304.434 2.707 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c1 ZINC000273361032 130110883 /nfs/dbraw/zinc/11/08/83/130110883.db2.gz AHPQAOQOJZFGPG-MRXNPFEDSA-N 0 3 318.461 2.996 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCCCCS(C)(=O)=O)c([O-])c1C ZINC000274800260 130262452 /nfs/dbraw/zinc/26/24/52/130262452.db2.gz QWGQPINBMBSABG-CQSZACIVSA-N 0 3 313.463 2.875 20 10 DFCDHN CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275106727 130292090 /nfs/dbraw/zinc/29/20/90/130292090.db2.gz DQWSTYJDCOWGFH-ONGXEEELSA-N 0 3 302.212 2.885 20 10 DFCDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000275352552 130307340 /nfs/dbraw/zinc/30/73/40/130307340.db2.gz UGLZMXDKNLHKSU-YJBOKZPZSA-N 0 3 315.417 2.671 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](c3cncn3C)C2)cc1C ZINC000275537975 130332093 /nfs/dbraw/zinc/33/20/93/130332093.db2.gz MKKYGVKIJQPEDS-CRAIPNDOSA-N 0 3 315.417 2.752 20 10 DFCDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(C)ccc1O ZINC000284504633 131087438 /nfs/dbraw/zinc/08/74/38/131087438.db2.gz CSQSVQICQKGQKX-SOLBZPMBSA-N 0 3 305.418 2.717 20 10 DFCDHN Cc1cccc(CN[C@@H](c2nccn2C)C2CCOCC2)c1O ZINC000284699449 131104975 /nfs/dbraw/zinc/10/49/75/131104975.db2.gz QNSYJGRZURPMFQ-MRXNPFEDSA-N 0 3 315.417 2.692 20 10 DFCDHN Cc1cc(C)c([C@H](C)NCCS(=O)(=O)C(C)(C)C)c(O)c1 ZINC000285092805 131137558 /nfs/dbraw/zinc/13/75/58/131137558.db2.gz KBFVUSRMHSGZJB-ZDUSSCGKSA-N 0 3 313.463 2.873 20 10 DFCDHN CN(C)c1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)cc1F ZINC000285090621 131138142 /nfs/dbraw/zinc/13/81/42/131138142.db2.gz QDMWXKVQVUTSNF-FUHWJXTLSA-N 0 3 315.392 2.907 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000285439738 131168951 /nfs/dbraw/zinc/16/89/51/131168951.db2.gz IEZRHNIYEYKXKB-XYPWUTKMSA-N 0 3 320.408 2.791 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000285439738 131168952 /nfs/dbraw/zinc/16/89/52/131168952.db2.gz IEZRHNIYEYKXKB-XYPWUTKMSA-N 0 3 320.408 2.791 20 10 DFCDHN CC(=O)c1cc(F)cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[O-] ZINC000285439738 131168954 /nfs/dbraw/zinc/16/89/54/131168954.db2.gz IEZRHNIYEYKXKB-XYPWUTKMSA-N 0 3 320.408 2.791 20 10 DFCDHN CC(=O)c1cc(F)cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[O-] ZINC000285439738 131168956 /nfs/dbraw/zinc/16/89/56/131168956.db2.gz IEZRHNIYEYKXKB-XYPWUTKMSA-N 0 3 320.408 2.791 20 10 DFCDHN CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1[O-] ZINC000285569748 131182134 /nfs/dbraw/zinc/18/21/34/131182134.db2.gz UBFHDQRWRVYDSQ-CXAGYDPISA-N 0 3 320.433 2.574 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(N3CCCC3)CCOCC1)CC2 ZINC000297913780 132040024 /nfs/dbraw/zinc/04/00/24/132040024.db2.gz WSPGSMZHLROQKC-MRXNPFEDSA-N 0 3 316.445 2.614 20 10 DFCDHN CN(C(=O)C[NH2+][C@H]1CCc2cccc([O-])c21)C1CCCCC1 ZINC000297931199 132041215 /nfs/dbraw/zinc/04/12/15/132041215.db2.gz XPUZBPGLRQOZII-HNNXBMFYSA-N 0 3 302.418 2.760 20 10 DFCDHN CCOC(=O)[C@@H]1CC[C@H](NCc2ccc(N(C)C)c(F)c2)C1 ZINC000125963602 425998417 /nfs/dbraw/zinc/99/84/17/425998417.db2.gz SULGMNNXJXSAGP-KGLIPLIRSA-N 0 3 308.397 2.713 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000162654897 426072080 /nfs/dbraw/zinc/07/20/80/426072080.db2.gz DUKZNPQGZWSSJZ-UHFFFAOYSA-N 0 3 316.445 2.925 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1[O-] ZINC000074334945 426046370 /nfs/dbraw/zinc/04/63/70/426046370.db2.gz JETABENMUGJPHB-AWEZNQCLSA-N 0 3 304.390 2.776 20 10 DFCDHN O=C1c2ccccc2C(=O)N1CCCC[NH2+]Cc1ccccc1[O-] ZINC000111394136 426048966 /nfs/dbraw/zinc/04/89/66/426048966.db2.gz BLUFEICXUALBNL-UHFFFAOYSA-N 0 3 324.380 2.558 20 10 DFCDHN CN(C)c1ccc(CNC[C@H](O)c2ccc(F)cc2)cc1F ZINC000113318431 426111712 /nfs/dbraw/zinc/11/17/12/426111712.db2.gz UPUCDJLGJXXAEY-KRWDZBQOSA-N 0 3 306.356 2.854 20 10 DFCDHN CN(C)c1ccc(CNC[C@@H](c2ccco2)N(C)C)cc1F ZINC000113313148 426112202 /nfs/dbraw/zinc/11/22/02/426112202.db2.gz WQJCZLHOZZVDMQ-INIZCTEOSA-N 0 3 305.397 2.877 20 10 DFCDHN CCC[C@@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167859141 426133736 /nfs/dbraw/zinc/13/37/36/426133736.db2.gz WFKYXVPQQNCKIB-QGZVFWFLSA-N 0 3 303.450 2.667 20 10 DFCDHN CCC[C@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167859033 426133815 /nfs/dbraw/zinc/13/38/15/426133815.db2.gz WFKYXVPQQNCKIB-KRWDZBQOSA-N 0 3 303.450 2.667 20 10 DFCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCCC2(C)C)cc1 ZINC000171067049 426167358 /nfs/dbraw/zinc/16/73/58/426167358.db2.gz KYCBHTUJMQXRTM-UHFFFAOYSA-N 0 3 303.450 2.585 20 10 DFCDHN CC[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N(C)C ZINC000119966936 426304714 /nfs/dbraw/zinc/30/47/14/426304714.db2.gz IZSMGRRCBXVKOA-GOSISDBHSA-N 0 3 317.477 2.879 20 10 DFCDHN CCN(CC)c1ccc(CNC[C@](C)(O)CSC)cc1F ZINC000152294749 426336604 /nfs/dbraw/zinc/33/66/04/426336604.db2.gz AZGMSGZFMCMIGS-INIZCTEOSA-N 0 3 314.470 2.876 20 10 DFCDHN C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1[O-] ZINC000154006080 426418971 /nfs/dbraw/zinc/41/89/71/426418971.db2.gz SZYWAVMQCLLHLE-CYBMUJFWSA-N 0 3 300.406 2.603 20 10 DFCDHN CN(C)c1ccc(CN(C)C(=O)CN2CCC3(CCC3)C2)cc1 ZINC000176925506 426425750 /nfs/dbraw/zinc/42/57/50/426425750.db2.gz QGLTVSPKVXOPEZ-UHFFFAOYSA-N 0 3 315.461 2.587 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000123743777 426451100 /nfs/dbraw/zinc/45/11/00/426451100.db2.gz YWGGVERECUYGOD-JSGCOSHPSA-N 0 3 319.323 2.679 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@](C)(OC)CC2)cc1OC ZINC000280253986 426532187 /nfs/dbraw/zinc/53/21/87/426532187.db2.gz LIWDFLJHRKAZDJ-KRWDZBQOSA-N 0 3 309.406 2.800 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@](C)(OC)CC2)cc1OC ZINC000280253986 426532191 /nfs/dbraw/zinc/53/21/91/426532191.db2.gz LIWDFLJHRKAZDJ-KRWDZBQOSA-N 0 3 309.406 2.800 20 10 DFCDHN C/C=C/C[C@H](CO)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186498189 426539958 /nfs/dbraw/zinc/53/99/58/426539958.db2.gz NZICAOLYHPCDLG-YMBFEGSUSA-N 0 3 322.424 2.640 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC000280128654 426503109 /nfs/dbraw/zinc/50/31/09/426503109.db2.gz CGUVAQCCKLXXFF-SFHVURJKSA-N 0 3 321.417 2.561 20 10 DFCDHN CCOc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000280411678 426570752 /nfs/dbraw/zinc/57/07/52/426570752.db2.gz HYRZHUSCEQYYPE-SUNYJGFJSA-N 0 3 321.417 2.559 20 10 DFCDHN COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000222080352 426581468 /nfs/dbraw/zinc/58/14/68/426581468.db2.gz KQQRLHVDVIRPJC-GFCCVEGCSA-N 0 3 324.421 2.794 20 10 DFCDHN Cc1cccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000224791448 426594203 /nfs/dbraw/zinc/59/42/03/426594203.db2.gz BUZVKXSKZLEIMJ-AWEZNQCLSA-N 0 3 306.406 2.800 20 10 DFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@H](C)O)c1[O-] ZINC000187207693 426638707 /nfs/dbraw/zinc/63/87/07/426638707.db2.gz SBKWCWYFEJRHIV-VHSXEESVSA-N 0 3 302.212 2.885 20 10 DFCDHN CO[C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000234885076 426658606 /nfs/dbraw/zinc/65/86/06/426658606.db2.gz KLQOMPGWVZCZCS-LBPRGKRZSA-N 0 3 300.196 2.684 20 10 DFCDHN CO[C@@H](C)C[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000289866843 426675886 /nfs/dbraw/zinc/67/58/86/426675886.db2.gz VPMVRRTXPUQFQH-JTQLQIEISA-N 0 3 302.212 2.930 20 10 DFCDHN CO[C@@H](C)C[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000289866843 426675889 /nfs/dbraw/zinc/67/58/89/426675889.db2.gz VPMVRRTXPUQFQH-JTQLQIEISA-N 0 3 302.212 2.930 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000289904465 426676346 /nfs/dbraw/zinc/67/63/46/426676346.db2.gz WXYMVSAXSYDMBP-AWEZNQCLSA-N 0 3 303.324 2.980 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000289904465 426676352 /nfs/dbraw/zinc/67/63/52/426676352.db2.gz WXYMVSAXSYDMBP-AWEZNQCLSA-N 0 3 303.324 2.980 20 10 DFCDHN CCCCN(C)C[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000289982967 426678837 /nfs/dbraw/zinc/67/88/37/426678837.db2.gz BRWYKVXWOCXCNO-ZDUSSCGKSA-N 0 3 310.438 2.619 20 10 DFCDHN C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000237311256 426689298 /nfs/dbraw/zinc/68/92/98/426689298.db2.gz FQEUYGFTTWNENF-LBPRGKRZSA-N 0 3 315.369 2.937 20 10 DFCDHN CCN(CC)c1ccc(CN2CC[C@@](C)(C(=O)NC)C2)cc1F ZINC000281150434 426703004 /nfs/dbraw/zinc/70/30/04/426703004.db2.gz PAHHCIZSZJWXTC-GOSISDBHSA-N 0 3 321.440 2.630 20 10 DFCDHN C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cc(F)ccc1[O-] ZINC000290205313 426716264 /nfs/dbraw/zinc/71/62/64/426716264.db2.gz GXFPWOFVEHNEBG-RMLVOYDJSA-N 0 3 303.333 2.677 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1OC ZINC000290490963 426774667 /nfs/dbraw/zinc/77/46/67/426774667.db2.gz OQCFODXBQFDSEC-KRWDZBQOSA-N 0 3 309.406 2.536 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]2(C)CCCO)cc1OC ZINC000290490963 426774674 /nfs/dbraw/zinc/77/46/74/426774674.db2.gz OQCFODXBQFDSEC-KRWDZBQOSA-N 0 3 309.406 2.536 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]2(C)CCCO)cc1OC ZINC000290490967 426774721 /nfs/dbraw/zinc/77/47/21/426774721.db2.gz OQCFODXBQFDSEC-QGZVFWFLSA-N 0 3 309.406 2.536 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@]2(C)CCCO)cc1OC ZINC000290490967 426774727 /nfs/dbraw/zinc/77/47/27/426774727.db2.gz OQCFODXBQFDSEC-QGZVFWFLSA-N 0 3 309.406 2.536 20 10 DFCDHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(OC)ccc1O ZINC000245923138 426782015 /nfs/dbraw/zinc/78/20/15/426782015.db2.gz YGNJPCITBDESDA-KCXAZCMYSA-N 0 3 319.401 2.707 20 10 DFCDHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290275155 426731217 /nfs/dbraw/zinc/73/12/17/426731217.db2.gz WPTUJFNZHBNBFX-HZSPNIEDSA-N 0 3 310.413 2.736 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000281644709 426735618 /nfs/dbraw/zinc/73/56/18/426735618.db2.gz PEQRNCKRXWPYGX-CABCVRRESA-N 0 3 303.450 2.804 20 10 DFCDHN C[N@H+](CCCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000281675714 426742281 /nfs/dbraw/zinc/74/22/81/426742281.db2.gz DSPMHXOAEVVFJZ-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN C[N@@H+](CCCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000281675714 426742285 /nfs/dbraw/zinc/74/22/85/426742285.db2.gz DSPMHXOAEVVFJZ-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179566354 426802385 /nfs/dbraw/zinc/80/23/85/426802385.db2.gz NLZILSDNSNUWEY-ZBFHGGJFSA-N 0 3 304.434 2.909 20 10 DFCDHN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179566354 426802392 /nfs/dbraw/zinc/80/23/92/426802392.db2.gz NLZILSDNSNUWEY-ZBFHGGJFSA-N 0 3 304.434 2.909 20 10 DFCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1ccsc1 ZINC000179563530 426802759 /nfs/dbraw/zinc/80/27/59/426802759.db2.gz LWMVLVQCDLGELM-UHFFFAOYSA-N 0 3 316.426 2.848 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290637274 426810303 /nfs/dbraw/zinc/81/03/03/426810303.db2.gz YGVLQMUTSKLVCL-ZDUSSCGKSA-N 0 3 322.836 2.798 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290637274 426810307 /nfs/dbraw/zinc/81/03/07/426810307.db2.gz YGVLQMUTSKLVCL-ZDUSSCGKSA-N 0 3 322.836 2.798 20 10 DFCDHN COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1[O-] ZINC000282578160 426919283 /nfs/dbraw/zinc/91/92/83/426919283.db2.gz BCEJOUCDYVSTRX-LBPRGKRZSA-N 0 3 324.421 2.746 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291247118 426879263 /nfs/dbraw/zinc/87/92/63/426879263.db2.gz LPEMUOVCVFUSPV-OAHLLOKOSA-N 0 3 312.404 2.982 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCc3nn(C)cc32)c1 ZINC000282312111 426879436 /nfs/dbraw/zinc/87/94/36/426879436.db2.gz DNOBDWJIOPMJHJ-IAQYHMDHSA-N 0 3 301.390 2.863 20 10 DFCDHN COCCn1cc(CN[C@@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000282761565 426925159 /nfs/dbraw/zinc/92/51/59/426925159.db2.gz OHEUXSROZGAYLJ-AWEZNQCLSA-N 0 3 303.406 2.703 20 10 DFCDHN CCCCN(CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000282370250 426894535 /nfs/dbraw/zinc/89/45/35/426894535.db2.gz DZSWOVJVZDZEOW-UHFFFAOYSA-N 0 3 316.401 2.904 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCC23CCOCC3)cc1OC ZINC000282430204 426909823 /nfs/dbraw/zinc/90/98/23/426909823.db2.gz FHLZEEMMIHIMRS-QGZVFWFLSA-N 0 3 321.417 2.848 20 10 DFCDHN CCCOc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c([O-])c1 ZINC000317153984 426954720 /nfs/dbraw/zinc/95/47/20/426954720.db2.gz XETXRYFCQLCFBM-INIZCTEOSA-N 0 3 304.434 2.851 20 10 DFCDHN CCCOc1ccc(CN2CCC[N@H+]3CCC[C@H]3C2)c([O-])c1 ZINC000317153984 426954725 /nfs/dbraw/zinc/95/47/25/426954725.db2.gz XETXRYFCQLCFBM-INIZCTEOSA-N 0 3 304.434 2.851 20 10 DFCDHN Cc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3[O-])CC2)n[nH]1 ZINC000275847399 426934864 /nfs/dbraw/zinc/93/48/64/426934864.db2.gz HSNBDGGQMNBXBZ-ZDUSSCGKSA-N 0 3 300.406 2.743 20 10 DFCDHN CCCOc1ccc(C[N@H+](C)CCOCCOCC)c([O-])c1 ZINC000276212924 427008492 /nfs/dbraw/zinc/00/84/92/427008492.db2.gz PKPRGNHIYSJJEM-UHFFFAOYSA-N 0 3 311.422 2.666 20 10 DFCDHN CCCOc1ccc(C[N@@H+](C)CCOCCOCC)c([O-])c1 ZINC000276212924 427008498 /nfs/dbraw/zinc/00/84/98/427008498.db2.gz PKPRGNHIYSJJEM-UHFFFAOYSA-N 0 3 311.422 2.666 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)CC2 ZINC000295812134 427016625 /nfs/dbraw/zinc/01/66/25/427016625.db2.gz CTTAABXSDRRKQV-DGCLKSJQSA-N 0 3 314.351 2.853 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1ccc3c(c1)OCCO3)CC2 ZINC000296033797 427051120 /nfs/dbraw/zinc/05/11/20/427051120.db2.gz QGIYAICCBUUGQG-OAHLLOKOSA-N 0 3 311.381 2.983 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1ccc3c(c1)OCCO3)CC2 ZINC000296033795 427052128 /nfs/dbraw/zinc/05/21/28/427052128.db2.gz QGIYAICCBUUGQG-HNNXBMFYSA-N 0 3 311.381 2.983 20 10 DFCDHN COCCOC1(C[NH2+][C@H](C)c2cc(C)ccc2[O-])CCOCC1 ZINC000296265148 427129202 /nfs/dbraw/zinc/12/92/02/427129202.db2.gz DKGQQDKCKZXGMK-OAHLLOKOSA-N 0 3 323.433 2.563 20 10 DFCDHN CC(C)[C@@H](C(=O)N(C)Cc1ccccc1O)N1CCCCC1 ZINC000269147220 427148812 /nfs/dbraw/zinc/14/88/12/427148812.db2.gz MYBJIZFPTATVGN-KRWDZBQOSA-N 0 3 304.434 2.861 20 10 DFCDHN C[C@@H](c1ccccc1[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296647451 427227027 /nfs/dbraw/zinc/22/70/27/427227027.db2.gz YOKDDRNHMDYVJL-SOUVJXGZSA-N 0 3 310.397 2.734 20 10 DFCDHN C[C@@H](c1ccccc1[O-])[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296647451 427227035 /nfs/dbraw/zinc/22/70/35/427227035.db2.gz YOKDDRNHMDYVJL-SOUVJXGZSA-N 0 3 310.397 2.734 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000183277374 427239103 /nfs/dbraw/zinc/23/91/03/427239103.db2.gz RWQNMHOIXSIMAS-UHFFFAOYSA-N 0 3 318.339 2.517 20 10 DFCDHN CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000183379681 427256888 /nfs/dbraw/zinc/25/68/88/427256888.db2.gz XOXCEGCJOSEVGG-CYBMUJFWSA-N 0 3 310.825 2.702 20 10 DFCDHN CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000183379681 427256892 /nfs/dbraw/zinc/25/68/92/427256892.db2.gz XOXCEGCJOSEVGG-CYBMUJFWSA-N 0 3 310.825 2.702 20 10 DFCDHN CCN(CC)c1ccc(CNCc2ccc(C)n(C)c2=O)cc1 ZINC000278728660 427450506 /nfs/dbraw/zinc/45/05/06/427450506.db2.gz LQTOVVGJPNPAJS-UHFFFAOYSA-N 0 3 313.445 2.830 20 10 DFCDHN C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000278791103 427452975 /nfs/dbraw/zinc/45/29/75/427452975.db2.gz YRUJTAZFIJBNES-KBPBESRZSA-N 0 3 310.413 2.683 20 10 DFCDHN CCCOc1ccc(C[NH+]2CCC(CCC(N)=O)CC2)c([O-])c1 ZINC000271215342 427456950 /nfs/dbraw/zinc/45/69/50/427456950.db2.gz WIQXXMKHEUQSIM-UHFFFAOYSA-N 0 3 320.433 2.659 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1[O-] ZINC000271189277 427437998 /nfs/dbraw/zinc/43/79/98/427437998.db2.gz LQHWCKZFYGEFKW-UHFFFAOYSA-N 0 3 301.390 2.894 20 10 DFCDHN COc1ccc(N2CCN(C[C@@H]3CCSC3)CC2)cc1F ZINC000278441510 427439285 /nfs/dbraw/zinc/43/92/85/427439285.db2.gz LSAAWMJKQWJLBG-ZDUSSCGKSA-N 0 3 310.438 2.709 20 10 DFCDHN COCC1(O)CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000271185759 427439457 /nfs/dbraw/zinc/43/94/57/427439457.db2.gz NGTBFWBBIYXGIS-UHFFFAOYSA-N 0 3 318.461 2.650 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000278424843 427439572 /nfs/dbraw/zinc/43/95/72/427439572.db2.gz GJAQBIZQTKDJRB-HOTGVXAUSA-N 0 3 306.450 2.852 20 10 DFCDHN CN(C)c1ccc(CN2CCC(C3(C)OCCO3)CC2)cc1F ZINC000271191570 427440967 /nfs/dbraw/zinc/44/09/67/427440967.db2.gz PPBPFBHZFMGXCC-UHFFFAOYSA-N 0 3 322.424 2.867 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCO[C@@H](c2cncn2C)C1)c1cc(F)ccc1[O-] ZINC000278938130 427506386 /nfs/dbraw/zinc/50/63/86/427506386.db2.gz JZAPTYOYSYIMST-PLQHRBFRSA-N 0 3 319.380 2.836 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000184696108 427521682 /nfs/dbraw/zinc/52/16/82/427521682.db2.gz NCCMPQIGRUYQAD-NSHDSACASA-N 0 3 321.808 2.777 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000184696108 427521688 /nfs/dbraw/zinc/52/16/88/427521688.db2.gz NCCMPQIGRUYQAD-NSHDSACASA-N 0 3 321.808 2.777 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1ccccc1[O-] ZINC000278990180 427524220 /nfs/dbraw/zinc/52/42/20/427524220.db2.gz PXIHZTOFDTZNQY-JCKWVBRZSA-N 0 3 315.417 2.944 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)c1 ZINC000279004369 427525832 /nfs/dbraw/zinc/52/58/32/427525832.db2.gz RYPIXGRFMZCPBL-OLZOCXBDSA-N 0 3 301.390 2.511 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000271413322 427529241 /nfs/dbraw/zinc/52/92/41/427529241.db2.gz KNJRBYMKLIWPDB-MRXNPFEDSA-N 0 3 321.417 2.956 20 10 DFCDHN COc1ccc(OC)c(CNCc2cccc(OC)c2O)c1 ZINC000263713485 427549293 /nfs/dbraw/zinc/54/92/93/427549293.db2.gz UWMHCSALSIJZHT-UHFFFAOYSA-N 0 3 303.358 2.708 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1[O-] ZINC000192812011 427615269 /nfs/dbraw/zinc/61/52/69/427615269.db2.gz MQONPHNCGQDWRW-ZBFHGGJFSA-N 0 3 312.417 2.892 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184914431 427564445 /nfs/dbraw/zinc/56/44/45/427564445.db2.gz BLWTZZVZQOOJAE-KFWWJZLASA-N 0 3 322.449 2.551 20 10 DFCDHN Cc1cccc(CN2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1O ZINC000271704098 427580305 /nfs/dbraw/zinc/58/03/05/427580305.db2.gz DVONNCAMGJCSSS-OAHLLOKOSA-N 0 3 304.434 2.827 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(c3cnn(C)c3)CC2)c1 ZINC000271723868 427586818 /nfs/dbraw/zinc/58/68/18/427586818.db2.gz KWLKQXXDVYPAMO-UHFFFAOYSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000271853987 427591219 /nfs/dbraw/zinc/59/12/19/427591219.db2.gz RYDODBFDEWFDBK-UKRRQHHQSA-N 0 3 301.386 2.655 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c([O-])c1 ZINC000185127828 427599225 /nfs/dbraw/zinc/59/92/25/427599225.db2.gz LGXGAOFDYBJUPD-HIFRSBDPSA-N 0 3 319.376 2.930 20 10 DFCDHN CN(C)C(=O)CNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000294937712 427665511 /nfs/dbraw/zinc/66/55/11/427665511.db2.gz CKFHKBTXWCMICW-UHFFFAOYSA-N 0 3 317.458 2.562 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000192939178 427639650 /nfs/dbraw/zinc/63/96/50/427639650.db2.gz NNZPQZNTGHEWRW-DZGCQCFKSA-N 0 3 309.406 2.637 20 10 DFCDHN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000185788466 427705611 /nfs/dbraw/zinc/70/56/11/427705611.db2.gz NCEHINUDWWRWMQ-CZUORRHYSA-N 0 3 316.445 2.933 20 10 DFCDHN CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)N(C)C ZINC000298921888 427729601 /nfs/dbraw/zinc/72/96/01/427729601.db2.gz OUVMOVIARXHIMP-KRWDZBQOSA-N 0 3 305.466 2.830 20 10 DFCDHN Cc1noc(CC[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)n1 ZINC000185972486 427736879 /nfs/dbraw/zinc/73/68/79/427736879.db2.gz VEDGXHNRCKHRLP-LLVKDONJSA-N 0 3 301.390 2.856 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc2c(cc1[O-])CCCC2 ZINC000185994167 427739614 /nfs/dbraw/zinc/73/96/14/427739614.db2.gz HAGDACWQMRWJPI-WFASDCNBSA-N 0 3 312.417 2.528 20 10 DFCDHN CC[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000369874678 428078466 /nfs/dbraw/zinc/07/84/66/428078466.db2.gz QNLVHUAPOQIONR-MOPGFXCFSA-N 0 3 318.461 2.913 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[O-] ZINC000359977113 428101118 /nfs/dbraw/zinc/10/11/18/428101118.db2.gz VNXFFJDLMPYAPA-SMDDNHRTSA-N 0 3 310.825 2.580 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1[O-] ZINC000359977113 428101123 /nfs/dbraw/zinc/10/11/23/428101123.db2.gz VNXFFJDLMPYAPA-SMDDNHRTSA-N 0 3 310.825 2.580 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000371875497 428407609 /nfs/dbraw/zinc/40/76/09/428407609.db2.gz CFNFAHQJDHAKLL-ZDUSSCGKSA-N 0 3 313.397 2.581 20 10 DFCDHN COc1cccc(C[N@@H+]2CCCC[C@H]2Cn2cccn2)c1[O-] ZINC000371371615 428386277 /nfs/dbraw/zinc/38/62/77/428386277.db2.gz CLPZPFAZUITGLC-HNNXBMFYSA-N 0 3 301.390 2.652 20 10 DFCDHN COc1cccc(C[N@H+]2CCCC[C@H]2Cn2cccn2)c1[O-] ZINC000371371615 428386280 /nfs/dbraw/zinc/38/62/80/428386280.db2.gz CLPZPFAZUITGLC-HNNXBMFYSA-N 0 3 301.390 2.652 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000372598405 428470670 /nfs/dbraw/zinc/47/06/70/428470670.db2.gz GYCGNXJJESCGSJ-ZIAGYGMSSA-N 0 3 315.417 2.760 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000372598405 428470675 /nfs/dbraw/zinc/47/06/75/428470675.db2.gz GYCGNXJJESCGSJ-ZIAGYGMSSA-N 0 3 315.417 2.760 20 10 DFCDHN O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000372979814 428510098 /nfs/dbraw/zinc/51/00/98/428510098.db2.gz UTYBXAKDRIXAFJ-HNNXBMFYSA-N 0 3 311.385 2.638 20 10 DFCDHN O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000372979814 428510105 /nfs/dbraw/zinc/51/01/05/428510105.db2.gz UTYBXAKDRIXAFJ-HNNXBMFYSA-N 0 3 311.385 2.638 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1ccccc1[O-] ZINC000373459538 428580899 /nfs/dbraw/zinc/58/08/99/428580899.db2.gz MBAZGJGBRMWEQX-GOEBONIOSA-N 0 3 312.417 2.892 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@H](CC)O[C@]3(CCOC3)C2)c1 ZINC000373484350 428588939 /nfs/dbraw/zinc/58/89/39/428588939.db2.gz XLDISHDFOGNBEB-MAUKXSAKSA-N 0 3 321.417 2.561 20 10 DFCDHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])CC2 ZINC000373561880 428607241 /nfs/dbraw/zinc/60/72/41/428607241.db2.gz QZOGJMLUVSYRQA-HIFRSBDPSA-N 0 3 314.433 2.910 20 10 DFCDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000373738114 428645263 /nfs/dbraw/zinc/64/52/63/428645263.db2.gz NFPBDAFAUPERTA-XUWXXGDYSA-N 0 3 310.397 2.631 20 10 DFCDHN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000373738114 428645267 /nfs/dbraw/zinc/64/52/67/428645267.db2.gz NFPBDAFAUPERTA-XUWXXGDYSA-N 0 3 310.397 2.631 20 10 DFCDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374014463 428660799 /nfs/dbraw/zinc/66/07/99/428660799.db2.gz OBRJUSJFVFVPDK-MDZRGWNJSA-N 0 3 318.461 2.911 20 10 DFCDHN C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282473227 274305312 /nfs/dbraw/zinc/30/53/12/274305312.db2.gz UVUVKQITTDHZIA-ACJLOTCBSA-N 0 3 310.397 2.673 20 10 DFCDHN Cc1noc(C2(C)CC[NH+](Cc3cc(F)ccc3[O-])CC2)n1 ZINC000374730751 428740175 /nfs/dbraw/zinc/74/01/75/428740175.db2.gz AXLLNAKBYPERLD-UHFFFAOYSA-N 0 3 305.353 2.776 20 10 DFCDHN COc1ccc(N2CCC(N(C)Cc3cncn3C)CC2)cc1 ZINC000363608847 428953071 /nfs/dbraw/zinc/95/30/71/428953071.db2.gz KSWPRLFIJLNFJW-UHFFFAOYSA-N 0 3 314.433 2.530 20 10 DFCDHN Cc1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000363854606 428998602 /nfs/dbraw/zinc/99/86/02/428998602.db2.gz MIGAJUTWIHJJEK-TZMCWYRMSA-N 0 3 300.406 2.575 20 10 DFCDHN Cc1ccc(O)c(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364325350 429182613 /nfs/dbraw/zinc/18/26/13/429182613.db2.gz BTBYIKOMPFJOLC-AWEZNQCLSA-N 0 3 316.361 2.642 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364325350 429182616 /nfs/dbraw/zinc/18/26/16/429182616.db2.gz BTBYIKOMPFJOLC-AWEZNQCLSA-N 0 3 316.361 2.642 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000364325350 429182618 /nfs/dbraw/zinc/18/26/18/429182618.db2.gz BTBYIKOMPFJOLC-AWEZNQCLSA-N 0 3 316.361 2.642 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(C)cc1[O-] ZINC000365580069 429346114 /nfs/dbraw/zinc/34/61/14/429346114.db2.gz CSMBOYRCXWFFOY-ZBFHGGJFSA-N 0 3 314.433 2.754 20 10 DFCDHN CC(C)C(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000295994210 275557902 /nfs/dbraw/zinc/55/79/02/275557902.db2.gz NVZUWTDXCXHNEY-OAHLLOKOSA-N 0 3 302.418 2.616 20 10 DFCDHN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)c1ccco1 ZINC000367350239 429628784 /nfs/dbraw/zinc/62/87/84/429628784.db2.gz SYEJNEXUYQABCH-CQSZACIVSA-N 0 3 314.385 2.627 20 10 DFCDHN O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)c1ccco1 ZINC000367350239 429628788 /nfs/dbraw/zinc/62/87/88/429628788.db2.gz SYEJNEXUYQABCH-CQSZACIVSA-N 0 3 314.385 2.627 20 10 DFCDHN Cc1cc(O)c(CN2CCN([C@@H]3CCSC3)CC2)cc1C ZINC000367536588 429667033 /nfs/dbraw/zinc/66/70/33/429667033.db2.gz VUPVSUUISUKGGX-MRXNPFEDSA-N 0 3 306.475 2.632 20 10 DFCDHN CCN(CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000297826205 276313889 /nfs/dbraw/zinc/31/38/89/276313889.db2.gz JNWCXWDYMLKEAX-UHFFFAOYSA-N 0 3 303.450 2.633 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000367703997 429703664 /nfs/dbraw/zinc/70/36/64/429703664.db2.gz OEPVCZMHXZOQFG-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000367703997 429703666 /nfs/dbraw/zinc/70/36/66/429703666.db2.gz OEPVCZMHXZOQFG-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)[C@@]12CCCO2 ZINC000296280767 276481296 /nfs/dbraw/zinc/48/12/96/276481296.db2.gz CPHZKOPAESJQKG-VUNQQRPYSA-N 0 3 303.402 2.696 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N[C@H]2Cc3ccccc3NC2=O)c1 ZINC000528001317 429833204 /nfs/dbraw/zinc/83/32/04/429833204.db2.gz OZPKNAATFOFUDG-BZNIZROVSA-N 0 3 312.369 2.615 20 10 DFCDHN C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(F)ccc1[O-] ZINC000368477937 429854900 /nfs/dbraw/zinc/85/49/00/429854900.db2.gz LWCCMBTZQBFDCU-GFCCVEGCSA-N 0 3 303.381 2.957 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000368795010 429894376 /nfs/dbraw/zinc/89/43/76/429894376.db2.gz DHCCBGLNVYDVPH-AEFFLSMTSA-N 0 3 317.477 2.555 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000368795010 429894378 /nfs/dbraw/zinc/89/43/78/429894378.db2.gz DHCCBGLNVYDVPH-AEFFLSMTSA-N 0 3 317.477 2.555 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000368587982 429873496 /nfs/dbraw/zinc/87/34/96/429873496.db2.gz FGXUCMNPFYDNLY-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000368587982 429873498 /nfs/dbraw/zinc/87/34/98/429873498.db2.gz FGXUCMNPFYDNLY-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN C[C@@H](C[S@](C)=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280444468 278296895 /nfs/dbraw/zinc/29/68/95/278296895.db2.gz YKECCDWWBFJDOC-CWKPULSASA-N 0 3 322.396 2.628 20 10 DFCDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000290609426 280104998 /nfs/dbraw/zinc/10/49/98/280104998.db2.gz WJHWMTLJLZBGMD-JSGCOSHPSA-N 0 3 306.406 2.880 20 10 DFCDHN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[O-] ZINC000290609426 280105002 /nfs/dbraw/zinc/10/50/02/280105002.db2.gz WJHWMTLJLZBGMD-JSGCOSHPSA-N 0 3 306.406 2.880 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000368795013 280219078 /nfs/dbraw/zinc/21/90/78/280219078.db2.gz DHCCBGLNVYDVPH-WMZOPIPTSA-N 0 3 317.477 2.555 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000368795013 280219079 /nfs/dbraw/zinc/21/90/79/280219079.db2.gz DHCCBGLNVYDVPH-WMZOPIPTSA-N 0 3 317.477 2.555 20 10 DFCDHN Cc1cc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1N(C)C ZINC000293487501 335110913 /nfs/dbraw/zinc/11/09/13/335110913.db2.gz GHQNHAFGGJOFPO-NVXWUHKLSA-N 0 3 324.490 2.506 20 10 DFCDHN CCOc1cccc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000294045363 335119627 /nfs/dbraw/zinc/11/96/27/335119627.db2.gz WONZPORBZVCSOX-KRWDZBQOSA-N 0 3 315.413 2.826 20 10 DFCDHN CCOc1cccc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000294045363 335119628 /nfs/dbraw/zinc/11/96/28/335119628.db2.gz WONZPORBZVCSOX-KRWDZBQOSA-N 0 3 315.413 2.826 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)CC2 ZINC000295790228 335137934 /nfs/dbraw/zinc/13/79/34/335137934.db2.gz BNJJCJSWKIZZQB-RHSMWYFYSA-N 0 3 315.388 2.959 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCC3(CCOCC3)[C@@H]1O)CC2 ZINC000296476068 335142308 /nfs/dbraw/zinc/14/23/08/335142308.db2.gz OUFRMFQSUHKXOF-IIDMSEBBSA-N 0 3 317.429 2.537 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)CC2 ZINC000297070546 335148956 /nfs/dbraw/zinc/14/89/56/335148956.db2.gz WJBOUQKVDKGIKT-HOTGVXAUSA-N 0 3 301.361 2.712 20 10 DFCDHN Cc1noc([C@@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000271091520 334018348 /nfs/dbraw/zinc/01/83/48/334018348.db2.gz IDVMVXOZBNYZBV-CQSZACIVSA-N 0 3 318.396 2.963 20 10 DFCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)NCCF ZINC000282835872 334137587 /nfs/dbraw/zinc/13/75/87/334137587.db2.gz SLTZDURWIJXEML-GJZGRUSLSA-N 0 3 321.440 2.802 20 10 DFCDHN Cc1cc(CN2C[C@H](C)OC3(CCOCC3)C2)ccc1N(C)C ZINC000294042980 334204997 /nfs/dbraw/zinc/20/49/97/334204997.db2.gz IVFYVYLVYNGGIX-INIZCTEOSA-N 0 3 318.461 2.831 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(C)cc1[O-] ZINC000366859335 335221605 /nfs/dbraw/zinc/22/16/05/335221605.db2.gz TZOOYGPUAWFXAS-VYDXJSESSA-N 0 3 304.434 2.605 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c1[O-] ZINC000366927047 335372611 /nfs/dbraw/zinc/37/26/11/335372611.db2.gz VKJVZOYVKPRWGS-HIFRSBDPSA-N 0 3 308.809 2.501 20 10 DFCDHN CN(C)CCN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1 ZINC000104341215 336251001 /nfs/dbraw/zinc/25/10/01/336251001.db2.gz HEFXFBZBIIUXBB-CMDGGOBGSA-N 0 3 313.376 2.829 20 10 DFCDHN CCOC(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000192882463 336280008 /nfs/dbraw/zinc/28/00/08/336280008.db2.gz GJKYCAXKFWSIAX-GFCCVEGCSA-N 0 3 322.405 2.672 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(C)cc1[O-] ZINC000367258997 336581526 /nfs/dbraw/zinc/58/15/26/336581526.db2.gz GBEKHCYOJKZTBU-ZBFHGGJFSA-N 0 3 302.418 2.943 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000360253118 336706391 /nfs/dbraw/zinc/70/63/91/336706391.db2.gz GZMPMJHVLHLKCM-OAHLLOKOSA-N 0 3 313.401 2.536 20 10 DFCDHN COc1cc([O-])c(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1OC ZINC000368246125 336841073 /nfs/dbraw/zinc/84/10/73/336841073.db2.gz RNNKMMMPXMYUQV-AWEZNQCLSA-N 0 3 321.417 2.658 20 10 DFCDHN Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1[O-] ZINC000368489008 336845955 /nfs/dbraw/zinc/84/59/55/336845955.db2.gz WKMBBWMPNZUEFY-GOSISDBHSA-N 0 3 324.424 2.634 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000368979113 336855996 /nfs/dbraw/zinc/85/59/96/336855996.db2.gz XRZSZMMPFRNQDK-OAHLLOKOSA-N 0 3 315.417 2.825 20 10 DFCDHN CN1C(=O)C[C@@H](C[NH2+]Cc2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000370118707 336877822 /nfs/dbraw/zinc/87/78/22/336877822.db2.gz BTHUPHAGIXXEPV-LPHOPBHVSA-N 0 3 310.397 2.701 20 10 DFCDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@@H]3CCCOC3)CC1)OCO2 ZINC000371587464 336908416 /nfs/dbraw/zinc/90/84/16/336908416.db2.gz DDAMAAQCISFQKP-CQSZACIVSA-N 0 3 319.401 2.760 20 10 DFCDHN CN(C)Cc1cccc(C(=O)NCc2ccc3c(c2)CCN3C)c1 ZINC000372236536 336925997 /nfs/dbraw/zinc/92/59/97/336925997.db2.gz OFOORXPXQSMMSC-UHFFFAOYSA-N 0 3 323.440 2.671 20 10 DFCDHN [O-]c1ccccc1C[NH2+]C1CC(O)(Cc2cccc(F)c2)C1 ZINC000373520038 336963646 /nfs/dbraw/zinc/96/36/46/336963646.db2.gz DUNVBDMTENETSD-UHFFFAOYSA-N 0 3 301.361 2.757 20 10 DFCDHN CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1ccc(C)cc1[O-])CC2 ZINC000373561882 336964685 /nfs/dbraw/zinc/96/46/85/336964685.db2.gz QZOGJMLUVSYRQA-UKRRQHHQSA-N 0 3 314.433 2.910 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(c2nncn2C)CC1 ZINC000375307217 337007755 /nfs/dbraw/zinc/00/77/55/337007755.db2.gz FPUUEGWMMFIMHP-HNNXBMFYSA-N 0 3 300.406 2.851 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(C)cc1[O-] ZINC000375651562 337015619 /nfs/dbraw/zinc/01/56/19/337015619.db2.gz YUCBKHKKOHMEJJ-WMLDXEAASA-N 0 3 314.433 2.754 20 10 DFCDHN CCOc1cccc(CN[C@@]2(CO)CCc3ccccc32)c1O ZINC000305162597 337016616 /nfs/dbraw/zinc/01/66/16/337016616.db2.gz NSTUKSFCNGLGFQ-LJQANCHMSA-N 0 3 313.397 2.715 20 10 DFCDHN CN(C)c1ccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000376020625 337025479 /nfs/dbraw/zinc/02/54/79/337025479.db2.gz WVDMNMUJIKNUBQ-GOSISDBHSA-N 0 3 304.434 2.523 20 10 DFCDHN CN(C)c1ccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000376020626 337025505 /nfs/dbraw/zinc/02/55/05/337025505.db2.gz WVDMNMUJIKNUBQ-SFHVURJKSA-N 0 3 304.434 2.523 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccncn2)C1)c1cc(F)ccc1[O-] ZINC000376308466 337030993 /nfs/dbraw/zinc/03/09/93/337030993.db2.gz SKUZKFBQGMDJBI-TZMCWYRMSA-N 0 3 316.380 2.641 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)c([O-])c1 ZINC000376894160 337043334 /nfs/dbraw/zinc/04/33/34/337043334.db2.gz RORXJHWZLGRMGA-XHSDSOJGSA-N 0 3 304.434 2.605 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000376896175 337043406 /nfs/dbraw/zinc/04/34/06/337043406.db2.gz YXQQVVWGZMKYFZ-JQFCIGGWSA-N 0 3 322.424 2.825 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC[C@H](c3noc(C)n3)C2)c1 ZINC000378349540 337070560 /nfs/dbraw/zinc/07/05/60/337070560.db2.gz KFUBZZFPLTWYOA-ZDUSSCGKSA-N 0 3 317.389 2.862 20 10 DFCDHN COc1ccc(N2CCC(N[C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000378401923 337071958 /nfs/dbraw/zinc/07/19/58/337071958.db2.gz KZXDZQOQLYWQEG-CYBMUJFWSA-N 0 3 300.406 2.738 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[O-] ZINC000228667771 337078160 /nfs/dbraw/zinc/07/81/60/337078160.db2.gz NPZLIHZCRFLVBT-KGLIPLIRSA-N 0 3 310.825 2.723 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[O-] ZINC000228667771 337078161 /nfs/dbraw/zinc/07/81/61/337078161.db2.gz NPZLIHZCRFLVBT-KGLIPLIRSA-N 0 3 310.825 2.723 20 10 DFCDHN Cn1cccc1[C@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000179709100 337169220 /nfs/dbraw/zinc/16/92/20/337169220.db2.gz JRJJNRKAYVEKON-CQSZACIVSA-N 0 3 300.358 2.797 20 10 DFCDHN C[C@@H](CCN(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227441934 337205218 /nfs/dbraw/zinc/20/52/18/337205218.db2.gz DXKOQTQJGMNJMQ-JTQLQIEISA-N 0 3 301.228 2.585 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(F)ccc1[O-] ZINC000185687944 337250133 /nfs/dbraw/zinc/25/01/33/337250133.db2.gz BUURUPJAOQDZKV-AAEUAGOBSA-N 0 3 319.355 2.995 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(F)ccc1[O-] ZINC000185687927 337250211 /nfs/dbraw/zinc/25/02/11/337250211.db2.gz BUURUPJAOQDZKV-DGCLKSJQSA-N 0 3 319.355 2.995 20 10 DFCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000180015560 518831811 /nfs/dbraw/zinc/83/18/11/518831811.db2.gz OADUZEMKZDEMDX-ZDUSSCGKSA-N 0 3 306.406 2.739 20 10 DFCDHN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000180015560 518831824 /nfs/dbraw/zinc/83/18/24/518831824.db2.gz OADUZEMKZDEMDX-ZDUSSCGKSA-N 0 3 306.406 2.739 20 10 DFCDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])C(=O)NCC1CCCC1 ZINC000180871840 519321498 /nfs/dbraw/zinc/32/14/98/519321498.db2.gz NIPPLKFCOICLPJ-UHFFFAOYSA-N 0 3 308.397 2.706 20 10 DFCDHN CCCNC(=O)CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000158364743 519879976 /nfs/dbraw/zinc/87/99/76/519879976.db2.gz RVQOEUWPFLYWKY-HNNXBMFYSA-N 0 3 303.450 2.854 20 10 DFCDHN CCOC[C@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000265058547 520152411 /nfs/dbraw/zinc/15/24/11/520152411.db2.gz YHCNCPOASDLSGK-GOSISDBHSA-N 0 3 306.450 2.506 20 10 DFCDHN CC1(C)CC(NCc2cc([N+](=O)[O-])ccc2[O-])CC(C)(C)[NH2+]1 ZINC000236628877 520288314 /nfs/dbraw/zinc/28/83/14/520288314.db2.gz HJRFTBHSIKOTAL-UHFFFAOYSA-N 0 3 307.394 2.699 20 10 DFCDHN CC1(C)CC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC(C)(C)N1 ZINC000236628877 520288334 /nfs/dbraw/zinc/28/83/34/520288334.db2.gz HJRFTBHSIKOTAL-UHFFFAOYSA-N 0 3 307.394 2.699 20 10 DFCDHN CC1CCN(c2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc2)CC1 ZINC000236731205 521040276 /nfs/dbraw/zinc/04/02/76/521040276.db2.gz ZIIPZXGEIZPWSC-QGZVFWFLSA-N 0 3 317.477 2.913 20 10 DFCDHN CN(C)c1ccc(CNC(=O)C[C@H](N)c2ccccc2)cc1F ZINC000237082938 522191768 /nfs/dbraw/zinc/19/17/68/522191768.db2.gz QHSKVMWVUUXQMJ-INIZCTEOSA-N 0 3 315.392 2.598 20 10 DFCDHN CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180138743 522597875 /nfs/dbraw/zinc/59/78/75/522597875.db2.gz AMXKXWONHAPMQI-HNNXBMFYSA-N 0 3 315.417 2.997 20 10 DFCDHN CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180138743 522597882 /nfs/dbraw/zinc/59/78/82/522597882.db2.gz AMXKXWONHAPMQI-HNNXBMFYSA-N 0 3 315.417 2.997 20 10 DFCDHN COC[C@](C)(CCO)NCc1ccc(N2CCCCC2)cc1 ZINC000267320486 522882116 /nfs/dbraw/zinc/88/21/16/522882116.db2.gz FIVXKINJPRKIFG-SFHVURJKSA-N 0 3 306.450 2.554 20 10 DFCDHN CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1ccccc1[O-] ZINC000157469778 522918077 /nfs/dbraw/zinc/91/80/77/522918077.db2.gz GCUBBWFLZFCLQY-CVEARBPZSA-N 0 3 322.449 2.610 20 10 DFCDHN CN1CC[C@H](C[N@H+](C)Cc2cc(Br)ccc2[O-])C1 ZINC000156019193 523164369 /nfs/dbraw/zinc/16/43/69/523164369.db2.gz NXIRNJICHMLFHY-NSHDSACASA-N 0 3 313.239 2.538 20 10 DFCDHN CN1CC[C@H](C[N@@H+](C)Cc2cc(Br)ccc2[O-])C1 ZINC000156019193 523164376 /nfs/dbraw/zinc/16/43/76/523164376.db2.gz NXIRNJICHMLFHY-NSHDSACASA-N 0 3 313.239 2.538 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1[O-] ZINC000363844590 524390006 /nfs/dbraw/zinc/39/00/06/524390006.db2.gz ISYPWXDVUJIMFV-OAHLLOKOSA-N 0 3 305.418 2.718 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000180454273 524864457 /nfs/dbraw/zinc/86/44/57/524864457.db2.gz OFQXLGLKTPCAOE-AWEZNQCLSA-N 0 3 324.852 2.508 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1[O-] ZINC000180454273 524864470 /nfs/dbraw/zinc/86/44/70/524864470.db2.gz OFQXLGLKTPCAOE-AWEZNQCLSA-N 0 3 324.852 2.508 20 10 DFCDHN C[C@](O)(CC[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000189824606 525166573 /nfs/dbraw/zinc/16/65/73/525166573.db2.gz ZPLKRZROQMRVOD-SFHVURJKSA-N 0 3 315.369 2.508 20 10 DFCDHN C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc2c(cc1[O-])CCCC2 ZINC000186149789 525319970 /nfs/dbraw/zinc/31/99/70/525319970.db2.gz POCSEYYMNGVLDP-AWEZNQCLSA-N 0 3 319.445 2.711 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1C ZINC000364242534 525320453 /nfs/dbraw/zinc/32/04/53/525320453.db2.gz QICIFSNWKOBNSV-UHFFFAOYSA-N 0 3 305.418 2.781 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCOC3(CCOCC3)CC2)cc1C ZINC000364242534 525320464 /nfs/dbraw/zinc/32/04/64/525320464.db2.gz QICIFSNWKOBNSV-UHFFFAOYSA-N 0 3 305.418 2.781 20 10 DFCDHN COc1ccc([C@H](CO)N(C)Cc2cccc(C)c2O)cc1 ZINC000180253217 525360756 /nfs/dbraw/zinc/36/07/56/525360756.db2.gz AEBRGTBLYCAQGP-KRWDZBQOSA-N 0 3 301.386 2.875 20 10 DFCDHN COc1ccc([C@H](CO)[N@H+](C)Cc2cccc(C)c2[O-])cc1 ZINC000180253217 525360767 /nfs/dbraw/zinc/36/07/67/525360767.db2.gz AEBRGTBLYCAQGP-KRWDZBQOSA-N 0 3 301.386 2.875 20 10 DFCDHN COc1ccc([C@H](CO)[N@@H+](C)Cc2cccc(C)c2[O-])cc1 ZINC000180253217 525360777 /nfs/dbraw/zinc/36/07/77/525360777.db2.gz AEBRGTBLYCAQGP-KRWDZBQOSA-N 0 3 301.386 2.875 20 10 DFCDHN C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc2c(cc1[O-])CCCC2 ZINC000184888965 525434071 /nfs/dbraw/zinc/43/40/71/525434071.db2.gz JUVYHBGRCQBLCT-CQSZACIVSA-N 0 3 316.445 2.934 20 10 DFCDHN C[C@@H](NCc1ccc2c(c1)CCO2)[C@@H](O)c1cccc(F)c1 ZINC000267160761 525531685 /nfs/dbraw/zinc/53/16/85/525531685.db2.gz FUHZRSYYXOGPLI-KZULUSFZSA-N 0 3 301.361 2.972 20 10 DFCDHN C[C@@](O)(CC[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000189824586 525763964 /nfs/dbraw/zinc/76/39/64/525763964.db2.gz ZPLKRZROQMRVOD-GOSISDBHSA-N 0 3 315.369 2.508 20 10 DFCDHN Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c([O-])c1O ZINC000182246056 526058424 /nfs/dbraw/zinc/05/84/24/526058424.db2.gz BGEKZAWZSCROJR-UHFFFAOYSA-N 0 3 320.433 2.743 20 10 DFCDHN Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)c([O-])c1O ZINC000182246056 526058434 /nfs/dbraw/zinc/05/84/34/526058434.db2.gz BGEKZAWZSCROJR-UHFFFAOYSA-N 0 3 320.433 2.743 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000191180012 526156945 /nfs/dbraw/zinc/15/69/45/526156945.db2.gz PIGYLXQRPAQMMT-ZANVPECISA-N 0 3 314.223 2.666 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000191180012 526156951 /nfs/dbraw/zinc/15/69/51/526156951.db2.gz PIGYLXQRPAQMMT-ZANVPECISA-N 0 3 314.223 2.666 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](c3nccs3)C1)OCO2 ZINC000156542208 526333991 /nfs/dbraw/zinc/33/39/91/526333991.db2.gz CWFKXFBDHCXYPY-LLVKDONJSA-N 0 3 318.398 2.957 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](c3nccs3)C1)OCO2 ZINC000156542208 526333995 /nfs/dbraw/zinc/33/39/95/526333995.db2.gz CWFKXFBDHCXYPY-LLVKDONJSA-N 0 3 318.398 2.957 20 10 DFCDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@@H]3CCCO3)CC1)OCO2 ZINC000190176715 526334096 /nfs/dbraw/zinc/33/40/96/526334096.db2.gz VGRKQOLCTUMZPV-HNNXBMFYSA-N 0 3 305.374 2.512 20 10 DFCDHN Cc1nsc(N2CCCN(Cc3cccc(C)c3O)CC2)n1 ZINC000180504832 526710657 /nfs/dbraw/zinc/71/06/57/526710657.db2.gz MDAYSOLUXYDUMZ-UHFFFAOYSA-N 0 3 318.446 2.573 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](CO)C1 ZINC000183031644 527592638 /nfs/dbraw/zinc/59/26/38/527592638.db2.gz LWXDGLBZQWIRDA-MRXNPFEDSA-N 0 3 313.397 2.785 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000183031644 527592644 /nfs/dbraw/zinc/59/26/44/527592644.db2.gz LWXDGLBZQWIRDA-MRXNPFEDSA-N 0 3 313.397 2.785 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000273078967 535752281 /nfs/dbraw/zinc/75/22/81/535752281.db2.gz IQSHBTPLNBNRFX-QGZVFWFLSA-N 0 3 315.413 2.874 20 10 DFCDHN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cccc(C)c1O ZINC000284798143 536624078 /nfs/dbraw/zinc/62/40/78/536624078.db2.gz ZSZIURNVKHPTCX-BRWVUGGUSA-N 0 3 305.418 2.717 20 10 DFCDHN COCCOc1ncccc1CN[C@H](C)c1cc(C)ccc1O ZINC000273438549 536743179 /nfs/dbraw/zinc/74/31/79/536743179.db2.gz XVOQFNSFBRHOIK-CQSZACIVSA-N 0 3 316.401 2.972 20 10 DFCDHN COc1cc(O)c(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000272390433 536856436 /nfs/dbraw/zinc/85/64/36/536856436.db2.gz HBFAPOBDDHYLIT-ZFWWWQNUSA-N 0 3 323.433 2.638 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000272390433 536856439 /nfs/dbraw/zinc/85/64/39/536856439.db2.gz HBFAPOBDDHYLIT-ZFWWWQNUSA-N 0 3 323.433 2.638 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000272390433 536856440 /nfs/dbraw/zinc/85/64/40/536856440.db2.gz HBFAPOBDDHYLIT-ZFWWWQNUSA-N 0 3 323.433 2.638 20 10 DFCDHN C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820432467 599394823 /nfs/dbraw/zinc/39/48/23/599394823.db2.gz OMTBBBMGZLMUGU-ZDUSSCGKSA-N 0 3 322.416 2.784 20 10 DFCDHN C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820432467 599394825 /nfs/dbraw/zinc/39/48/25/599394825.db2.gz OMTBBBMGZLMUGU-ZDUSSCGKSA-N 0 3 322.416 2.784 20 10 DFCDHN CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000090411946 185295122 /nfs/dbraw/zinc/29/51/22/185295122.db2.gz OYGUPNWEKKZFBD-ZBFHGGJFSA-N 0 3 318.465 2.597 20 10 DFCDHN Cc1ccc(O)c(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000092455468 185319744 /nfs/dbraw/zinc/31/97/44/185319744.db2.gz AAWUZJZTZXXGAU-AWEZNQCLSA-N 0 3 306.406 2.800 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000092648911 185331310 /nfs/dbraw/zinc/33/13/10/185331310.db2.gz VCQVRKWNPREZFA-UHFFFAOYSA-N 0 3 301.390 2.825 20 10 DFCDHN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000092705925 185334689 /nfs/dbraw/zinc/33/46/89/185334689.db2.gz IBOOKTWHAUWQLW-QGZVFWFLSA-N 0 3 317.477 2.737 20 10 DFCDHN CCCC(=O)N[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000092708097 185335180 /nfs/dbraw/zinc/33/51/80/185335180.db2.gz GNDARXPKMZVWHP-INIZCTEOSA-N 0 3 303.450 2.633 20 10 DFCDHN CC[C@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(N(C)C)cc1 ZINC000089680117 398463421 /nfs/dbraw/zinc/46/34/21/398463421.db2.gz RHRSLPYFOARTKX-OALUTQOASA-N 0 3 317.477 2.657 20 10 DFCDHN c1cnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nc1 ZINC000091676782 398540136 /nfs/dbraw/zinc/54/01/36/398540136.db2.gz ZCYRUIHHGCZVCX-UHFFFAOYSA-N 0 3 323.444 2.621 20 10 DFCDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000366815223 335049814 /nfs/dbraw/zinc/04/98/14/335049814.db2.gz ZNCSXFGINUDESG-RVKKMQEKSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000366815223 335049815 /nfs/dbraw/zinc/04/98/15/335049815.db2.gz ZNCSXFGINUDESG-RVKKMQEKSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000366815223 335049816 /nfs/dbraw/zinc/04/98/16/335049816.db2.gz ZNCSXFGINUDESG-RVKKMQEKSA-N 0 3 305.418 2.859 20 10 DFCDHN COC[C@H](CN[C@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000272641313 130048189 /nfs/dbraw/zinc/04/81/89/130048189.db2.gz CSWCNTISEUHVHV-QAPCUYQASA-N 0 3 306.450 2.989 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(N(C)C)nc2)c1 ZINC000273369861 130113059 /nfs/dbraw/zinc/11/30/59/130113059.db2.gz FUQNFCQKDXZYIF-GFCCVEGCSA-N 0 3 301.390 2.713 20 10 DFCDHN C[C@@H](NC[C@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273426712 130120201 /nfs/dbraw/zinc/12/02/01/130120201.db2.gz ULMDNTOSBCUDEQ-OTYXRUKQSA-N 0 3 303.324 2.845 20 10 DFCDHN Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)c2ccccc2)c1 ZINC000273433974 130120799 /nfs/dbraw/zinc/12/07/99/130120799.db2.gz WONFXYZZLXPTOT-CQSZACIVSA-N 0 3 319.426 2.825 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(C)C)CC2)c1 ZINC000273484275 130126608 /nfs/dbraw/zinc/12/66/08/130126608.db2.gz MUUXKWLSWLGYTR-CYBMUJFWSA-N 0 3 320.433 2.702 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000273488065 130127477 /nfs/dbraw/zinc/12/74/77/130127477.db2.gz NQELBDPENBEJNJ-FNHZYXHNSA-N 0 3 318.461 2.729 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000273488076 130128244 /nfs/dbraw/zinc/12/82/44/130128244.db2.gz NQELBDPENBEJNJ-UCLAIMLFSA-N 0 3 318.461 2.729 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCCNC(=O)C2CCC2)c([O-])c1C ZINC000273547774 130134767 /nfs/dbraw/zinc/13/47/67/130134767.db2.gz ZQGGBXNXYAOXGY-AWEZNQCLSA-N 0 3 304.434 2.966 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c([O-])c1C ZINC000273586869 130140961 /nfs/dbraw/zinc/14/09/61/130140961.db2.gz NZOFFAMTEKOYJY-HRCADAONSA-N 0 3 306.450 2.769 20 10 DFCDHN C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc2c(cc1[O-])CCCC2 ZINC000273591860 130142138 /nfs/dbraw/zinc/14/21/38/130142138.db2.gz PIQMYVGMGJGUJM-QWHCGFSZSA-N 0 3 300.406 2.602 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c([O-])c1C ZINC000273595804 130142226 /nfs/dbraw/zinc/14/22/26/130142226.db2.gz QLOUJDCCRJJZKR-PBHICJAKSA-N 0 3 319.493 2.543 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c([O-])c1C ZINC000273595812 130142265 /nfs/dbraw/zinc/14/22/65/130142265.db2.gz QLOUJDCCRJJZKR-YOEHRIQHSA-N 0 3 319.493 2.543 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c([O-])c1C ZINC000273604716 130143779 /nfs/dbraw/zinc/14/37/79/130143779.db2.gz SWCXHZDQBSYWJJ-XJKSGUPXSA-N 0 3 306.450 2.628 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)c([O-])c1C ZINC000274659108 130252322 /nfs/dbraw/zinc/25/23/22/130252322.db2.gz VGUIOTVASGWLKG-RDJZCZTQSA-N 0 3 319.493 2.686 20 10 DFCDHN C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccccc1[O-] ZINC000274681729 130253186 /nfs/dbraw/zinc/25/31/86/130253186.db2.gz RMCCLBYDNQIJKD-CYBMUJFWSA-N 0 3 324.380 2.557 20 10 DFCDHN CC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000275106724 130291052 /nfs/dbraw/zinc/29/10/52/130291052.db2.gz DQWSTYJDCOWGFH-MWLCHTKSSA-N 0 3 302.212 2.885 20 10 DFCDHN CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(C)c1[O-] ZINC000275625077 130351328 /nfs/dbraw/zinc/35/13/28/130351328.db2.gz RWVOBUUKNRTKDL-MAUKXSAKSA-N 0 3 315.417 2.784 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)cc1C ZINC000275687049 130364295 /nfs/dbraw/zinc/36/42/95/130364295.db2.gz WSECRXIHOKZAJU-KBXCAEBGSA-N 0 3 315.417 2.610 20 10 DFCDHN C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000281027567 130833016 /nfs/dbraw/zinc/83/30/16/130833016.db2.gz ZWGXJGRIZAXMQY-RRQGHBQHSA-N 0 3 319.445 2.567 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c([O-])c1 ZINC000284103069 131049398 /nfs/dbraw/zinc/04/93/98/131049398.db2.gz MWFYIXSGNJGLTB-OAHLLOKOSA-N 0 3 306.450 2.506 20 10 DFCDHN COc1cc([O-])c(C[NH+]2CCC3(CCOCC3)CC2)cc1OC ZINC000284532676 131089593 /nfs/dbraw/zinc/08/95/93/131089593.db2.gz VBPVXHPHXJWTKV-UHFFFAOYSA-N 0 3 321.417 2.802 20 10 DFCDHN CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1[O-] ZINC000287695429 131295335 /nfs/dbraw/zinc/29/53/35/131295335.db2.gz WXQVUOUAZILYQG-INIZCTEOSA-N 0 3 323.456 2.598 20 10 DFCDHN COc1ccc([O-])c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000289388158 131381633 /nfs/dbraw/zinc/38/16/33/131381633.db2.gz NGZYUFRMTIUAHX-UHFFFAOYSA-N 0 3 316.357 2.984 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000289388158 131381635 /nfs/dbraw/zinc/38/16/35/131381635.db2.gz NGZYUFRMTIUAHX-UHFFFAOYSA-N 0 3 316.357 2.984 20 10 DFCDHN CC[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000290259906 131470446 /nfs/dbraw/zinc/47/04/46/131470446.db2.gz VBGPVYMIHGDKGD-UKRRQHHQSA-N 0 3 310.413 2.738 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOCC(F)(F)C(F)F)CC2 ZINC000296258942 131952120 /nfs/dbraw/zinc/95/21/20/131952120.db2.gz BPIKNKKDAICMSQ-SNVBAGLBSA-N 0 3 307.287 2.886 20 10 DFCDHN CC[N@H+](CCCN(C)C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000230744872 542892896 /nfs/dbraw/zinc/89/28/96/542892896.db2.gz ZBXLSULJCHOQHT-UHFFFAOYSA-N 0 3 300.830 2.828 20 10 DFCDHN CC[N@@H+](CCCN(C)C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000230744872 542892899 /nfs/dbraw/zinc/89/28/99/542892899.db2.gz ZBXLSULJCHOQHT-UHFFFAOYSA-N 0 3 300.830 2.828 20 10 DFCDHN Nc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000013779925 425762946 /nfs/dbraw/zinc/76/29/46/425762946.db2.gz CWWDFLKHYMXBBB-UHFFFAOYSA-N 0 3 323.440 2.592 20 10 DFCDHN CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCCOC)c1ccccc1[O-] ZINC000157469640 425938499 /nfs/dbraw/zinc/93/84/99/425938499.db2.gz GCUBBWFLZFCLQY-HOTGVXAUSA-N 0 3 322.449 2.610 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000071408003 425985495 /nfs/dbraw/zinc/98/54/95/425985495.db2.gz QTJGVBWXVRPVGZ-GFCCVEGCSA-N 0 3 302.340 2.674 20 10 DFCDHN CCN1CCCC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000104136371 425958110 /nfs/dbraw/zinc/95/81/10/425958110.db2.gz ISZCPHSNJQLFHI-QGZVFWFLSA-N 0 3 303.450 2.585 20 10 DFCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCCCO1 ZINC000070976670 425979461 /nfs/dbraw/zinc/97/94/61/425979461.db2.gz WBXBFOHMJHBCLA-IRXDYDNUSA-N 0 3 305.418 2.942 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCCCO1 ZINC000070976670 425979465 /nfs/dbraw/zinc/97/94/65/425979465.db2.gz WBXBFOHMJHBCLA-IRXDYDNUSA-N 0 3 305.418 2.942 20 10 DFCDHN Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000111234994 426039173 /nfs/dbraw/zinc/03/91/73/426039173.db2.gz UXAZLGVJOKBUTL-KRWDZBQOSA-N 0 3 315.413 2.881 20 10 DFCDHN Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[O-])c(C)c1 ZINC000111234994 426039175 /nfs/dbraw/zinc/03/91/75/426039175.db2.gz UXAZLGVJOKBUTL-KRWDZBQOSA-N 0 3 315.413 2.881 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@H](c2ccco2)N(C)C)c1[O-] ZINC000074334949 426046823 /nfs/dbraw/zinc/04/68/23/426046823.db2.gz JETABENMUGJPHB-CQSZACIVSA-N 0 3 304.390 2.776 20 10 DFCDHN COc1cccc(C2(NCc3cc4c(cc3O)OCO4)CC2)c1 ZINC000150887833 426266160 /nfs/dbraw/zinc/26/61/60/426266160.db2.gz LDBKYKBQQLXOFL-UHFFFAOYSA-N 0 3 313.353 2.908 20 10 DFCDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000151352094 426291145 /nfs/dbraw/zinc/29/11/45/426291145.db2.gz LRYPOYMBRZDGCM-PBHICJAKSA-N 0 3 323.458 2.935 20 10 DFCDHN CN(CCOCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000151393153 426293460 /nfs/dbraw/zinc/29/34/60/426293460.db2.gz TXRKEFICODKSJW-UHFFFAOYSA-N 0 3 315.369 2.770 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000120244823 426308107 /nfs/dbraw/zinc/30/81/07/426308107.db2.gz MKHLPVHQYIDXDO-INIZCTEOSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000120244823 426308110 /nfs/dbraw/zinc/30/81/10/426308110.db2.gz MKHLPVHQYIDXDO-INIZCTEOSA-N 0 3 312.417 2.591 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC(c3noc(C)n3)CC2)c1 ZINC000092787898 426352320 /nfs/dbraw/zinc/35/23/20/426352320.db2.gz PAJHFEKRLFIEMD-UHFFFAOYSA-N 0 3 317.389 2.862 20 10 DFCDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1[O-] ZINC000154011594 426418914 /nfs/dbraw/zinc/41/89/14/426418914.db2.gz ODEBMCUCQOHDRR-CYBMUJFWSA-N 0 3 314.385 2.941 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000123743552 426451709 /nfs/dbraw/zinc/45/17/09/426451709.db2.gz YWGGVERECUYGOD-OCCSQVGLSA-N 0 3 319.323 2.679 20 10 DFCDHN COc1cccc(CN[C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000154705498 426452106 /nfs/dbraw/zinc/45/21/06/426452106.db2.gz AUHRJELPZSDSEQ-IVZQSRNASA-N 0 3 319.426 2.610 20 10 DFCDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000186475316 426536410 /nfs/dbraw/zinc/53/64/10/426536410.db2.gz ZZESRQAYGJQHCL-CYBMUJFWSA-N 0 3 312.797 2.674 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000186165633 426489484 /nfs/dbraw/zinc/48/94/84/426489484.db2.gz QJVXVWVBUXFJPV-ORAYPTAESA-N 0 3 313.397 2.885 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000186165689 426490249 /nfs/dbraw/zinc/49/02/49/426490249.db2.gz QJVXVWVBUXFJPV-YJYMSZOUSA-N 0 3 313.397 2.885 20 10 DFCDHN O[C@H](CNCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000219457487 426572408 /nfs/dbraw/zinc/57/24/08/426572408.db2.gz BNLAYLJDNLRWSM-CQSZACIVSA-N 0 3 302.340 2.690 20 10 DFCDHN COc1cccc(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1[O-] ZINC000222080418 426581684 /nfs/dbraw/zinc/58/16/84/426581684.db2.gz KQQRLHVDVIRPJC-LBPRGKRZSA-N 0 3 324.421 2.794 20 10 DFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@H](C)O)c1[O-] ZINC000187207714 426638218 /nfs/dbraw/zinc/63/82/18/426638218.db2.gz SBKWCWYFEJRHIV-UWVGGRQHSA-N 0 3 302.212 2.885 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290409285 426757710 /nfs/dbraw/zinc/75/77/10/426757710.db2.gz JXTMHPUWHKJIFC-FZMZJTMJSA-N 0 3 312.841 2.826 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290409285 426757713 /nfs/dbraw/zinc/75/77/13/426757713.db2.gz JXTMHPUWHKJIFC-FZMZJTMJSA-N 0 3 312.841 2.826 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179558280 426802749 /nfs/dbraw/zinc/80/27/49/426802749.db2.gz DQMOCZLRBFMBHI-OAHLLOKOSA-N 0 3 308.385 2.815 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179558280 426802754 /nfs/dbraw/zinc/80/27/54/426802754.db2.gz DQMOCZLRBFMBHI-OAHLLOKOSA-N 0 3 308.385 2.815 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000179569309 426803228 /nfs/dbraw/zinc/80/32/28/426803228.db2.gz NVLNZUOWXREABQ-UHFFFAOYSA-N 0 3 303.431 2.557 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000179569309 426803233 /nfs/dbraw/zinc/80/32/33/426803233.db2.gz NVLNZUOWXREABQ-UHFFFAOYSA-N 0 3 303.431 2.557 20 10 DFCDHN C[NH+](C)C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000179630717 426807552 /nfs/dbraw/zinc/80/75/52/426807552.db2.gz YMGLRVADWVLGBF-NSHDSACASA-N 0 3 313.239 2.538 20 10 DFCDHN Cc1cccc(CN2CCCN(CC(F)(F)F)CC2)c1O ZINC000179676655 426811452 /nfs/dbraw/zinc/81/14/52/426811452.db2.gz QNFGYVAMKUFOSQ-UHFFFAOYSA-N 0 3 302.340 2.771 20 10 DFCDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180017315 426831354 /nfs/dbraw/zinc/83/13/54/426831354.db2.gz LRJSEPGCVQASJY-ZDUSSCGKSA-N 0 3 308.397 2.660 20 10 DFCDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180017315 426831361 /nfs/dbraw/zinc/83/13/61/426831361.db2.gz LRJSEPGCVQASJY-ZDUSSCGKSA-N 0 3 308.397 2.660 20 10 DFCDHN CCN(CCOCCO)Cc1ccc(N2CCCCC2)cc1 ZINC000282712869 426920912 /nfs/dbraw/zinc/92/09/12/426920912.db2.gz KUNGFHYSKPJMEG-UHFFFAOYSA-N 0 3 306.450 2.508 20 10 DFCDHN OC[C@]1(NCc2ccc3c(c2)CCO3)CCCc2ccccc21 ZINC000282255819 426864894 /nfs/dbraw/zinc/86/48/94/426864894.db2.gz GVTHSNXVHKXOCM-HXUWFJFHSA-N 0 3 309.409 2.935 20 10 DFCDHN CCOc1cccc(CN2CC[C@@H](n3cc(C)cn3)C2)c1O ZINC000290957403 426872290 /nfs/dbraw/zinc/87/22/90/426872290.db2.gz RGSJWPFFTHYGSG-OAHLLOKOSA-N 0 3 301.390 2.743 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c1[O-] ZINC000290957403 426872297 /nfs/dbraw/zinc/87/22/97/426872297.db2.gz RGSJWPFFTHYGSG-OAHLLOKOSA-N 0 3 301.390 2.743 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c1[O-] ZINC000290957403 426872300 /nfs/dbraw/zinc/87/23/00/426872300.db2.gz RGSJWPFFTHYGSG-OAHLLOKOSA-N 0 3 301.390 2.743 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291323636 426882872 /nfs/dbraw/zinc/88/28/72/426882872.db2.gz SZZPKQPFHNIDAW-CQSZACIVSA-N 0 3 314.360 2.735 20 10 DFCDHN Cc1ccc(O)c(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 ZINC000291323636 426882879 /nfs/dbraw/zinc/88/28/79/426882879.db2.gz SZZPKQPFHNIDAW-CQSZACIVSA-N 0 3 314.360 2.735 20 10 DFCDHN C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282432638 426912744 /nfs/dbraw/zinc/91/27/44/426912744.db2.gz RJNSIGQXLGUMOO-CXAGYDPISA-N 0 3 310.397 2.816 20 10 DFCDHN O=C(CC[NH2+][C@@H]1CCc2cccc([O-])c21)NC1CCCCC1 ZINC000296060649 427060265 /nfs/dbraw/zinc/06/02/65/427060265.db2.gz ROKMEMXWSFCNCF-OAHLLOKOSA-N 0 3 302.418 2.808 20 10 DFCDHN CN(CC[NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)OC(C)(C)C ZINC000295789686 427018008 /nfs/dbraw/zinc/01/80/08/427018008.db2.gz AEWRWIARUSLXGB-CYBMUJFWSA-N 0 3 306.406 2.836 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CC2 ZINC000296028860 427049404 /nfs/dbraw/zinc/04/94/04/427049404.db2.gz PZYNRHXJBKVIGT-KRWDZBQOSA-N 0 3 320.396 2.809 20 10 DFCDHN COc1cc(O)c(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1OC ZINC000292107127 427090111 /nfs/dbraw/zinc/09/01/11/427090111.db2.gz PVZRADFRWGUJES-LSDHHAIUSA-N 0 3 313.344 2.887 20 10 DFCDHN CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268743078 427108376 /nfs/dbraw/zinc/10/83/76/427108376.db2.gz SYLNGBQECGDLCI-HUUCEWRRSA-N 0 3 303.450 2.852 20 10 DFCDHN C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccccc1[O-] ZINC000268807465 427121430 /nfs/dbraw/zinc/12/14/30/427121430.db2.gz GDMUMDSUXSMVFR-SNVBAGLBSA-N 0 3 310.195 2.530 20 10 DFCDHN C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000268834854 427136122 /nfs/dbraw/zinc/13/61/22/427136122.db2.gz NCCJTDDGAQQFBM-GDBMZVCRSA-N 0 3 301.434 2.558 20 10 DFCDHN CO[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000268933797 427139506 /nfs/dbraw/zinc/13/95/06/427139506.db2.gz MRVHZVCVJAZGCN-KDOFPFPSSA-N 0 3 324.440 2.984 20 10 DFCDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000249785934 427146670 /nfs/dbraw/zinc/14/66/70/427146670.db2.gz RPQWJVXJLKXJQL-GJZGRUSLSA-N 0 3 319.449 2.654 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1[O-] ZINC000292803907 427202103 /nfs/dbraw/zinc/20/21/03/427202103.db2.gz NWUBQNVBBKVHNB-INIZCTEOSA-N 0 3 310.825 2.582 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1[O-] ZINC000292803907 427202109 /nfs/dbraw/zinc/20/21/09/427202109.db2.gz NWUBQNVBBKVHNB-INIZCTEOSA-N 0 3 310.825 2.582 20 10 DFCDHN CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000183379710 427257928 /nfs/dbraw/zinc/25/79/28/427257928.db2.gz XOXCEGCJOSEVGG-ZDUSSCGKSA-N 0 3 310.825 2.702 20 10 DFCDHN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000183379710 427257935 /nfs/dbraw/zinc/25/79/35/427257935.db2.gz XOXCEGCJOSEVGG-ZDUSSCGKSA-N 0 3 310.825 2.702 20 10 DFCDHN CC[C@H](C)CN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183696141 427321161 /nfs/dbraw/zinc/32/11/61/427321161.db2.gz FMKAYPHYMCAZRG-AWEZNQCLSA-N 0 3 322.449 2.881 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000270232128 427321325 /nfs/dbraw/zinc/32/13/25/427321325.db2.gz AQVVBHIQVAAZMP-QGZVFWFLSA-N 0 3 305.349 2.537 20 10 DFCDHN C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1ccccc1[O-] ZINC000183544727 427291074 /nfs/dbraw/zinc/29/10/74/427291074.db2.gz GCNTVYPMYBKVSP-CYBMUJFWSA-N 0 3 319.426 2.788 20 10 DFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C(C)C)N(C)C ZINC000271103390 427404794 /nfs/dbraw/zinc/40/47/94/427404794.db2.gz YMZNAMBBGNAUER-KRWDZBQOSA-N 0 3 305.466 2.687 20 10 DFCDHN CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297542489 427413593 /nfs/dbraw/zinc/41/35/93/427413593.db2.gz FDXUALKDZMYQGG-IAGOWNOFSA-N 0 3 324.424 2.669 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c([O-])c1 ZINC000278789105 427453111 /nfs/dbraw/zinc/45/31/11/427453111.db2.gz YQKIPCXGWDOZOP-JKSUJKDBSA-N 0 3 306.450 2.852 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000278795757 427454347 /nfs/dbraw/zinc/45/43/47/427454347.db2.gz YXRAEENEHYOIBB-HUUCEWRRSA-N 0 3 322.449 2.552 20 10 DFCDHN CCOc1cccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000271252203 427468454 /nfs/dbraw/zinc/46/84/54/427468454.db2.gz XEVQQOPCMSJLNT-MRXNPFEDSA-N 0 3 319.376 2.623 20 10 DFCDHN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000271259760 427470959 /nfs/dbraw/zinc/47/09/59/427470959.db2.gz JJAIVMFMNNSXNN-CQSZACIVSA-N 0 3 306.406 2.833 20 10 DFCDHN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000271259760 427470964 /nfs/dbraw/zinc/47/09/64/427470964.db2.gz JJAIVMFMNNSXNN-CQSZACIVSA-N 0 3 306.406 2.833 20 10 DFCDHN [O-]c1ccccc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278184488 427424685 /nfs/dbraw/zinc/42/46/85/427424685.db2.gz FMUURGWERNEGPY-UHFFFAOYSA-N 0 3 302.349 2.970 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC(O)(COC)CC2)cc1 ZINC000271157722 427425422 /nfs/dbraw/zinc/42/54/22/427425422.db2.gz BYDWSYFJTDQXBD-UHFFFAOYSA-N 0 3 306.450 2.506 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278306541 427427949 /nfs/dbraw/zinc/42/79/49/427427949.db2.gz DUWSBRSBHXQRKD-IINYFYTJSA-N 0 3 319.323 2.536 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278395261 427429675 /nfs/dbraw/zinc/42/96/75/427429675.db2.gz AYGNNQUBRQGFIT-CQSZACIVSA-N 0 3 302.349 2.970 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278395261 427429680 /nfs/dbraw/zinc/42/96/80/427429680.db2.gz AYGNNQUBRQGFIT-CQSZACIVSA-N 0 3 302.349 2.970 20 10 DFCDHN CCOCCO[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293813576 427444306 /nfs/dbraw/zinc/44/43/06/427444306.db2.gz OJDDYQNPARSHAN-KRWDZBQOSA-N 0 3 306.450 2.688 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1OC ZINC000278584001 427447159 /nfs/dbraw/zinc/44/71/59/427447159.db2.gz DJNKKFCHPUXZRU-MRXNPFEDSA-N 0 3 317.385 2.541 20 10 DFCDHN CCN(CC)c1ccc(CNCC2(C)OCCCO2)cc1F ZINC000192253255 427511894 /nfs/dbraw/zinc/51/18/94/427511894.db2.gz YJLHSZSOKXBTMW-UHFFFAOYSA-N 0 3 310.413 2.915 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000184696089 427521127 /nfs/dbraw/zinc/52/11/27/427521127.db2.gz NCCMPQIGRUYQAD-LLVKDONJSA-N 0 3 321.808 2.777 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000184696089 427521135 /nfs/dbraw/zinc/52/11/35/427521135.db2.gz NCCMPQIGRUYQAD-LLVKDONJSA-N 0 3 321.808 2.777 20 10 DFCDHN Cc1nccn1CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000263679059 427538501 /nfs/dbraw/zinc/53/85/01/427538501.db2.gz LSRAKGPOPAUXBU-UHFFFAOYSA-N 0 3 324.222 2.840 20 10 DFCDHN O=C1NCCCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263683605 427538511 /nfs/dbraw/zinc/53/85/11/427538511.db2.gz NIEUIDZIXTXKPS-QGZVFWFLSA-N 0 3 310.397 2.818 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)c([O-])c1 ZINC000279054078 427545432 /nfs/dbraw/zinc/54/54/32/427545432.db2.gz YGZSNSUSNHYBAU-SUNYJGFJSA-N 0 3 315.417 2.863 20 10 DFCDHN C[C@H]([NH2+]CCCN1CCCC1=O)c1cc2c(cc1[O-])CCCC2 ZINC000184888945 427560043 /nfs/dbraw/zinc/56/00/43/427560043.db2.gz JUVYHBGRCQBLCT-AWEZNQCLSA-N 0 3 316.445 2.934 20 10 DFCDHN CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000184915900 427563184 /nfs/dbraw/zinc/56/31/84/427563184.db2.gz OWMLXCBOXRKMKG-BBRMVZONSA-N 0 3 310.413 2.539 20 10 DFCDHN COc1cccc(CN[C@H](CO)c2ccc(Cl)cc2)c1O ZINC000271558043 427580421 /nfs/dbraw/zinc/58/04/21/427580421.db2.gz RTZLAGDFDBZJRP-CQSZACIVSA-N 0 3 307.777 2.877 20 10 DFCDHN Cc1cccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1[O-] ZINC000271734303 427583649 /nfs/dbraw/zinc/58/36/49/427583649.db2.gz OCWRYGLOPGDIME-SFHVURJKSA-N 0 3 315.413 2.710 20 10 DFCDHN Cc1cccc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c1[O-] ZINC000271734303 427583659 /nfs/dbraw/zinc/58/36/59/427583659.db2.gz OCWRYGLOPGDIME-SFHVURJKSA-N 0 3 315.413 2.710 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000271870273 427592319 /nfs/dbraw/zinc/59/23/19/427592319.db2.gz XKCOBIDXUWIZFZ-APPDUMDISA-N 0 3 305.349 2.752 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)[C@@H](C)O)c1[O-] ZINC000271866080 427592429 /nfs/dbraw/zinc/59/24/29/427592429.db2.gz WGCXPZAYJBDWFE-SECBINFHSA-N 0 3 302.212 2.712 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000271870278 427593464 /nfs/dbraw/zinc/59/34/64/427593464.db2.gz XKCOBIDXUWIZFZ-GTNSWQLSSA-N 0 3 305.349 2.752 20 10 DFCDHN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271940780 427599113 /nfs/dbraw/zinc/59/91/13/427599113.db2.gz BQZYGRBDDSFUJP-KBPBESRZSA-N 0 3 307.390 2.804 20 10 DFCDHN CC(C)(C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)C(N)=O ZINC000294751200 427650991 /nfs/dbraw/zinc/65/09/91/427650991.db2.gz IESNTAMAWGXKMK-GFCCVEGCSA-N 0 3 308.397 2.645 20 10 DFCDHN CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)C(N)=O ZINC000294751200 427650997 /nfs/dbraw/zinc/65/09/97/427650997.db2.gz IESNTAMAWGXKMK-GFCCVEGCSA-N 0 3 308.397 2.645 20 10 DFCDHN C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(F)ccc1[O-] ZINC000185444447 427653859 /nfs/dbraw/zinc/65/38/59/427653859.db2.gz LXXJUOMGUMOQEW-GFCCVEGCSA-N 0 3 308.397 2.831 20 10 DFCDHN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185467587 427658106 /nfs/dbraw/zinc/65/81/06/427658106.db2.gz LAHFZPSUBDJFBI-SCLBCKFNSA-N 0 3 307.434 2.709 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@H](c2cccnc2)C1 ZINC000295003458 427668520 /nfs/dbraw/zinc/66/85/20/427668520.db2.gz LMWXUTPFRWRUMY-RDJZCZTQSA-N 0 3 302.349 2.936 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CCCc2ncccc2C)cc1OC ZINC000294995911 427669663 /nfs/dbraw/zinc/66/96/63/427669663.db2.gz KZVLEZUABVYIEJ-UHFFFAOYSA-N 0 3 316.401 2.835 20 10 DFCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000193337178 427686655 /nfs/dbraw/zinc/68/66/55/427686655.db2.gz FDLWTAWNEPAEOU-GASCZTMLSA-N 0 3 318.417 2.691 20 10 DFCDHN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000193337178 427686660 /nfs/dbraw/zinc/68/66/60/427686660.db2.gz FDLWTAWNEPAEOU-GASCZTMLSA-N 0 3 318.417 2.691 20 10 DFCDHN CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000279673912 427715786 /nfs/dbraw/zinc/71/57/86/427715786.db2.gz IBUPRPWMJHZKDF-ZDUSSCGKSA-N 0 3 310.825 2.702 20 10 DFCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCN1C ZINC000299522147 427766945 /nfs/dbraw/zinc/76/69/45/427766945.db2.gz LNNUYZDBDUXOOZ-SFHVURJKSA-N 0 3 315.461 2.730 20 10 DFCDHN CC[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000280011181 427725689 /nfs/dbraw/zinc/72/56/89/427725689.db2.gz GSHPFPAUYKPYFZ-ZOBUZTSGSA-N 0 3 306.450 2.851 20 10 DFCDHN CC(C)N(CCN1CCCC1=O)Cc1ccc(N(C)C)cc1 ZINC000299084308 427748613 /nfs/dbraw/zinc/74/86/13/427748613.db2.gz GNMMWFYPHCGKPU-UHFFFAOYSA-N 0 3 303.450 2.585 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(N2CCCC2=O)CC1 ZINC000369921152 428091714 /nfs/dbraw/zinc/09/17/14/428091714.db2.gz UUNLKFLOUWRIRO-MRXNPFEDSA-N 0 3 302.418 2.930 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370259840 428169749 /nfs/dbraw/zinc/16/97/49/428169749.db2.gz DXVIGBKMRFXHRY-GOSISDBHSA-N 0 3 324.424 2.634 20 10 DFCDHN Cc1cccc(CN2CCCN(C(=O)C(C)(C)C)CC2)c1O ZINC000371417950 428389796 /nfs/dbraw/zinc/38/97/96/428389796.db2.gz MKSVVGVMEVHFEU-UHFFFAOYSA-N 0 3 304.434 2.781 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+](C)C2CCN(c3ncccn3)CC2)c1 ZINC000371421437 428389873 /nfs/dbraw/zinc/38/98/73/428389873.db2.gz SRXPYUFBMXQIDQ-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+](C)C2CCN(c3ncccn3)CC2)c1 ZINC000371421437 428389880 /nfs/dbraw/zinc/38/98/80/428389880.db2.gz SRXPYUFBMXQIDQ-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(Cl)ccc1[O-] ZINC000371471470 428392226 /nfs/dbraw/zinc/39/22/26/428392226.db2.gz UQKOMSYHSRIHRD-INMHGKMJSA-N 0 3 324.852 2.729 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CCC[C@H]1N1CCOCC1)c1ccccc1[O-] ZINC000371681556 428399954 /nfs/dbraw/zinc/39/99/54/428399954.db2.gz ROQGURLERIANNP-YQQAZPJKSA-N 0 3 304.434 2.544 20 10 DFCDHN Cc1nc(C)n([C@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000360793413 428443018 /nfs/dbraw/zinc/44/30/18/428443018.db2.gz OLWAANPFYRROAH-INIZCTEOSA-N 0 3 300.406 2.746 20 10 DFCDHN Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000360793413 428443025 /nfs/dbraw/zinc/44/30/25/428443025.db2.gz OLWAANPFYRROAH-INIZCTEOSA-N 0 3 300.406 2.746 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1[O-] ZINC000372433622 428445408 /nfs/dbraw/zinc/44/54/08/428445408.db2.gz MEQCGIVXSSNLIR-AWEZNQCLSA-N 0 3 315.417 2.904 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1[O-] ZINC000372433622 428445415 /nfs/dbraw/zinc/44/54/15/428445415.db2.gz MEQCGIVXSSNLIR-AWEZNQCLSA-N 0 3 315.417 2.904 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])n1 ZINC000361050123 428532188 /nfs/dbraw/zinc/53/21/88/428532188.db2.gz FUJBLDRBVYJREO-MRXNPFEDSA-N 0 3 318.396 2.794 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])n1 ZINC000361050123 428532191 /nfs/dbraw/zinc/53/21/91/428532191.db2.gz FUJBLDRBVYJREO-MRXNPFEDSA-N 0 3 318.396 2.794 20 10 DFCDHN CC[C@H]1CN(Cc2cccc(C)c2O)C[C@@]2(CCCOC2)O1 ZINC000373470953 428585324 /nfs/dbraw/zinc/58/53/24/428585324.db2.gz UYRJKEOYZOUNQP-FUHWJXTLSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@H]1C[N@H+](Cc2cccc(C)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000373470953 428585325 /nfs/dbraw/zinc/58/53/25/428585325.db2.gz UYRJKEOYZOUNQP-FUHWJXTLSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@H]1C[N@@H+](Cc2cccc(C)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000373470953 428585327 /nfs/dbraw/zinc/58/53/27/428585327.db2.gz UYRJKEOYZOUNQP-FUHWJXTLSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1ccc(N2CCC[C@@H]([N@H+](C)Cc3ccccc3[O-])C2)nn1 ZINC000361050386 428533452 /nfs/dbraw/zinc/53/34/52/428533452.db2.gz GZGSFDWZBKCBAS-MRXNPFEDSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1ccc(N2CCC[C@@H]([N@@H+](C)Cc3ccccc3[O-])C2)nn1 ZINC000361050386 428533459 /nfs/dbraw/zinc/53/34/59/428533459.db2.gz GZGSFDWZBKCBAS-MRXNPFEDSA-N 0 3 312.417 2.591 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000373601413 428615132 /nfs/dbraw/zinc/61/51/32/428615132.db2.gz NSGXGHHZWRZPIH-INIZCTEOSA-N 0 3 302.418 2.834 20 10 DFCDHN C[C@@H]1C[C@@]2(CCO1)CN(Cc1ccc(N(C)C)cc1)C[C@H](C)O2 ZINC000374014460 428658823 /nfs/dbraw/zinc/65/88/23/428658823.db2.gz OBRJUSJFVFVPDK-GJYPPUQNSA-N 0 3 318.461 2.911 20 10 DFCDHN Cc1cc(C)cc(N(C)C(=O)c2cn[n-]c2[C@H]2CCC[NH2+]C2)c1 ZINC000423060369 429053725 /nfs/dbraw/zinc/05/37/25/429053725.db2.gz HXUQDWGMIXTOJM-AWEZNQCLSA-N 0 3 312.417 2.770 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000363910105 429139657 /nfs/dbraw/zinc/13/96/57/429139657.db2.gz UGENOJRGMCGPKA-NWDGAFQWSA-N 0 3 311.809 2.913 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000363910105 429139661 /nfs/dbraw/zinc/13/96/61/429139661.db2.gz UGENOJRGMCGPKA-NWDGAFQWSA-N 0 3 311.809 2.913 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000364624810 429237344 /nfs/dbraw/zinc/23/73/44/429237344.db2.gz UZPRZKDAWPMQMK-KBPBESRZSA-N 0 3 301.390 2.995 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000364624810 429237347 /nfs/dbraw/zinc/23/73/47/429237347.db2.gz UZPRZKDAWPMQMK-KBPBESRZSA-N 0 3 301.390 2.995 20 10 DFCDHN CN[C@H](CC(C)(C)C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000449362345 429397910 /nfs/dbraw/zinc/39/79/10/429397910.db2.gz LCLGQBKBFAKSQM-CQSZACIVSA-N 0 3 319.449 2.502 20 10 DFCDHN Cc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000366775895 429511957 /nfs/dbraw/zinc/51/19/57/429511957.db2.gz YWTMIVVCHXNRTK-RLFYNMQTSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1[O-] ZINC000366775895 429511961 /nfs/dbraw/zinc/51/19/61/429511961.db2.gz YWTMIVVCHXNRTK-RLFYNMQTSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1[O-] ZINC000366775895 429511964 /nfs/dbraw/zinc/51/19/64/429511964.db2.gz YWTMIVVCHXNRTK-RLFYNMQTSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1O ZINC000366775894 429513324 /nfs/dbraw/zinc/51/33/24/429513324.db2.gz YWTMIVVCHXNRTK-MPGHIAIKSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1[O-] ZINC000366775894 429513328 /nfs/dbraw/zinc/51/33/28/429513328.db2.gz YWTMIVVCHXNRTK-MPGHIAIKSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1[O-] ZINC000366775894 429513329 /nfs/dbraw/zinc/51/33/29/429513329.db2.gz YWTMIVVCHXNRTK-MPGHIAIKSA-N 0 3 305.418 2.859 20 10 DFCDHN COC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cc(OC)ccc2[O-])CC12CCC2 ZINC000367371710 429635284 /nfs/dbraw/zinc/63/52/84/429635284.db2.gz QUGXZSJQQBUTMZ-SWLSCSKDSA-N 0 3 319.401 2.737 20 10 DFCDHN COC(=O)[C@H]1C[N@H+]([C@@H](C)c2cc(OC)ccc2[O-])CC12CCC2 ZINC000367371710 429635286 /nfs/dbraw/zinc/63/52/86/429635286.db2.gz QUGXZSJQQBUTMZ-SWLSCSKDSA-N 0 3 319.401 2.737 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)[C@@]12CCCO2 ZINC000296280763 276355113 /nfs/dbraw/zinc/35/51/13/276355113.db2.gz CPHZKOPAESJQKG-SCNOPHJPSA-N 0 3 303.402 2.696 20 10 DFCDHN COCCn1cc2c(n1)[C@H](N[C@H](C)c1ccccc1O)CCC2 ZINC000368187398 429805099 /nfs/dbraw/zinc/80/50/99/429805099.db2.gz FWLXYNHLSFHXTM-CZUORRHYSA-N 0 3 315.417 2.963 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000368024782 429770719 /nfs/dbraw/zinc/77/07/19/429770719.db2.gz UUYUGMSWJJWERW-XZDPQHSOSA-N 0 3 302.418 2.962 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000368024782 429770724 /nfs/dbraw/zinc/77/07/24/429770724.db2.gz UUYUGMSWJJWERW-XZDPQHSOSA-N 0 3 302.418 2.962 20 10 DFCDHN C[C@]1(CNCc2ccc3c(c2)CCO3)COc2ccccc2O1 ZINC000527737540 429788605 /nfs/dbraw/zinc/78/86/05/429788605.db2.gz WABLQPMBGXRIOM-IBGZPJMESA-N 0 3 311.381 2.941 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c([O-])c1C ZINC000368325007 429831665 /nfs/dbraw/zinc/83/16/65/429831665.db2.gz WPVCWTXXWAVNEF-HRCADAONSA-N 0 3 304.434 2.523 20 10 DFCDHN CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000528004549 429835337 /nfs/dbraw/zinc/83/53/37/429835337.db2.gz RTCHSYKDSXZAPY-HZPDHXFCSA-N 0 3 308.381 2.796 20 10 DFCDHN CCn1ncc2c1CCC[C@@H]2NCc1cc2c(cc1O)OCO2 ZINC000368695030 429888915 /nfs/dbraw/zinc/88/89/15/429888915.db2.gz QTHHHYBEMOFKOH-ZDUSSCGKSA-N 0 3 315.373 2.505 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH+]2CCC(n3cccn3)CC2)c1 ZINC000368799046 429894979 /nfs/dbraw/zinc/89/49/79/429894979.db2.gz UOGYVAZPEDHSID-ZDUSSCGKSA-N 0 3 301.390 2.995 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000369051869 429909550 /nfs/dbraw/zinc/90/95/50/429909550.db2.gz PMLYYRNXHVJJNK-UHFFFAOYSA-N 0 3 315.392 2.947 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000369051869 429909551 /nfs/dbraw/zinc/90/95/51/429909551.db2.gz PMLYYRNXHVJJNK-UHFFFAOYSA-N 0 3 315.392 2.947 20 10 DFCDHN Cc1ccc(O)c(CN2CCCN(c3ncccc3F)CC2)c1 ZINC000369051869 429909552 /nfs/dbraw/zinc/90/95/52/429909552.db2.gz PMLYYRNXHVJJNK-UHFFFAOYSA-N 0 3 315.392 2.947 20 10 DFCDHN CC(C)c1cccc(N(C)C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)c1 ZINC000662536784 431109295 /nfs/dbraw/zinc/10/92/95/431109295.db2.gz ZYUKQZDKSFELLW-CQSZACIVSA-N 0 3 312.417 2.887 20 10 DFCDHN C[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc(Cl)ccc1[O-] ZINC000185115957 279467354 /nfs/dbraw/zinc/46/73/54/279467354.db2.gz GOTPLDKTCRDECI-LBPRGKRZSA-N 0 3 312.841 2.543 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000367667735 288167398 /nfs/dbraw/zinc/16/73/98/288167398.db2.gz CZRHCYOBGRXTOE-ZMSDIMECSA-N 0 3 304.434 2.638 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000367667735 288167402 /nfs/dbraw/zinc/16/74/02/288167402.db2.gz CZRHCYOBGRXTOE-ZMSDIMECSA-N 0 3 304.434 2.638 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c1[O-] ZINC000527805739 300694297 /nfs/dbraw/zinc/69/42/97/300694297.db2.gz HKVCKPCFPDLGIC-INIZCTEOSA-N 0 3 304.434 2.897 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c([O-])c1C ZINC000273432241 301710590 /nfs/dbraw/zinc/71/05/90/301710590.db2.gz WBFVPPOJCSBBMG-OAHLLOKOSA-N 0 3 306.450 2.770 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000297267945 335152359 /nfs/dbraw/zinc/15/23/59/335152359.db2.gz KMXBYRDCFIZTFG-JKSUJKDBSA-N 0 3 306.450 2.506 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1cc(F)ccc1[O-] ZINC000278886461 334103031 /nfs/dbraw/zinc/10/30/31/334103031.db2.gz DDDMOJSLTBCVJF-NVGCLXPQSA-N 0 3 319.380 2.693 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1[O-] ZINC000366927048 335372735 /nfs/dbraw/zinc/37/27/35/335372735.db2.gz VKJVZOYVKPRWGS-UKRRQHHQSA-N 0 3 308.809 2.501 20 10 DFCDHN CCCN1CCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352134264 336196277 /nfs/dbraw/zinc/19/62/77/336196277.db2.gz IKNSEJYZVZNZHK-QGZVFWFLSA-N 0 3 313.445 2.977 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)c1[O-] ZINC000367347811 336675641 /nfs/dbraw/zinc/67/56/41/336675641.db2.gz BHRQATMVZYANRS-KGLIPLIRSA-N 0 3 308.809 2.597 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000368164286 336839801 /nfs/dbraw/zinc/83/98/01/336839801.db2.gz TXIRIMKGKHJTBE-HNNXBMFYSA-N 0 3 305.418 2.718 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000368979112 336856030 /nfs/dbraw/zinc/85/60/30/336856030.db2.gz XRZSZMMPFRNQDK-HNNXBMFYSA-N 0 3 315.417 2.825 20 10 DFCDHN CCOC(=O)C1(C)CCN(Cc2cc(OCC)ccc2O)CC1 ZINC000371614480 336909063 /nfs/dbraw/zinc/90/90/63/336909063.db2.gz CQLQWAZUTAOWEI-UHFFFAOYSA-N 0 3 321.417 2.956 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2N2CCOCC2)c([O-])c1 ZINC000371870275 336915374 /nfs/dbraw/zinc/91/53/74/336915374.db2.gz OXWJLLLDYPOIDH-BQFCYCMXSA-N 0 3 318.461 2.852 20 10 DFCDHN COCc1nccc([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000375843550 337021098 /nfs/dbraw/zinc/02/10/98/337021098.db2.gz SYTCAKBGZAUNDJ-AWEZNQCLSA-N 0 3 313.401 2.708 20 10 DFCDHN COCc1nccc([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000375843550 337021099 /nfs/dbraw/zinc/02/10/99/337021099.db2.gz SYTCAKBGZAUNDJ-AWEZNQCLSA-N 0 3 313.401 2.708 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1[O-] ZINC000376147096 337028396 /nfs/dbraw/zinc/02/83/96/337028396.db2.gz YQPVYKGBSIEYHG-GJZGRUSLSA-N 0 3 317.433 2.723 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000376896176 337043463 /nfs/dbraw/zinc/04/34/63/337043463.db2.gz YXQQVVWGZMKYFZ-RRQGHBQHSA-N 0 3 322.424 2.825 20 10 DFCDHN Cn1cc(CNCc2ccc3c(c2)CCN3C)c(C(C)(C)C)n1 ZINC000376937451 337043801 /nfs/dbraw/zinc/04/38/01/337043801.db2.gz NIJQQEMRKOGNFA-UHFFFAOYSA-N 0 3 312.461 3.000 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1[O-] ZINC000378127993 337066838 /nfs/dbraw/zinc/06/68/38/337066838.db2.gz HHVOAQVWQNSIDN-INIZCTEOSA-N 0 3 313.825 2.895 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@](CO)(C(C)C)C2)c1[O-] ZINC000378127993 337066839 /nfs/dbraw/zinc/06/68/39/337066839.db2.gz HHVOAQVWQNSIDN-INIZCTEOSA-N 0 3 313.825 2.895 20 10 DFCDHN COc1ccc(N2CCC(N[C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000378401924 337071991 /nfs/dbraw/zinc/07/19/91/337071991.db2.gz KZXDZQOQLYWQEG-ZDUSSCGKSA-N 0 3 300.406 2.738 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378442458 337072830 /nfs/dbraw/zinc/07/28/30/337072830.db2.gz NVOZVXNFAWRUHH-DLBZAZTESA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378442458 337072831 /nfs/dbraw/zinc/07/28/31/337072831.db2.gz NVOZVXNFAWRUHH-DLBZAZTESA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378442461 337072858 /nfs/dbraw/zinc/07/28/58/337072858.db2.gz NVOZVXNFAWRUHH-SJORKVTESA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000378442461 337072859 /nfs/dbraw/zinc/07/28/59/337072859.db2.gz NVOZVXNFAWRUHH-SJORKVTESA-N 0 3 315.417 2.522 20 10 DFCDHN Cn1cc(N2CC[C@@H]([NH2+]Cc3c([O-])ccc4ccccc43)C2)cn1 ZINC000378477268 337073717 /nfs/dbraw/zinc/07/37/17/337073717.db2.gz SSMBRZIRCWLKJX-OAHLLOKOSA-N 0 3 322.412 2.647 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC(n3cncn3)CC2)c1[O-] ZINC000179902561 337172412 /nfs/dbraw/zinc/17/24/12/337172412.db2.gz PAPOADFSIKHJKU-UHFFFAOYSA-N 0 3 306.797 2.783 20 10 DFCDHN CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CC2 ZINC000183597461 337193692 /nfs/dbraw/zinc/19/36/92/337193692.db2.gz PBFXYBGNTCOXBW-OLZOCXBDSA-N 0 3 300.406 2.773 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)ccc1[O-] ZINC000185553418 337249034 /nfs/dbraw/zinc/24/90/34/337249034.db2.gz TYFOKIBKFPOAKW-OCCSQVGLSA-N 0 3 318.396 2.584 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)CC2 ZINC000527934551 337776934 /nfs/dbraw/zinc/77/69/34/337776934.db2.gz ROWZYZAORSPAPR-WCQYABFASA-N 0 3 311.307 2.969 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000528016716 337784011 /nfs/dbraw/zinc/78/40/11/337784011.db2.gz UQDLLPPJDOZCEJ-ZDUSSCGKSA-N 0 3 320.433 2.700 20 10 DFCDHN COC[C@]1([NH2+]Cc2cccc(C)c2[O-])COc2ccccc2C1 ZINC000529669149 340767462 /nfs/dbraw/zinc/76/74/62/340767462.db2.gz OUCAKHKBEQYWHB-IBGZPJMESA-N 0 3 313.397 2.811 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[O-] ZINC000129151194 518287264 /nfs/dbraw/zinc/28/72/64/518287264.db2.gz BZFXTLZLVUWSMC-DYVFJYSZSA-N 0 3 320.408 2.650 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[O-] ZINC000129151194 518287266 /nfs/dbraw/zinc/28/72/66/518287266.db2.gz BZFXTLZLVUWSMC-DYVFJYSZSA-N 0 3 320.408 2.650 20 10 DFCDHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179931739 519874086 /nfs/dbraw/zinc/87/40/86/519874086.db2.gz JLBAGCTWPOPBKB-CQSZACIVSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179931739 519874088 /nfs/dbraw/zinc/87/40/88/519874088.db2.gz JLBAGCTWPOPBKB-CQSZACIVSA-N 0 3 320.433 2.529 20 10 DFCDHN CCOCc1cc(CNCC(C)(C)C(=O)OC)ccc1OC ZINC000182227850 520184886 /nfs/dbraw/zinc/18/48/86/520184886.db2.gz BFGCKTIBFCKLKH-UHFFFAOYSA-N 0 3 309.406 2.521 20 10 DFCDHN CCCCOC[C@@H](O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000365033497 520797840 /nfs/dbraw/zinc/79/78/40/520797840.db2.gz IECVKEIGULIDJN-IBGZPJMESA-N 0 3 318.461 2.629 20 10 DFCDHN CN(C)c1ccc(C2=CCN(C[C@H](O)COC(C)(C)C)C2)cc1 ZINC000364965635 522157646 /nfs/dbraw/zinc/15/76/46/522157646.db2.gz BABOJDQUXCNAPV-SFHVURJKSA-N 0 3 318.461 2.628 20 10 DFCDHN CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180138729 522593583 /nfs/dbraw/zinc/59/35/83/522593583.db2.gz AMXKXWONHAPMQI-OAHLLOKOSA-N 0 3 315.417 2.997 20 10 DFCDHN CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180138729 522593585 /nfs/dbraw/zinc/59/35/85/522593585.db2.gz AMXKXWONHAPMQI-OAHLLOKOSA-N 0 3 315.417 2.997 20 10 DFCDHN CN(CCNCc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C ZINC000227760360 522868157 /nfs/dbraw/zinc/86/81/57/522868157.db2.gz YXLKGOAUYKOZCX-UHFFFAOYSA-N 0 3 306.406 2.578 20 10 DFCDHN CN1CC[C@@H](C[N@H+](C)Cc2cc(Br)ccc2[O-])C1 ZINC000156019304 523164014 /nfs/dbraw/zinc/16/40/14/523164014.db2.gz NXIRNJICHMLFHY-LLVKDONJSA-N 0 3 313.239 2.538 20 10 DFCDHN CN1CC[C@@H](C[N@@H+](C)Cc2cc(Br)ccc2[O-])C1 ZINC000156019304 523164027 /nfs/dbraw/zinc/16/40/27/523164027.db2.gz NXIRNJICHMLFHY-LLVKDONJSA-N 0 3 313.239 2.538 20 10 DFCDHN COCCO[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000188825136 524036854 /nfs/dbraw/zinc/03/68/54/524036854.db2.gz OQXLTQNVVRPSLU-IBGZPJMESA-N 0 3 318.461 2.914 20 10 DFCDHN Cc1cccc(CN[C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000182101758 524435670 /nfs/dbraw/zinc/43/56/70/524435670.db2.gz BFYGOBGVANBONT-KKSFZXQISA-N 0 3 303.427 2.910 20 10 DFCDHN Cc1cccc(CN[C@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000182101817 524441312 /nfs/dbraw/zinc/44/13/12/524441312.db2.gz BFYGOBGVANBONT-IIBYNOLFSA-N 0 3 303.427 2.910 20 10 DFCDHN C[C@@H]1CC[C@@H](CN(C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000188569092 524589706 /nfs/dbraw/zinc/58/97/06/524589706.db2.gz XLMZZUJTCMJBAD-QAPCUYQASA-N 0 3 304.434 2.523 20 10 DFCDHN C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000180145022 524693822 /nfs/dbraw/zinc/69/38/22/524693822.db2.gz CYZCUEOYQNBYFE-NSHDSACASA-N 0 3 312.385 2.876 20 10 DFCDHN C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000180145022 524693834 /nfs/dbraw/zinc/69/38/34/524693834.db2.gz CYZCUEOYQNBYFE-NSHDSACASA-N 0 3 312.385 2.876 20 10 DFCDHN COc1ccc(O)c(CN(CCO)Cc2ccc(C)cc2)c1 ZINC000180844589 524738007 /nfs/dbraw/zinc/73/80/07/524738007.db2.gz QKYVYGPVNGFWTQ-UHFFFAOYSA-N 0 3 301.386 2.704 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)c1 ZINC000191612077 524767075 /nfs/dbraw/zinc/76/70/75/524767075.db2.gz GBPFUNOHCGKGBX-GDBMZVCRSA-N 0 3 315.413 2.963 20 10 DFCDHN C[C@@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000191668160 525773805 /nfs/dbraw/zinc/77/38/05/525773805.db2.gz JNHZQYSPESPRSP-QGZVFWFLSA-N 0 3 307.390 2.542 20 10 DFCDHN O=C(C[NH2+]Cc1cc(F)ccc1[O-])N1CCCc2ccccc21 ZINC000180526665 526882252 /nfs/dbraw/zinc/88/22/52/526882252.db2.gz KQTAZJASCXJVCB-UHFFFAOYSA-N 0 3 314.360 2.600 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2[O-])[C@]12CCCO2 ZINC000273650487 535507382 /nfs/dbraw/zinc/50/73/82/535507382.db2.gz WLPGJQINCAIMGE-RCCFBDPRSA-N 0 3 305.418 2.825 20 10 DFCDHN CC[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000286260960 535807986 /nfs/dbraw/zinc/80/79/86/535807986.db2.gz VCVXAVNQBYGVMI-WMLDXEAASA-N 0 3 323.456 2.598 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286263379 536147968 /nfs/dbraw/zinc/14/79/68/536147968.db2.gz BBCHTKANBMTUJH-UKRRQHHQSA-N 0 3 316.367 2.745 20 10 DFCDHN CN(C)c1ccc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736817773 598401606 /nfs/dbraw/zinc/40/16/06/598401606.db2.gz JPKWYTJKVYDYPJ-UHFFFAOYSA-N 0 3 322.416 2.565 20 10 DFCDHN CN(C)c1ccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736817773 598401607 /nfs/dbraw/zinc/40/16/07/598401607.db2.gz JPKWYTJKVYDYPJ-UHFFFAOYSA-N 0 3 322.416 2.565 20 10 DFCDHN COc1cccc(CN2CCCN(c3nccs3)CC2)c1O ZINC000092482850 185321377 /nfs/dbraw/zinc/32/13/77/185321377.db2.gz OXNZELMRBGOTJE-UHFFFAOYSA-N 0 3 319.430 2.570 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000092643872 185330857 /nfs/dbraw/zinc/33/08/57/185330857.db2.gz SJIZOQZQXYQDKI-AWEZNQCLSA-N 0 3 307.390 2.566 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000092643872 185330858 /nfs/dbraw/zinc/33/08/58/185330858.db2.gz SJIZOQZQXYQDKI-AWEZNQCLSA-N 0 3 307.390 2.566 20 10 DFCDHN CCCN(Cc1cc(C(N)=O)cs1)Cc1ccccc1O ZINC000092705059 185334056 /nfs/dbraw/zinc/33/40/56/185334056.db2.gz FOCUOSJCAMOZGF-UHFFFAOYSA-N 0 3 304.415 2.965 20 10 DFCDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(N(C)C)cc1)CC2 ZINC000093613067 398641697 /nfs/dbraw/zinc/64/16/97/398641697.db2.gz HEDOOGVOUZXOON-QZTJIDSGSA-N 0 3 318.461 2.505 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1[O-] ZINC000370027883 398653705 /nfs/dbraw/zinc/65/37/05/398653705.db2.gz RJLMAKIEPMLRKJ-MRXNPFEDSA-N 0 3 320.408 2.794 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1 ZINC000093532257 193266852 /nfs/dbraw/zinc/26/68/52/193266852.db2.gz MKUXRVQPQAXYCN-UHFFFAOYSA-N 0 3 316.445 2.925 20 10 DFCDHN COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000272429644 130029159 /nfs/dbraw/zinc/02/91/59/130029159.db2.gz QEUZUPRSCNJNTF-WMLDXEAASA-N 0 3 307.390 2.612 20 10 DFCDHN COCCOCCC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273391081 130116201 /nfs/dbraw/zinc/11/62/01/130116201.db2.gz KRHASCLJAKSEOK-AWEZNQCLSA-N 0 3 307.434 2.975 20 10 DFCDHN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc2ccccc2c1[O-] ZINC000273435213 130120974 /nfs/dbraw/zinc/12/09/74/130120974.db2.gz WUJGOUGZHKEGIG-HOCLYGCPSA-N 0 3 314.429 2.653 20 10 DFCDHN COc1cc(N2CCN(CC3CCC3)CC2)cc(OC)c1OC ZINC000273539400 130133257 /nfs/dbraw/zinc/13/32/57/130133257.db2.gz AKRCZLUTTJKOSL-UHFFFAOYSA-N 0 3 320.433 2.635 20 10 DFCDHN COc1cc(Cl)cc(CN[C@@H]2CCCc3c[nH]nc32)c1O ZINC000273811696 130170445 /nfs/dbraw/zinc/17/04/45/130170445.db2.gz ZBFFALUOLZZEOT-GFCCVEGCSA-N 0 3 307.781 2.945 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]CCC(C)(C)O)c1[O-] ZINC000274926996 130275467 /nfs/dbraw/zinc/27/54/67/130275467.db2.gz NIFWWBHYUGRIJE-UHFFFAOYSA-N 0 3 302.212 2.714 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278428490 130691088 /nfs/dbraw/zinc/69/10/88/130691088.db2.gz JDSRYDCGMOTREG-HUUCEWRRSA-N 0 3 314.433 2.754 20 10 DFCDHN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(F)ccc1[O-] ZINC000285544621 131179570 /nfs/dbraw/zinc/17/95/70/131179570.db2.gz DMRZXAVRQRXMPB-NSHDSACASA-N 0 3 315.410 2.539 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cc(F)ccc1[O-] ZINC000285644006 131188948 /nfs/dbraw/zinc/18/89/48/131188948.db2.gz LCYLDWMVBQGEQO-OWRWGESLSA-N 0 3 308.397 2.875 20 10 DFCDHN C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289542456 131394745 /nfs/dbraw/zinc/39/47/45/131394745.db2.gz IBBJXAYQGWNJFZ-GXTWGEPZSA-N 0 3 307.390 2.636 20 10 DFCDHN C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289542456 131394747 /nfs/dbraw/zinc/39/47/47/131394747.db2.gz IBBJXAYQGWNJFZ-GXTWGEPZSA-N 0 3 307.390 2.636 20 10 DFCDHN C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289542463 131394856 /nfs/dbraw/zinc/39/48/56/131394856.db2.gz IBBJXAYQGWNJFZ-TZMCWYRMSA-N 0 3 307.390 2.636 20 10 DFCDHN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289542463 131394857 /nfs/dbraw/zinc/39/48/57/131394857.db2.gz IBBJXAYQGWNJFZ-TZMCWYRMSA-N 0 3 307.390 2.636 20 10 DFCDHN CNC(=O)CC[C@H]1CCCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000289578049 131398433 /nfs/dbraw/zinc/39/84/33/131398433.db2.gz JVZVLFLWAFTILC-OAHLLOKOSA-N 0 3 321.440 2.772 20 10 DFCDHN C[N@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000109772390 426033013 /nfs/dbraw/zinc/03/30/13/426033013.db2.gz BJVYPVPJTGPHJK-UHFFFAOYSA-N 0 3 324.380 2.510 20 10 DFCDHN C[N@@H+](CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1[O-] ZINC000109772390 426033015 /nfs/dbraw/zinc/03/30/15/426033015.db2.gz BJVYPVPJTGPHJK-UHFFFAOYSA-N 0 3 324.380 2.510 20 10 DFCDHN COc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000151451745 426296390 /nfs/dbraw/zinc/29/63/90/426296390.db2.gz MSUQQTGWNXIDGD-CJNGLKHVSA-N 0 3 309.431 2.545 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCN(C(C)C)C2=O)cc1 ZINC000089729446 426304733 /nfs/dbraw/zinc/30/47/33/426304733.db2.gz HFSLBYSKJRPURP-WMLDXEAASA-N 0 3 303.450 2.803 20 10 DFCDHN COc1ccc(N2CCCN(CC3=CCCOC3)CC2)cc1 ZINC000092380820 426349364 /nfs/dbraw/zinc/34/93/64/426349364.db2.gz ITOAIIPGHLDRDP-UHFFFAOYSA-N 0 3 302.418 2.554 20 10 DFCDHN CN(C)c1ccc(CN(C)C(=O)[C@H](C2CC2)N2CCCC2)cc1 ZINC000123024567 426410969 /nfs/dbraw/zinc/41/09/69/426410969.db2.gz HLKJAGHBYMIZIX-SFHVURJKSA-N 0 3 315.461 2.585 20 10 DFCDHN Cc1cc(O)c(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1C ZINC000123691575 426449539 /nfs/dbraw/zinc/44/95/39/426449539.db2.gz RHWPOAJFSCDCIS-JSGCOSHPSA-N 0 3 303.324 2.897 20 10 DFCDHN COc1cccc(CNC(=O)[C@@H](C(C)C)N2CCCCC2)c1O ZINC000155392822 426471372 /nfs/dbraw/zinc/47/13/72/426471372.db2.gz AUJZYPSSEJMUJC-MRXNPFEDSA-N 0 3 320.433 2.528 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2[O-])C12CCOCC2 ZINC000186456106 426530816 /nfs/dbraw/zinc/53/08/16/426530816.db2.gz MRVMWUILJSJDFF-JKSUJKDBSA-N 0 3 305.418 2.764 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1 ZINC000194936362 426495797 /nfs/dbraw/zinc/49/57/97/426495797.db2.gz NAAMUKMJVAIZHP-ZDUSSCGKSA-N 0 3 316.405 2.529 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1 ZINC000194936362 426495798 /nfs/dbraw/zinc/49/57/98/426495798.db2.gz NAAMUKMJVAIZHP-ZDUSSCGKSA-N 0 3 316.405 2.529 20 10 DFCDHN Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c([O-])c1O ZINC000177672479 426503592 /nfs/dbraw/zinc/50/35/92/426503592.db2.gz WVWWKXPNZAHTNP-AWEZNQCLSA-N 0 3 320.433 2.791 20 10 DFCDHN Cc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c([O-])c1O ZINC000177672479 426503596 /nfs/dbraw/zinc/50/35/96/426503596.db2.gz WVWWKXPNZAHTNP-AWEZNQCLSA-N 0 3 320.433 2.791 20 10 DFCDHN C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(N(C)C)cc1 ZINC000235157654 426657398 /nfs/dbraw/zinc/65/73/98/426657398.db2.gz MXQKDLCSFFCHIM-ZDUSSCGKSA-N 0 3 307.438 2.755 20 10 DFCDHN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(C)ccc2O)C1 ZINC000289750096 426672707 /nfs/dbraw/zinc/67/27/07/426672707.db2.gz QONJLAGABNPQNK-AWEZNQCLSA-N 0 3 317.307 2.628 20 10 DFCDHN COCc1ccccc1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000237176798 426690028 /nfs/dbraw/zinc/69/00/28/426690028.db2.gz GMTUWMLANMZMLO-UHFFFAOYSA-N 0 3 301.342 2.557 20 10 DFCDHN COCc1ccccc1CNCc1cc2c(cc1O)OCO2 ZINC000237176798 426690032 /nfs/dbraw/zinc/69/00/32/426690032.db2.gz GMTUWMLANMZMLO-UHFFFAOYSA-N 0 3 301.342 2.557 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)OCO2 ZINC000281296498 426709985 /nfs/dbraw/zinc/70/99/85/426709985.db2.gz PKXMAHCRDNPFRG-ZNMIVQPWSA-N 0 3 319.401 2.636 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)OCO2 ZINC000281296498 426709987 /nfs/dbraw/zinc/70/99/87/426709987.db2.gz PKXMAHCRDNPFRG-ZNMIVQPWSA-N 0 3 319.401 2.636 20 10 DFCDHN CC[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000281812093 426771175 /nfs/dbraw/zinc/77/11/75/426771175.db2.gz ZCKNEBMHJVATSQ-WMLDXEAASA-N 0 3 303.450 2.804 20 10 DFCDHN C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000245943312 426784788 /nfs/dbraw/zinc/78/47/88/426784788.db2.gz KCNJVBMIBYWIEG-JKIFEVAISA-N 0 3 322.424 2.605 20 10 DFCDHN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000245943312 426784792 /nfs/dbraw/zinc/78/47/92/426784792.db2.gz KCNJVBMIBYWIEG-JKIFEVAISA-N 0 3 322.424 2.605 20 10 DFCDHN COc1ccc(O)c(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 ZINC000281670624 426740221 /nfs/dbraw/zinc/74/02/21/426740221.db2.gz DHZNRATZMWKJFC-DOTOQJQBSA-N 0 3 317.360 2.848 20 10 DFCDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(OC)c1O ZINC000246124961 426801348 /nfs/dbraw/zinc/80/13/48/426801348.db2.gz ACRUJLXHPZRIHU-QEJZJMRPSA-N 0 3 319.401 2.707 20 10 DFCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179566367 426802462 /nfs/dbraw/zinc/80/24/62/426802462.db2.gz NLZILSDNSNUWEY-HOCLYGCPSA-N 0 3 304.434 2.909 20 10 DFCDHN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179566367 426802464 /nfs/dbraw/zinc/80/24/64/426802464.db2.gz NLZILSDNSNUWEY-HOCLYGCPSA-N 0 3 304.434 2.909 20 10 DFCDHN COc1ccccc1CN1CCN(Cc2ccccc2O)CC1 ZINC000179569522 426803181 /nfs/dbraw/zinc/80/31/81/426803181.db2.gz JGRGHLWAYUUIMS-UHFFFAOYSA-N 0 3 312.413 2.719 20 10 DFCDHN O=C(CC1CC[NH+](Cc2ccccc2[O-])CC1)N1CCCC1 ZINC000179561340 426803540 /nfs/dbraw/zinc/80/35/40/426803540.db2.gz FLHYCAKEUOXZRM-UHFFFAOYSA-N 0 3 302.418 2.617 20 10 DFCDHN C[NH+](C)C[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000179630728 426806784 /nfs/dbraw/zinc/80/67/84/426806784.db2.gz YMGLRVADWVLGBF-LLVKDONJSA-N 0 3 313.239 2.538 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)c1 ZINC000179670943 426811497 /nfs/dbraw/zinc/81/14/97/426811497.db2.gz WWTSMISAFOFKQC-CHWSQXEVSA-N 0 3 303.406 2.893 20 10 DFCDHN CCn1cnnc1C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000179458471 426790964 /nfs/dbraw/zinc/79/09/64/426790964.db2.gz LWXQUAFRBLYGBO-UHFFFAOYSA-N 0 3 313.449 2.744 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000179470567 426793647 /nfs/dbraw/zinc/79/36/47/426793647.db2.gz TUTYALFOUVIHDN-SFHVURJKSA-N 0 3 313.449 2.961 20 10 DFCDHN CCCOc1ccc(C[N@H+](C)CCCn2ccnc2)c([O-])c1 ZINC000290561200 426794048 /nfs/dbraw/zinc/79/40/48/426794048.db2.gz SIYBWVBRCXCFMZ-UHFFFAOYSA-N 0 3 303.406 2.900 20 10 DFCDHN CCCOc1ccc(C[N@@H+](C)CCCn2ccnc2)c([O-])c1 ZINC000290561200 426794049 /nfs/dbraw/zinc/79/40/49/426794049.db2.gz SIYBWVBRCXCFMZ-UHFFFAOYSA-N 0 3 303.406 2.900 20 10 DFCDHN CC[C@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])OC ZINC000290939392 426871387 /nfs/dbraw/zinc/87/13/87/426871387.db2.gz PTRORLPQIDPQSX-GFCCVEGCSA-N 0 3 302.212 2.978 20 10 DFCDHN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000291033038 426872366 /nfs/dbraw/zinc/87/23/66/426872366.db2.gz YRBKGAWKHPHYFH-NXEZZACHSA-N 0 3 302.212 2.976 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1[O-] ZINC000283171808 426968853 /nfs/dbraw/zinc/96/88/53/426968853.db2.gz ZDAUHYBQOVVABF-CYBMUJFWSA-N 0 3 321.808 2.955 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1 ZINC000282954398 426933506 /nfs/dbraw/zinc/93/35/06/426933506.db2.gz CEQHMNAQVMZYNG-RLFYNMQTSA-N 0 3 319.445 2.919 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1C ZINC000282923203 426934211 /nfs/dbraw/zinc/93/42/11/426934211.db2.gz WALWYLSSMTYRIL-QAPCUYQASA-N 0 3 319.445 2.666 20 10 DFCDHN CC[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccccc1[O-] ZINC000277046558 427131267 /nfs/dbraw/zinc/13/12/67/427131267.db2.gz GPTPRVBHVNUZCH-MRXNPFEDSA-N 0 3 312.417 2.892 20 10 DFCDHN COC[C@H](CCO)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000269007355 427144848 /nfs/dbraw/zinc/14/48/48/427144848.db2.gz LPQFSQBIMWEBBQ-HOCLYGCPSA-N 0 3 324.440 2.864 20 10 DFCDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000249785929 427146986 /nfs/dbraw/zinc/14/69/86/427146986.db2.gz RPQWJVXJLKXJQL-CABCVRRESA-N 0 3 319.449 2.654 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@H]2C)c1[O-] ZINC000277284768 427151068 /nfs/dbraw/zinc/15/10/68/427151068.db2.gz AFVUGQKFBKWRIU-ZWNOBZJWSA-N 0 3 314.223 2.978 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c1 ZINC000292871198 427205875 /nfs/dbraw/zinc/20/58/75/427205875.db2.gz WMNXOZJNOXTSEX-AWEZNQCLSA-N 0 3 316.376 2.908 20 10 DFCDHN CCOc1ccc(O)c(CN(C)CCNC(=O)OC(C)(C)C)c1 ZINC000296625336 427227991 /nfs/dbraw/zinc/22/79/91/427227991.db2.gz TZEYRYLHECUBEP-UHFFFAOYSA-N 0 3 324.421 2.747 20 10 DFCDHN Cc1cncc(/C=C\C(=O)N(CCN(C)C)c2ccccc2)c1 ZINC000255120618 427242868 /nfs/dbraw/zinc/24/28/68/427242868.db2.gz FMHVABYRSVLCAI-KTKRTIGZSA-N 0 3 309.413 2.998 20 10 DFCDHN C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1[O-] ZINC000183474932 427275178 /nfs/dbraw/zinc/27/51/78/427275178.db2.gz YFLOVARWVQBKQD-ZDUSSCGKSA-N 0 3 319.426 2.788 20 10 DFCDHN C[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1ccccc1[O-] ZINC000183474950 427275271 /nfs/dbraw/zinc/27/52/71/427275271.db2.gz YFLOVARWVQBKQD-CYBMUJFWSA-N 0 3 319.426 2.788 20 10 DFCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183610926 427303081 /nfs/dbraw/zinc/30/30/81/427303081.db2.gz NOQNQNNNACOPEO-ZDUSSCGKSA-N 0 3 302.374 2.764 20 10 DFCDHN NC(=O)[C@H]1CCCCN1Cc1cc(-c2ccccc2)ccc1O ZINC000271046154 427386339 /nfs/dbraw/zinc/38/63/39/427386339.db2.gz QZBCGLDINIFYAW-QGZVFWFLSA-N 0 3 310.397 2.899 20 10 DFCDHN CCCOc1ccc(C[NH+]2CCC3(CC2)OCCCO3)c([O-])c1 ZINC000293652025 427394362 /nfs/dbraw/zinc/39/43/62/427394362.db2.gz NALWEMCGMLLCKB-UHFFFAOYSA-N 0 3 321.417 2.910 20 10 DFCDHN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000270631831 427364793 /nfs/dbraw/zinc/36/47/93/427364793.db2.gz HTGRZVGBBYNXDV-MLGOLLRUSA-N 0 3 307.390 2.804 20 10 DFCDHN CCOc1ccc(O)c(CN[C@H](CC)[C@H](O)C(F)(F)F)c1 ZINC000270972503 427368201 /nfs/dbraw/zinc/36/82/01/427368201.db2.gz JRXYRPPAGRVTOS-YPMHNXCESA-N 0 3 307.312 2.582 20 10 DFCDHN CCOc1cccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000271252201 427468257 /nfs/dbraw/zinc/46/82/57/427468257.db2.gz XEVQQOPCMSJLNT-INIZCTEOSA-N 0 3 319.376 2.623 20 10 DFCDHN CCOC1CC(O)(C[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000278183153 427423089 /nfs/dbraw/zinc/42/30/89/427423089.db2.gz BRCFBXVHDVPIJK-ISWZSGDOSA-N 0 3 319.445 2.852 20 10 DFCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC000278306753 427428434 /nfs/dbraw/zinc/42/84/34/427428434.db2.gz DWTTVJYKJFXOEH-OCCSQVGLSA-N 0 3 306.406 2.737 20 10 DFCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC000278306753 427428438 /nfs/dbraw/zinc/42/84/38/427428438.db2.gz DWTTVJYKJFXOEH-OCCSQVGLSA-N 0 3 306.406 2.737 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278395256 427430090 /nfs/dbraw/zinc/43/00/90/427430090.db2.gz AYGNNQUBRQGFIT-AWEZNQCLSA-N 0 3 302.349 2.970 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278395256 427430095 /nfs/dbraw/zinc/43/00/95/427430095.db2.gz AYGNNQUBRQGFIT-AWEZNQCLSA-N 0 3 302.349 2.970 20 10 DFCDHN CCN(CC)c1ccc(CN[C@@H](COC)[C@H]2CCCO2)cc1 ZINC000278575974 427445710 /nfs/dbraw/zinc/44/57/10/427445710.db2.gz FEDIOTLYPYLBNW-ZWKOTPCHSA-N 0 3 306.450 2.816 20 10 DFCDHN CC(=O)Nc1ccc(CN[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000279069963 427546698 /nfs/dbraw/zinc/54/66/98/427546698.db2.gz LQGFJNGBACHJBE-CYBMUJFWSA-N 0 3 312.417 2.957 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1ccccc1[O-] ZINC000192812037 427616183 /nfs/dbraw/zinc/61/61/83/427616183.db2.gz MQONPHNCGQDWRW-HOCLYGCPSA-N 0 3 312.417 2.892 20 10 DFCDHN CCOC(=O)C[C@@](C)([NH2+]Cc1cccc(OC)c1[O-])C(C)C ZINC000185232657 427616655 /nfs/dbraw/zinc/61/66/55/427616655.db2.gz GPXPINIMHDXCDJ-QGZVFWFLSA-N 0 3 309.406 2.858 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)c1 ZINC000184915376 427564502 /nfs/dbraw/zinc/56/45/02/427564502.db2.gz PRIAIHOGZWBDMS-DOTOQJQBSA-N 0 3 306.450 2.708 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914279 427565073 /nfs/dbraw/zinc/56/50/73/427565073.db2.gz BOUKXHXHZDSNHY-XHSDSOJGSA-N 0 3 306.450 2.851 20 10 DFCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185130063 427599485 /nfs/dbraw/zinc/59/94/85/427599485.db2.gz RURUMGGFNBJRAJ-UKRRQHHQSA-N 0 3 319.376 2.930 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2ccc(CO)c(F)c2)c1 ZINC000185121616 427599967 /nfs/dbraw/zinc/59/99/67/427599967.db2.gz OFRFTZDJLFNSLA-NSHDSACASA-N 0 3 305.349 2.883 20 10 DFCDHN C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc2c(cc1[O-])CCCC2 ZINC000185332840 427635907 /nfs/dbraw/zinc/63/59/07/427635907.db2.gz MNTSJLOLWISJOC-CYBMUJFWSA-N 0 3 318.417 2.764 20 10 DFCDHN C[C@H]([NH2+]CCCN1CCOC1=O)c1cc2c(cc1[O-])CCCC2 ZINC000185332821 427637652 /nfs/dbraw/zinc/63/76/52/427637652.db2.gz MNTSJLOLWISJOC-ZDUSSCGKSA-N 0 3 318.417 2.764 20 10 DFCDHN Cc1cccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1O ZINC000294720109 427648299 /nfs/dbraw/zinc/64/82/99/427648299.db2.gz FJZQJJZOGPKTMH-UHFFFAOYSA-N 0 3 310.397 2.964 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c1 ZINC000185444018 427655897 /nfs/dbraw/zinc/65/58/97/427655897.db2.gz LTLGMEOPKBHXDX-AWEZNQCLSA-N 0 3 304.434 3.000 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294825161 427661749 /nfs/dbraw/zinc/66/17/49/427661749.db2.gz PIDSVZXRJOQTTN-CYBMUJFWSA-N 0 3 320.433 2.514 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294825161 427661754 /nfs/dbraw/zinc/66/17/54/427661754.db2.gz PIDSVZXRJOQTTN-CYBMUJFWSA-N 0 3 320.433 2.514 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]CCCCCO)c1[O-] ZINC000193161425 427673707 /nfs/dbraw/zinc/67/37/07/427673707.db2.gz SLFHHFFRASUPKS-UHFFFAOYSA-N 0 3 302.212 2.715 20 10 DFCDHN CC[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccc(C)cc1[O-] ZINC000280007370 427726189 /nfs/dbraw/zinc/72/61/89/427726189.db2.gz GLPQWZOSDXIADW-KRWDZBQOSA-N 0 3 306.450 2.588 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000186050751 427743603 /nfs/dbraw/zinc/74/36/03/427743603.db2.gz SRWQBQXFUVCIQT-GJZGRUSLSA-N 0 3 312.417 2.810 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1[O-] ZINC000186051554 427744212 /nfs/dbraw/zinc/74/42/12/427744212.db2.gz ZFLCEOAYXHCKMJ-TZMCWYRMSA-N 0 3 316.380 2.641 20 10 DFCDHN CCOc1cccc(CN2C[C@@H](CC)O[C@]3(CCOC3)C2)c1O ZINC000369540899 427995135 /nfs/dbraw/zinc/99/51/35/427995135.db2.gz LKYJAIFMWNKQBS-CRAIPNDOSA-N 0 3 321.417 2.561 20 10 DFCDHN CN(C)c1ccc(C2=CCN(CCO[C@H]3CCCCO3)C2)cc1 ZINC000369728740 428045628 /nfs/dbraw/zinc/04/56/28/428045628.db2.gz CUGDGLLADVQQQN-IBGZPJMESA-N 0 3 316.445 2.995 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1[O-] ZINC000370367561 428193029 /nfs/dbraw/zinc/19/30/29/428193029.db2.gz PTBBHCPHWLDUAA-MRXNPFEDSA-N 0 3 302.418 2.678 20 10 DFCDHN Cc1cccc(C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)c1[O-] ZINC000370367561 428193034 /nfs/dbraw/zinc/19/30/34/428193034.db2.gz PTBBHCPHWLDUAA-MRXNPFEDSA-N 0 3 302.418 2.678 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000372082276 428414254 /nfs/dbraw/zinc/41/42/54/428414254.db2.gz ZFXWAEWYSARCGG-IAGOWNOFSA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000372082276 428414259 /nfs/dbraw/zinc/41/42/59/428414259.db2.gz ZFXWAEWYSARCGG-IAGOWNOFSA-N 0 3 302.418 2.676 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000371862539 428406757 /nfs/dbraw/zinc/40/67/57/428406757.db2.gz CUDYWWCYPWQHDB-CYBMUJFWSA-N 0 3 321.417 2.800 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000371862539 428406762 /nfs/dbraw/zinc/40/67/62/428406762.db2.gz CUDYWWCYPWQHDB-CYBMUJFWSA-N 0 3 321.417 2.800 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1[O-] ZINC000372434101 428445730 /nfs/dbraw/zinc/44/57/30/428445730.db2.gz VYQOCPFCVUQUIO-UHFFFAOYSA-N 0 3 301.390 2.894 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000372500515 428455380 /nfs/dbraw/zinc/45/53/80/428455380.db2.gz CFRAAXOQMJLJNF-ZBFHGGJFSA-N 0 3 302.418 2.834 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000372500515 428455384 /nfs/dbraw/zinc/45/53/84/428455384.db2.gz CFRAAXOQMJLJNF-ZBFHGGJFSA-N 0 3 302.418 2.834 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N2CCN([C@H]3CCSC3)CC2)c1 ZINC000372595916 428472161 /nfs/dbraw/zinc/47/21/61/428472161.db2.gz BWNTUYHHDAGPMX-KGLIPLIRSA-N 0 3 322.474 2.585 20 10 DFCDHN CCCC(=O)N1CCCN([C@H](C)c2cc(OC)ccc2O)CC1 ZINC000372601347 428474943 /nfs/dbraw/zinc/47/49/43/428474943.db2.gz RXMZYVXKYCPFKR-CQSZACIVSA-N 0 3 320.433 2.796 20 10 DFCDHN CC[C@@H]1CN(Cc2cc(C)c(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000373492689 428591976 /nfs/dbraw/zinc/59/19/76/428591976.db2.gz FOPGJLJWRPFJNZ-SJLPKXTDSA-N 0 3 305.418 2.779 20 10 DFCDHN COc1ccc(O)c(CN2CC(C)(C)O[C@@]3(CCCOC3)C2)c1 ZINC000373608225 428617253 /nfs/dbraw/zinc/61/72/53/428617253.db2.gz IOZJXXQYPYKMPK-SFHVURJKSA-N 0 3 321.417 2.561 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCCN2Cc2ccc(N(C)C)cc2)n1 ZINC000374254984 428670606 /nfs/dbraw/zinc/67/06/06/428670606.db2.gz HVNFCMNBXOMZJU-SFHVURJKSA-N 0 3 313.449 2.626 20 10 DFCDHN O=C([C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2)N1CCCC1 ZINC000374810350 428756324 /nfs/dbraw/zinc/75/63/24/428756324.db2.gz VURWJSBWDYWCQP-INIZCTEOSA-N 0 3 314.429 2.617 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1C ZINC000362613564 428793988 /nfs/dbraw/zinc/79/39/88/428793988.db2.gz CHAZWBRMGPFUHN-KBMXLJTQSA-N 0 3 302.418 2.627 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1C ZINC000362613564 428793990 /nfs/dbraw/zinc/79/39/90/428793990.db2.gz CHAZWBRMGPFUHN-KBMXLJTQSA-N 0 3 302.418 2.627 20 10 DFCDHN C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2c([O-])ccc3ccccc32)CC1=O ZINC000363415900 428911763 /nfs/dbraw/zinc/91/17/63/428911763.db2.gz YUXQAOXKLXTYFY-MRRJBJDNSA-N 0 3 310.397 2.644 20 10 DFCDHN CCCC(=O)N1CCCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000363438836 428914297 /nfs/dbraw/zinc/91/42/97/428914297.db2.gz VBWILBUHUBNPOA-UHFFFAOYSA-N 0 3 304.434 2.843 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccnc(-n3cccn3)c2)c1 ZINC000363859165 428999864 /nfs/dbraw/zinc/99/98/64/428999864.db2.gz FAGMMZRQTOXNPG-ZDUSSCGKSA-N 0 3 324.384 2.832 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2ccnc(-n3cccn3)c2)c1 ZINC000363859165 428999867 /nfs/dbraw/zinc/99/98/67/428999867.db2.gz FAGMMZRQTOXNPG-ZDUSSCGKSA-N 0 3 324.384 2.832 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2ccnc(-n3cccn3)c2)c1 ZINC000363859163 429000242 /nfs/dbraw/zinc/00/02/42/429000242.db2.gz FAGMMZRQTOXNPG-CYBMUJFWSA-N 0 3 324.384 2.832 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2ccnc(-n3cccn3)c2)c1 ZINC000363859163 429000248 /nfs/dbraw/zinc/00/02/48/429000248.db2.gz FAGMMZRQTOXNPG-CYBMUJFWSA-N 0 3 324.384 2.832 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000364450668 429205261 /nfs/dbraw/zinc/20/52/61/429205261.db2.gz WMDNMZXHDBMFSA-IBGZPJMESA-N 0 3 308.381 2.796 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1 ZINC000364450668 429205264 /nfs/dbraw/zinc/20/52/64/429205264.db2.gz WMDNMZXHDBMFSA-IBGZPJMESA-N 0 3 308.381 2.796 20 10 DFCDHN COC(=O)[C@H]1C[N@@H+]([C@H](C)c2cc(OC)ccc2[O-])CC1(C)C ZINC000367315963 429620021 /nfs/dbraw/zinc/62/00/21/429620021.db2.gz BMRUKHLRXMMLEO-BXUZGUMPSA-N 0 3 307.390 2.593 20 10 DFCDHN COC(=O)[C@H]1C[N@H+]([C@H](C)c2cc(OC)ccc2[O-])CC1(C)C ZINC000367315963 429620026 /nfs/dbraw/zinc/62/00/26/429620026.db2.gz BMRUKHLRXMMLEO-BXUZGUMPSA-N 0 3 307.390 2.593 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)c1[O-] ZINC000367347813 429626520 /nfs/dbraw/zinc/62/65/20/429626520.db2.gz BHRQATMVZYANRS-ZIAGYGMSSA-N 0 3 308.809 2.597 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c([O-])c1C ZINC000367439162 429647695 /nfs/dbraw/zinc/64/76/95/429647695.db2.gz RXDCPNRGPWCYII-XGWLTEMNSA-N 0 3 302.418 2.717 20 10 DFCDHN COCCn1cc2c(n1)[C@H](N[C@@H](C)c1ccccc1O)CCC2 ZINC000368187399 429804989 /nfs/dbraw/zinc/80/49/89/429804989.db2.gz FWLXYNHLSFHXTM-XJKSGUPXSA-N 0 3 315.417 2.963 20 10 DFCDHN COc1cccc(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1[O-] ZINC000527735620 429789494 /nfs/dbraw/zinc/78/94/94/429789494.db2.gz PEYJFPOKQJSLLN-GOSISDBHSA-N 0 3 315.369 2.721 20 10 DFCDHN COc1cccc([C@H](C[NH2+]Cc2cccc(OC)c2[O-])OC)c1 ZINC000527737395 429789574 /nfs/dbraw/zinc/78/95/74/429789574.db2.gz NHWJMRWPOLZXSO-KRWDZBQOSA-N 0 3 317.385 2.887 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]Cc2ccc3cn(C)nc3c2)c1 ZINC000527762105 429793408 /nfs/dbraw/zinc/79/34/08/429793408.db2.gz JWKDMFZVCBZOCC-UHFFFAOYSA-N 0 3 311.385 2.967 20 10 DFCDHN CCOc1ccc(O)c(CNCc2ccc3cn(C)nc3c2)c1 ZINC000527762105 429793410 /nfs/dbraw/zinc/79/34/10/429793410.db2.gz JWKDMFZVCBZOCC-UHFFFAOYSA-N 0 3 311.385 2.967 20 10 DFCDHN CCOc1ccc(C[NH2+]Cc2ccc3cn(C)nc3c2)c([O-])c1 ZINC000527765005 429794336 /nfs/dbraw/zinc/79/43/36/429794336.db2.gz WWAQVEOQOQXROJ-UHFFFAOYSA-N 0 3 311.385 2.967 20 10 DFCDHN CC[C@H](c1ccccc1O)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000368567581 429867884 /nfs/dbraw/zinc/86/78/84/429867884.db2.gz NFOLWQPZTANXDA-OAGGEKHMSA-N 0 3 303.402 2.913 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000368568450 429867960 /nfs/dbraw/zinc/86/79/60/429867960.db2.gz QQOWNSDTCZUFGV-KGLIPLIRSA-N 0 3 321.417 2.732 20 10 DFCDHN CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2[O-])o1 ZINC000368678872 429886997 /nfs/dbraw/zinc/88/69/97/429886997.db2.gz VNBIDGRATUCENC-MRXNPFEDSA-N 0 3 314.385 2.958 20 10 DFCDHN CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2[O-])o1 ZINC000368678872 429886999 /nfs/dbraw/zinc/88/69/99/429886999.db2.gz VNBIDGRATUCENC-MRXNPFEDSA-N 0 3 314.385 2.958 20 10 DFCDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1C ZINC000369082050 429911874 /nfs/dbraw/zinc/91/18/74/429911874.db2.gz DDXVTVAWGNKPLQ-QAPCUYQASA-N 0 3 305.418 2.779 20 10 DFCDHN [O-]c1c(Br)cccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530178711 430101853 /nfs/dbraw/zinc/10/18/53/430101853.db2.gz MQYFGAXBNLIIQM-LBPRGKRZSA-N 0 3 311.223 2.529 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1[O-] ZINC000079414863 277106022 /nfs/dbraw/zinc/10/60/22/277106022.db2.gz NCVIFABVYBUQLE-MRXNPFEDSA-N 0 3 320.408 2.794 20 10 DFCDHN COc1ccc2c(c1)N(C(=O)c1cccc3c1CCNC3)CCC2 ZINC000662913643 431234873 /nfs/dbraw/zinc/23/48/73/431234873.db2.gz RSXXJGRTVMDMKA-UHFFFAOYSA-N 0 3 322.408 2.934 20 10 DFCDHN Cc1cccc(CN2CCNC(=O)C[C@H]2c2ccccc2)c1O ZINC000179784045 281216925 /nfs/dbraw/zinc/21/69/25/281216925.db2.gz NXBIFURDRPYSSV-KRWDZBQOSA-N 0 3 310.397 2.764 20 10 DFCDHN COc1cccc(C[NH2+]CCCn2cnc3ccccc32)c1[O-] ZINC000074335671 331671050 /nfs/dbraw/zinc/67/10/50/331671050.db2.gz SSORZYPOKQQNFC-UHFFFAOYSA-N 0 3 311.385 2.930 20 10 DFCDHN CN1C[C@@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1=O ZINC000293758196 335113050 /nfs/dbraw/zinc/11/30/50/335113050.db2.gz OSGZLBXIRZQGEY-WMZOPIPTSA-N 0 3 324.424 2.886 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1[O-] ZINC000176984827 332966806 /nfs/dbraw/zinc/96/68/06/332966806.db2.gz AOWLCTLZIMSMGX-GXTWGEPZSA-N 0 3 316.380 2.641 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1OC ZINC000294155114 335118777 /nfs/dbraw/zinc/11/87/77/335118777.db2.gz VQGMBQDBBBLRHC-GOSISDBHSA-N 0 3 323.433 2.640 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)cc1OC ZINC000294155114 335118779 /nfs/dbraw/zinc/11/87/79/335118779.db2.gz VQGMBQDBBBLRHC-GOSISDBHSA-N 0 3 323.433 2.640 20 10 DFCDHN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000294766846 335127278 /nfs/dbraw/zinc/12/72/78/335127278.db2.gz YVYZOHSQQQXIAV-GDBMZVCRSA-N 0 3 304.434 2.692 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[O-] ZINC000184703170 333364966 /nfs/dbraw/zinc/36/49/66/333364966.db2.gz RIARCGSRYMQMQH-DOMZBBRYSA-N 0 3 324.852 2.970 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[O-] ZINC000184703170 333364968 /nfs/dbraw/zinc/36/49/68/333364968.db2.gz RIARCGSRYMQMQH-DOMZBBRYSA-N 0 3 324.852 2.970 20 10 DFCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1c1ccccc1 ZINC000296275200 335143066 /nfs/dbraw/zinc/14/30/66/335143066.db2.gz CAIGPRJUZUPDGO-HOTGVXAUSA-N 0 3 308.381 2.775 20 10 DFCDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1Cc1ccccc1 ZINC000296964156 335150439 /nfs/dbraw/zinc/15/04/39/335150439.db2.gz RHQCJLJGXMDYMT-SJORKVTESA-N 0 3 322.408 2.770 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000297267935 335152384 /nfs/dbraw/zinc/15/23/84/335152384.db2.gz KMXBYRDCFIZTFG-HOTGVXAUSA-N 0 3 306.450 2.506 20 10 DFCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc(F)ccc1[O-] ZINC000273475386 334048054 /nfs/dbraw/zinc/04/80/54/334048054.db2.gz KPFDNMGAWRDXQJ-XZOAIXRZSA-N 0 3 322.424 2.560 20 10 DFCDHN CC[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(C)cc1[O-] ZINC000280193664 334114960 /nfs/dbraw/zinc/11/49/60/334114960.db2.gz SJUNNHAUBMDKNQ-DOTOQJQBSA-N 0 3 306.450 2.588 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c([O-])c1 ZINC000192810125 336263893 /nfs/dbraw/zinc/26/38/93/336263893.db2.gz VYFJJEGKLJMLOK-CABCVRRESA-N 0 3 312.417 2.810 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1OC ZINC000373370823 336958388 /nfs/dbraw/zinc/95/83/88/336958388.db2.gz SCLGBYXQFGJNKJ-ZWKOTPCHSA-N 0 3 321.417 2.704 20 10 DFCDHN CCc1nnc2n1C[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1[O-])CC2 ZINC000373848186 336974485 /nfs/dbraw/zinc/97/44/85/336974485.db2.gz BELKQKDXMVUIKI-DZGCQCFKSA-N 0 3 314.433 2.910 20 10 DFCDHN COc1cccc(CN2CCC(C)(c3nc(C)no3)CC2)c1O ZINC000374725634 336995872 /nfs/dbraw/zinc/99/58/72/336995872.db2.gz IFDCMEQMHRDBSH-UHFFFAOYSA-N 0 3 317.389 2.646 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1 ZINC000375267328 337006946 /nfs/dbraw/zinc/00/69/46/337006946.db2.gz PIKVVNKACFSCGS-UHFFFAOYSA-N 0 3 301.390 2.812 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1C ZINC000375420323 337010941 /nfs/dbraw/zinc/01/09/41/337010941.db2.gz SRPUBCJISWWCID-ZHALLVOQSA-N 0 3 319.445 2.761 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1C ZINC000375420323 337010942 /nfs/dbraw/zinc/01/09/42/337010942.db2.gz SRPUBCJISWWCID-ZHALLVOQSA-N 0 3 319.445 2.761 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(C)cc1[O-] ZINC000375661089 337015950 /nfs/dbraw/zinc/01/59/50/337015950.db2.gz BDEDXLIRUZWDOK-NUJGCVRESA-N 0 3 318.461 2.995 20 10 DFCDHN CN1CCc2cc(CN[C@]3(CO)CCc4ccccc43)ccc21 ZINC000305197579 337018254 /nfs/dbraw/zinc/01/82/54/337018254.db2.gz JIILYNHSIFPBJY-FQEVSTJZSA-N 0 3 308.425 2.603 20 10 DFCDHN C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1[O-] ZINC000376003570 337024986 /nfs/dbraw/zinc/02/49/86/337024986.db2.gz MZITZDRQURNNLX-ZNMIVQPWSA-N 0 3 302.418 2.834 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccccc1[O-] ZINC000376147098 337028354 /nfs/dbraw/zinc/02/83/54/337028354.db2.gz YQPVYKGBSIEYHG-HUUCEWRRSA-N 0 3 317.433 2.723 20 10 DFCDHN CC[C@H]1CN(Cc2cc(C)ccc2O)C[C@]2(CCCOC2)O1 ZINC000376444910 337033621 /nfs/dbraw/zinc/03/36/21/337033621.db2.gz XTFYKUJZIMSUMB-WMZOPIPTSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000376444910 337033622 /nfs/dbraw/zinc/03/36/22/337033622.db2.gz XTFYKUJZIMSUMB-WMZOPIPTSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000376444910 337033623 /nfs/dbraw/zinc/03/36/23/337033623.db2.gz XTFYKUJZIMSUMB-WMZOPIPTSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000377616794 337056477 /nfs/dbraw/zinc/05/64/77/337056477.db2.gz QVBBOFGXSZBTLX-LZLYRXPVSA-N 0 3 318.461 2.764 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H]1CN1CCC[C@@H]1CO ZINC000377616794 337056478 /nfs/dbraw/zinc/05/64/78/337056478.db2.gz QVBBOFGXSZBTLX-LZLYRXPVSA-N 0 3 318.461 2.764 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000377684885 337058286 /nfs/dbraw/zinc/05/82/86/337058286.db2.gz YPFCSYKDVVQCEZ-QAPCUYQASA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000377684885 337058287 /nfs/dbraw/zinc/05/82/87/337058287.db2.gz YPFCSYKDVVQCEZ-QAPCUYQASA-N 0 3 302.418 2.788 20 10 DFCDHN CCOc1cccc(C[N@H+](C)C[C@H]2CCn3ccnc3C2)c1[O-] ZINC000377857733 337062749 /nfs/dbraw/zinc/06/27/49/337062749.db2.gz UIEUPMQXODDEDP-AWEZNQCLSA-N 0 3 315.417 2.682 20 10 DFCDHN CCOc1cccc(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)c1[O-] ZINC000377857733 337062750 /nfs/dbraw/zinc/06/27/50/337062750.db2.gz UIEUPMQXODDEDP-AWEZNQCLSA-N 0 3 315.417 2.682 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c([O-])c1 ZINC000179468971 337169546 /nfs/dbraw/zinc/16/95/46/337169546.db2.gz VRENELJFBABITI-OAHLLOKOSA-N 0 3 316.405 2.610 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c([O-])c1 ZINC000179468971 337169547 /nfs/dbraw/zinc/16/95/47/337169547.db2.gz VRENELJFBABITI-OAHLLOKOSA-N 0 3 316.405 2.610 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccccc1[O-] ZINC000183552800 337192183 /nfs/dbraw/zinc/19/21/83/337192183.db2.gz CXHNAELIQSOMCL-OLZOCXBDSA-N 0 3 301.365 2.856 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1[O-] ZINC000184728628 337200153 /nfs/dbraw/zinc/20/01/53/337200153.db2.gz CMMLFKDOBSHMJV-CQSZACIVSA-N 0 3 315.417 2.589 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1[O-] ZINC000184728628 337200154 /nfs/dbraw/zinc/20/01/54/337200154.db2.gz CMMLFKDOBSHMJV-CQSZACIVSA-N 0 3 315.417 2.589 20 10 DFCDHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])CC2 ZINC000185995084 337252476 /nfs/dbraw/zinc/25/24/76/337252476.db2.gz VJUQVYCJZIXISJ-QWHCGFSZSA-N 0 3 300.406 2.520 20 10 DFCDHN CN1C(=O)C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1c1ccc(F)cc1 ZINC000120005119 337395349 /nfs/dbraw/zinc/39/53/49/337395349.db2.gz UISWYQSYUHMQHF-QAPCUYQASA-N 0 3 314.360 2.593 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(CCN3CCOCC3)CC2)c1 ZINC000359869424 337440149 /nfs/dbraw/zinc/44/01/49/337440149.db2.gz IEVXHVKAZPOBIU-UHFFFAOYSA-N 0 3 318.461 2.635 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2c2cccnn2)c([O-])c1 ZINC000359957266 337440899 /nfs/dbraw/zinc/44/08/99/337440899.db2.gz HCNZESRIFGEKQH-CABCVRRESA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1c2ccccc2n(C)c1CNC(=O)NC(C)(C)CN(C)C ZINC000458744827 339004569 /nfs/dbraw/zinc/00/45/69/339004569.db2.gz OXOILUUNBRCPEQ-UHFFFAOYSA-N 0 3 316.449 2.626 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCc3c2cnn3C)c1 ZINC000273419099 341635680 /nfs/dbraw/zinc/63/56/80/341635680.db2.gz RTYQTGIYXPZVFR-XHDPSFHLSA-N 0 3 301.390 2.863 20 10 DFCDHN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296225079 341716548 /nfs/dbraw/zinc/71/65/48/341716548.db2.gz AEHOLBBFKSTEGZ-YPMHNXCESA-N 0 3 306.406 2.882 20 10 DFCDHN CCOC[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000265058550 520091088 /nfs/dbraw/zinc/09/10/88/520091088.db2.gz YHCNCPOASDLSGK-SFHVURJKSA-N 0 3 306.450 2.506 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC)c([O-])c1 ZINC000179894269 520348134 /nfs/dbraw/zinc/34/81/34/520348134.db2.gz ZEXWTCLMWHJWBH-AWEZNQCLSA-N 0 3 307.390 2.709 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2CC(=O)OC)c([O-])c1 ZINC000179894269 520348141 /nfs/dbraw/zinc/34/81/41/520348141.db2.gz ZEXWTCLMWHJWBH-AWEZNQCLSA-N 0 3 307.390 2.709 20 10 DFCDHN CCOC(=O)CC1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000159086717 520614646 /nfs/dbraw/zinc/61/46/46/520614646.db2.gz LRJNSTWDTIKQIP-UHFFFAOYSA-N 0 3 307.390 2.566 20 10 DFCDHN CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179936011 520659827 /nfs/dbraw/zinc/65/98/27/520659827.db2.gz LSIYGDOPBZRNHR-CQSZACIVSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179936011 520659832 /nfs/dbraw/zinc/65/98/32/520659832.db2.gz LSIYGDOPBZRNHR-CQSZACIVSA-N 0 3 320.433 2.529 20 10 DFCDHN CCOc1ccc(O)c(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000265270515 521154836 /nfs/dbraw/zinc/15/48/36/521154836.db2.gz UFFGDMCJKZZECM-INIZCTEOSA-N 0 3 305.349 2.753 20 10 DFCDHN CCOc1cccc(CN[C@H](CO)c2ccc(F)cc2)c1O ZINC000265218318 521376090 /nfs/dbraw/zinc/37/60/90/521376090.db2.gz GAPNESNZPOWLDT-OAHLLOKOSA-N 0 3 305.349 2.753 20 10 DFCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C[C@H]1C ZINC000188101508 523715497 /nfs/dbraw/zinc/71/54/97/523715497.db2.gz DAKRWXYYWJLGJM-BXUZGUMPSA-N 0 3 311.809 2.985 20 10 DFCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C[C@H]1C ZINC000188101508 523715503 /nfs/dbraw/zinc/71/55/03/523715503.db2.gz DAKRWXYYWJLGJM-BXUZGUMPSA-N 0 3 311.809 2.985 20 10 DFCDHN CO[C@H](C)[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000191636222 523899445 /nfs/dbraw/zinc/89/94/45/523899445.db2.gz WPTUJFNZHBNBFX-BFHYXJOUSA-N 0 3 310.413 2.736 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1[O-] ZINC000180030850 524393981 /nfs/dbraw/zinc/39/39/81/524393981.db2.gz XXPHFOQEFJXDMV-UHFFFAOYSA-N 0 3 317.458 2.865 20 10 DFCDHN Cc1cccc(C[N@H+]2CCCN(Cc3cscn3)CC2)c1[O-] ZINC000180030850 524393991 /nfs/dbraw/zinc/39/39/91/524393991.db2.gz XXPHFOQEFJXDMV-UHFFFAOYSA-N 0 3 317.458 2.865 20 10 DFCDHN COc1ccc(O)c(CNC(C)(C)C(=O)NCC2CCCC2)c1 ZINC000182660456 524749686 /nfs/dbraw/zinc/74/96/86/524749686.db2.gz LTHJRPLURXSCME-UHFFFAOYSA-N 0 3 320.433 2.575 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC000190274727 524750890 /nfs/dbraw/zinc/75/08/90/524750890.db2.gz BNGCSDXSSMHWEL-GOSISDBHSA-N 0 3 301.386 2.788 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000182447928 524770927 /nfs/dbraw/zinc/77/09/27/524770927.db2.gz GYZUWOBAJZGPDY-SCLBCKFNSA-N 0 3 301.386 2.959 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c1[O-] ZINC000181200795 524872077 /nfs/dbraw/zinc/87/20/77/524872077.db2.gz VFQXFKSSCFBFAF-NSHDSACASA-N 0 3 322.792 2.742 20 10 DFCDHN COc1cccc(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)c1[O-] ZINC000365144387 526039119 /nfs/dbraw/zinc/03/91/19/526039119.db2.gz ZAFFYXGIEPJTHI-HNNXBMFYSA-N 0 3 315.417 2.825 20 10 DFCDHN Cc1cc(Br)cc(CN2CCC(C)(O)CC2)c1O ZINC000180285609 526157733 /nfs/dbraw/zinc/15/77/33/526157733.db2.gz VLVOTCAWFUOMIL-UHFFFAOYSA-N 0 3 314.223 2.810 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188750054 526349344 /nfs/dbraw/zinc/34/93/44/526349344.db2.gz KUSKRHYBCITCAX-UHFFFAOYSA-N 0 3 320.330 2.895 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CC[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000189661802 526372880 /nfs/dbraw/zinc/37/28/80/526372880.db2.gz YXUNJEKTUQWQII-SJORKVTESA-N 0 3 305.418 2.942 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CC[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000189661802 526372881 /nfs/dbraw/zinc/37/28/81/526372881.db2.gz YXUNJEKTUQWQII-SJORKVTESA-N 0 3 305.418 2.942 20 10 DFCDHN Nc1ccc(CC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000237914158 527478142 /nfs/dbraw/zinc/47/81/42/527478142.db2.gz UIVQFTWKNRCGGA-LJQANCHMSA-N 0 3 323.440 2.765 20 10 DFCDHN CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273414692 534945646 /nfs/dbraw/zinc/94/56/46/534945646.db2.gz QMDXCSXNXQPYFY-KBPBESRZSA-N 0 3 320.433 2.561 20 10 DFCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2[O-])C[C@H]1C ZINC000289450156 535563910 /nfs/dbraw/zinc/56/39/10/535563910.db2.gz NCPDANJGYYEPCM-VHDGCEQUSA-N 0 3 321.417 2.858 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000274380986 535752271 /nfs/dbraw/zinc/75/22/71/535752271.db2.gz JBHDLXXWQOTLDK-GFCCVEGCSA-N 0 3 324.421 2.794 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000284222454 535765056 /nfs/dbraw/zinc/76/50/56/535765056.db2.gz CWDITKUWEVEAJF-YXJHDRRASA-N 0 3 322.493 2.951 20 10 DFCDHN CC[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1ccccc1[O-] ZINC000274921013 535944547 /nfs/dbraw/zinc/94/45/47/535944547.db2.gz PBKFNYUHIKNPGJ-IEZWGBDMSA-N 0 3 315.413 2.918 20 10 DFCDHN CCCOc1ccc(CN(CC)Cc2cnn(C)c2)c(O)c1 ZINC000092438055 185318589 /nfs/dbraw/zinc/31/85/89/185318589.db2.gz UTXVQJZNMVCNQR-UHFFFAOYSA-N 0 3 303.406 2.937 20 10 DFCDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000092734027 185336889 /nfs/dbraw/zinc/33/68/89/185336889.db2.gz PQFZWMVNZWJIRL-HNNXBMFYSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OCC)c2[O-])C1 ZINC000092734027 185336890 /nfs/dbraw/zinc/33/68/90/185336890.db2.gz PQFZWMVNZWJIRL-HNNXBMFYSA-N 0 3 320.433 2.529 20 10 DFCDHN COc1cccc(C[NH+]2CCC(c3cnn(C)c3)CC2)c1[O-] ZINC000092808877 185342760 /nfs/dbraw/zinc/34/27/60/185342760.db2.gz IWZBTICOGFBUHJ-UHFFFAOYSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1[O-] ZINC000092810382 185342923 /nfs/dbraw/zinc/34/29/23/185342923.db2.gz IZFMEGXCOYJCLB-UHFFFAOYSA-N 0 3 315.417 2.904 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC(c3cnn(C)c3)CC2)c1[O-] ZINC000092808670 185342935 /nfs/dbraw/zinc/34/29/35/185342935.db2.gz OWUFVQVVPBMTLO-UHFFFAOYSA-N 0 3 315.417 2.904 20 10 DFCDHN CC[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(N(C)C)cc1 ZINC000089680119 398463826 /nfs/dbraw/zinc/46/38/26/398463826.db2.gz RHRSLPYFOARTKX-RBUKOAKNSA-N 0 3 317.477 2.657 20 10 DFCDHN C[C@@H](NC[C@@]1(O)CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000090849197 398494785 /nfs/dbraw/zinc/49/47/85/398494785.db2.gz UTEJQMAKXMNGMU-KDOFPFPSSA-N 0 3 322.424 2.618 20 10 DFCDHN C[C@H](NC[C@H]1CN2CCCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000090917692 398496883 /nfs/dbraw/zinc/49/68/83/398496883.db2.gz RUYSEBYIKFAGEP-IPELMVKDSA-N 0 3 317.477 2.657 20 10 DFCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000273481191 299273828 /nfs/dbraw/zinc/27/38/28/299273828.db2.gz MBAQNQVLMZUHPH-ZLIFDBKOSA-N 0 3 322.424 2.560 20 10 DFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2[O-])[C@@]12CCCO2 ZINC000273650485 535409357 /nfs/dbraw/zinc/40/93/57/535409357.db2.gz WLPGJQINCAIMGE-KURKYZTESA-N 0 3 305.418 2.825 20 10 DFCDHN C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000281027572 299302324 /nfs/dbraw/zinc/30/23/24/299302324.db2.gz ZWGXJGRIZAXMQY-XKQJLSEDSA-N 0 3 319.445 2.567 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC)CC3)c1 ZINC000091892904 193123322 /nfs/dbraw/zinc/12/33/22/193123322.db2.gz WCUHILNMYULDOF-CVEARBPZSA-N 0 3 304.434 2.850 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2[C@@H]3CC[C@H]2CN(CC)CC3)c1 ZINC000091892904 193123323 /nfs/dbraw/zinc/12/33/23/193123323.db2.gz WCUHILNMYULDOF-CVEARBPZSA-N 0 3 304.434 2.850 20 10 DFCDHN CCCOc1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)c([O-])c1 ZINC000092253792 193181410 /nfs/dbraw/zinc/18/14/10/193181410.db2.gz UJZRXEDSLVQWOB-HNNXBMFYSA-N 0 3 306.450 2.955 20 10 DFCDHN CCCOc1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c([O-])c1 ZINC000092253792 193181413 /nfs/dbraw/zinc/18/14/13/193181413.db2.gz UJZRXEDSLVQWOB-HNNXBMFYSA-N 0 3 306.450 2.955 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(OCCCOC)CC2)c1 ZINC000093561561 193268359 /nfs/dbraw/zinc/26/83/59/193268359.db2.gz UGFNDKBZFOGEEV-UHFFFAOYSA-N 0 3 323.433 2.808 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000273391979 130115820 /nfs/dbraw/zinc/11/58/20/130115820.db2.gz LAJQLBRXPJCBLC-UONOGXRCSA-N 0 3 320.433 2.561 20 10 DFCDHN C[C@@H](NC[C@@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273426717 130120375 /nfs/dbraw/zinc/12/03/75/130120375.db2.gz ULMDNTOSBCUDEQ-YMTOWFKASA-N 0 3 303.324 2.845 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c([O-])c1 ZINC000273476761 130126584 /nfs/dbraw/zinc/12/65/84/130126584.db2.gz KYWAZBXIRGGEGC-YXJHDRRASA-N 0 3 315.413 2.836 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c([O-])c1C ZINC000273568775 130138229 /nfs/dbraw/zinc/13/82/29/130138229.db2.gz KFVOMTBDDHCKAX-HNNXBMFYSA-N 0 3 306.450 2.770 20 10 DFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F ZINC000273976027 130193553 /nfs/dbraw/zinc/19/35/53/130193553.db2.gz TWHRORQGUBAIFR-AWEZNQCLSA-N 0 3 304.356 2.886 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])[C@@]12CCCO2 ZINC000274184166 130213922 /nfs/dbraw/zinc/21/39/22/130213922.db2.gz JCUGWPHBNUJCQG-BEMMVCDISA-N 0 3 309.381 2.909 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1[O-] ZINC000283171809 130966595 /nfs/dbraw/zinc/96/65/95/130966595.db2.gz ZDAUHYBQOVVABF-ZDUSSCGKSA-N 0 3 321.808 2.955 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c([O-])c1C ZINC000284368497 131074249 /nfs/dbraw/zinc/07/42/49/131074249.db2.gz ODIPSDXSQLJKFU-DZKIICNBSA-N 0 3 309.450 2.818 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000284954602 131125947 /nfs/dbraw/zinc/12/59/47/131125947.db2.gz HRROIEXVLLXDNF-ZIAGYGMSSA-N 0 3 315.841 2.602 20 10 DFCDHN Cc1cccc(CCC[NH2+]Cc2cc3c(cc2[O-])OCO3)n1 ZINC000285763580 131201060 /nfs/dbraw/zinc/20/10/60/131201060.db2.gz ZPFCBIFMKDLHHQ-UHFFFAOYSA-N 0 3 300.358 2.547 20 10 DFCDHN COc1ccc(N(C[C@H](O)CN(C)C2CC2)C(C)C)cc1F ZINC000289352906 131376641 /nfs/dbraw/zinc/37/66/41/131376641.db2.gz LLFCOLQUPCSKJD-OAHLLOKOSA-N 0 3 310.413 2.504 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCCc3nn(C)cc32)c1 ZINC000282312113 286339253 /nfs/dbraw/zinc/33/92/53/286339253.db2.gz DNOBDWJIOPMJHJ-XHDPSFHLSA-N 0 3 301.390 2.863 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C12CCOCC2 ZINC000296459091 286399587 /nfs/dbraw/zinc/39/95/87/286399587.db2.gz NSOLWTRELUZFJD-HYVNUMGLSA-N 0 3 317.429 2.943 20 10 DFCDHN CCCN(CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000069009958 425926988 /nfs/dbraw/zinc/92/69/88/425926988.db2.gz RYGIWMNZHWFNFD-UHFFFAOYSA-N 0 3 302.374 2.514 20 10 DFCDHN CCN1CCCC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000104136373 425958516 /nfs/dbraw/zinc/95/85/16/425958516.db2.gz ISZCPHSNJQLFHI-KRWDZBQOSA-N 0 3 303.450 2.585 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCN(C(C)C)C2=O)cc1 ZINC000089729445 426304640 /nfs/dbraw/zinc/30/46/40/426304640.db2.gz HFSLBYSKJRPURP-RHSMWYFYSA-N 0 3 303.450 2.803 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1[O-] ZINC000175678892 426321611 /nfs/dbraw/zinc/32/16/11/426321611.db2.gz PMZKAAWUXOXYLG-ZDUSSCGKSA-N 0 3 308.397 2.508 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1[O-] ZINC000175678892 426321613 /nfs/dbraw/zinc/32/16/13/426321613.db2.gz PMZKAAWUXOXYLG-ZDUSSCGKSA-N 0 3 308.397 2.508 20 10 DFCDHN C[C@H](NCc1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151081713 426276135 /nfs/dbraw/zinc/27/61/35/426276135.db2.gz WJUDQFATHQZGDJ-AWEZNQCLSA-N 0 3 315.392 2.908 20 10 DFCDHN CCCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([O-])c1 ZINC000093479840 426356777 /nfs/dbraw/zinc/35/67/77/426356777.db2.gz QTYYYPDIVADSAD-MVVMVCHASA-N 0 3 305.418 2.774 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([O-])c1 ZINC000093479840 426356780 /nfs/dbraw/zinc/35/67/80/426356780.db2.gz QTYYYPDIVADSAD-MVVMVCHASA-N 0 3 305.418 2.774 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC(CC(=O)NC)CC2)cc1 ZINC000093588597 426356838 /nfs/dbraw/zinc/35/68/38/426356838.db2.gz GYNONAFGAXOZOW-UHFFFAOYSA-N 0 3 317.477 2.881 20 10 DFCDHN CC[C@H](COC)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152976643 426364063 /nfs/dbraw/zinc/36/40/63/426364063.db2.gz ZLJOLJIQLJCEDR-DZGCQCFKSA-N 0 3 310.413 2.738 20 10 DFCDHN CN(CCOc1ccccc1F)Cc1cc2c(cc1O)OCO2 ZINC000153391853 426384194 /nfs/dbraw/zinc/38/41/94/426384194.db2.gz JPPFSJSWDPOROL-UHFFFAOYSA-N 0 3 319.332 2.771 20 10 DFCDHN C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1[O-] ZINC000154005987 426418671 /nfs/dbraw/zinc/41/86/71/426418671.db2.gz SZYWAVMQCLLHLE-ZDUSSCGKSA-N 0 3 300.406 2.603 20 10 DFCDHN Cc1cncc(/C=C/C(=O)N(CCN(C)C)c2ccccc2)c1 ZINC000123785115 426452380 /nfs/dbraw/zinc/45/23/80/426452380.db2.gz FMHVABYRSVLCAI-MDZDMXLPSA-N 0 3 309.413 2.998 20 10 DFCDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186356352 426512003 /nfs/dbraw/zinc/51/20/03/426512003.db2.gz ZMOYUBFWIVVBMQ-HOCLYGCPSA-N 0 3 322.449 2.529 20 10 DFCDHN CCOC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000186462835 426531715 /nfs/dbraw/zinc/53/17/15/426531715.db2.gz UEBKXQZSVQMVNG-ZFWWWQNUSA-N 0 3 305.422 2.634 20 10 DFCDHN CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2[O-])C12CCOCC2 ZINC000186456123 426531851 /nfs/dbraw/zinc/53/18/51/426531851.db2.gz MRVMWUILJSJDFF-HOTGVXAUSA-N 0 3 305.418 2.764 20 10 DFCDHN CC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc(C)cc1[O-] ZINC000280251919 426532019 /nfs/dbraw/zinc/53/20/19/426532019.db2.gz WSCZSMHGHLAAQP-AWEZNQCLSA-N 0 3 313.463 2.955 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194943831 426496738 /nfs/dbraw/zinc/49/67/38/426496738.db2.gz RCHGTUCZFWHQIT-AWEZNQCLSA-N 0 3 316.405 2.529 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194943831 426496741 /nfs/dbraw/zinc/49/67/41/426496741.db2.gz RCHGTUCZFWHQIT-AWEZNQCLSA-N 0 3 316.405 2.529 20 10 DFCDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000280400516 426566575 /nfs/dbraw/zinc/56/65/75/426566575.db2.gz XSDPSLZUDRXRGX-KUHUBIRLSA-N 0 3 313.397 2.925 20 10 DFCDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000280400516 426566577 /nfs/dbraw/zinc/56/65/77/426566577.db2.gz XSDPSLZUDRXRGX-KUHUBIRLSA-N 0 3 313.397 2.925 20 10 DFCDHN CCOc1cccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280404335 426568542 /nfs/dbraw/zinc/56/85/42/426568542.db2.gz YBEZTJFYZYBGMY-SFHVURJKSA-N 0 3 321.417 2.561 20 10 DFCDHN CCOc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000280411672 426570946 /nfs/dbraw/zinc/57/09/46/426570946.db2.gz HYRZHUSCEQYYPE-PMUMKWKESA-N 0 3 321.417 2.559 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000224893756 426595922 /nfs/dbraw/zinc/59/59/22/426595922.db2.gz PBNXTDHYUAOQOZ-UHFFFAOYSA-N 0 3 324.421 2.794 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(Cn3cncn3)CC2)cc1C ZINC000186909695 426607588 /nfs/dbraw/zinc/60/75/88/426607588.db2.gz YJYDLXCLDWGCQP-UHFFFAOYSA-N 0 3 300.406 2.513 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2ccccc2)c1[O-] ZINC000289664537 426670449 /nfs/dbraw/zinc/67/04/49/426670449.db2.gz DBAQRMFJAHTAOD-OAHLLOKOSA-N 0 3 321.804 2.747 20 10 DFCDHN CC(C)C(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000289725694 426672192 /nfs/dbraw/zinc/67/21/92/426672192.db2.gz GKAISEWEILCCBL-INIZCTEOSA-N 0 3 305.418 2.988 20 10 DFCDHN CC(C)C(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000289725694 426672199 /nfs/dbraw/zinc/67/21/99/426672199.db2.gz GKAISEWEILCCBL-INIZCTEOSA-N 0 3 305.418 2.988 20 10 DFCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000280878610 426676055 /nfs/dbraw/zinc/67/60/55/426676055.db2.gz ASBXSSYJPJRCQT-UPJWGTAASA-N 0 3 307.390 2.783 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1[O-] ZINC000289923548 426676797 /nfs/dbraw/zinc/67/67/97/426676797.db2.gz XQNDJYCIPHMZSX-AWEZNQCLSA-N 0 3 303.324 2.980 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1[O-] ZINC000289923548 426676801 /nfs/dbraw/zinc/67/68/01/426676801.db2.gz XQNDJYCIPHMZSX-AWEZNQCLSA-N 0 3 303.324 2.980 20 10 DFCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000280878613 426676972 /nfs/dbraw/zinc/67/69/72/426676972.db2.gz ASBXSSYJPJRCQT-XQQFMLRXSA-N 0 3 307.390 2.783 20 10 DFCDHN CC[C@@H](C[NH2+]Cc1cccc(OC)c1[O-])NC(=O)OC(C)(C)C ZINC000227719390 426630394 /nfs/dbraw/zinc/63/03/94/426630394.db2.gz PTDJREVAZZUNJH-ZDUSSCGKSA-N 0 3 324.421 2.794 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000273576808 426690662 /nfs/dbraw/zinc/69/06/62/426690662.db2.gz LXPHLEVGXZXEMC-MELADBBJSA-N 0 3 320.433 2.698 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)c1[O-] ZINC000273699563 426710589 /nfs/dbraw/zinc/71/05/89/426710589.db2.gz CZKHZHSHBMJERQ-BXUZGUMPSA-N 0 3 310.825 2.580 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1[O-] ZINC000273699563 426710590 /nfs/dbraw/zinc/71/05/90/426710590.db2.gz CZKHZHSHBMJERQ-BXUZGUMPSA-N 0 3 310.825 2.580 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1OC ZINC000290486958 426775320 /nfs/dbraw/zinc/77/53/20/426775320.db2.gz OKQKSGBGTHVKGR-GDIGMMSISA-N 0 3 311.381 2.837 20 10 DFCDHN COCC[C@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000281565688 426722985 /nfs/dbraw/zinc/72/29/85/426722985.db2.gz KBIPIMHOACWULL-GOEBONIOSA-N 0 3 324.440 2.864 20 10 DFCDHN CC[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000290259904 426726693 /nfs/dbraw/zinc/72/66/93/426726693.db2.gz VBGPVYMIHGDKGD-DZGCQCFKSA-N 0 3 310.413 2.738 20 10 DFCDHN CN(C)CCN(C(=O)/C=C/c1cncs1)c1ccccc1 ZINC000281660778 426737240 /nfs/dbraw/zinc/73/72/40/426737240.db2.gz OQBRWSIVXATINI-CMDGGOBGSA-N 0 3 301.415 2.751 20 10 DFCDHN C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000290322770 426740877 /nfs/dbraw/zinc/74/08/77/426740877.db2.gz OKEUAYJXLIAWIQ-IRWQIABSSA-N 0 3 312.413 2.898 20 10 DFCDHN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccccc2O)CC1 ZINC000179554474 426800216 /nfs/dbraw/zinc/80/02/16/426800216.db2.gz CBNPJSQAXSDBEF-UHFFFAOYSA-N 0 3 323.396 2.872 20 10 DFCDHN COc1ccc(O)c(CN(C)Cc2ccc(OC)c(O)c2)c1 ZINC000179832403 426820472 /nfs/dbraw/zinc/82/04/72/426820472.db2.gz JNNYLYZNXKFDNS-UHFFFAOYSA-N 0 3 303.358 2.747 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000179470578 426791402 /nfs/dbraw/zinc/79/14/02/426791402.db2.gz TUTYALFOUVIHDN-GOSISDBHSA-N 0 3 313.449 2.961 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000291001141 426872198 /nfs/dbraw/zinc/87/21/98/426872198.db2.gz AWWOIMMGTJZYEJ-MJGOQNOKSA-N 0 3 313.397 2.657 20 10 DFCDHN CCCOc1ccc(CN2CCC(F)(F)[C@H](CO)C2)c(O)c1 ZINC000291162134 426877397 /nfs/dbraw/zinc/87/73/97/426877397.db2.gz CPVICPPQJCTLLF-ZDUSSCGKSA-N 0 3 315.360 2.631 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCCc3nn(C)cc32)c1 ZINC000282312110 426879772 /nfs/dbraw/zinc/87/97/72/426879772.db2.gz DNOBDWJIOPMJHJ-ABAIWWIYSA-N 0 3 301.390 2.863 20 10 DFCDHN C[C@@H](CC(N)=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000282860814 426930953 /nfs/dbraw/zinc/93/09/53/426930953.db2.gz UPIRGKFMRKGHMM-OLZOCXBDSA-N 0 3 323.868 2.930 20 10 DFCDHN CCNC(=O)c1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000295824161 427019173 /nfs/dbraw/zinc/01/91/73/427019173.db2.gz DONPMXVDKPXBKA-MRXNPFEDSA-N 0 3 310.397 2.919 20 10 DFCDHN COc1cc(O)c(CN2CCOC[C@@H](C3CCC3)C2)cc1OC ZINC000292064971 427074063 /nfs/dbraw/zinc/07/40/63/427074063.db2.gz KIZSGLNICNYLQA-HNNXBMFYSA-N 0 3 321.417 2.658 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1OC ZINC000292064971 427074065 /nfs/dbraw/zinc/07/40/65/427074065.db2.gz KIZSGLNICNYLQA-HNNXBMFYSA-N 0 3 321.417 2.658 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1OC ZINC000292064971 427074073 /nfs/dbraw/zinc/07/40/73/427074073.db2.gz KIZSGLNICNYLQA-HNNXBMFYSA-N 0 3 321.417 2.658 20 10 DFCDHN COCCOC1(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CCOCC1 ZINC000296265140 427130113 /nfs/dbraw/zinc/13/01/13/427130113.db2.gz DKGQQDKCKZXGMK-HNNXBMFYSA-N 0 3 323.433 2.563 20 10 DFCDHN COC[C@@H](CCO)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269015760 427144707 /nfs/dbraw/zinc/14/47/07/427144707.db2.gz ODNUYPBRIWRLOT-NVXWUHKLSA-N 0 3 306.450 2.725 20 10 DFCDHN COc1ccc(N2CCN(CCC3CCOCC3)CC2)cc1F ZINC000292676297 427196823 /nfs/dbraw/zinc/19/68/23/427196823.db2.gz QUXUMGKZLJWFAJ-UHFFFAOYSA-N 0 3 322.424 2.773 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000292871201 427204174 /nfs/dbraw/zinc/20/41/74/427204174.db2.gz WMNXOZJNOXTSEX-CQSZACIVSA-N 0 3 316.376 2.908 20 10 DFCDHN Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000269647612 427240644 /nfs/dbraw/zinc/24/06/44/427240644.db2.gz PTIBGGFEWQJTQD-QGZVFWFLSA-N 0 3 315.413 2.881 20 10 DFCDHN Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000269647612 427240649 /nfs/dbraw/zinc/24/06/49/427240649.db2.gz PTIBGGFEWQJTQD-QGZVFWFLSA-N 0 3 315.413 2.881 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000183348987 427250448 /nfs/dbraw/zinc/25/04/48/427250448.db2.gz YRSALZLVDIKMKP-NEPJUHHUSA-N 0 3 316.323 2.596 20 10 DFCDHN COc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000270232126 427321457 /nfs/dbraw/zinc/32/14/57/427321457.db2.gz AQVVBHIQVAAZMP-KRWDZBQOSA-N 0 3 305.349 2.537 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c([O-])c1 ZINC000293596127 427377223 /nfs/dbraw/zinc/37/72/23/427377223.db2.gz FSZFZNASDWVRGI-HNNXBMFYSA-N 0 3 306.450 2.770 20 10 DFCDHN COC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271058984 427392719 /nfs/dbraw/zinc/39/27/19/427392719.db2.gz BTBWVWBFNKCBFO-INIZCTEOSA-N 0 3 302.418 2.672 20 10 DFCDHN Cc1ccc(O)c(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000271077721 427398545 /nfs/dbraw/zinc/39/85/45/427398545.db2.gz HSARPIUAHQVNLL-UHFFFAOYSA-N 0 3 310.397 2.964 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000271077721 427398552 /nfs/dbraw/zinc/39/85/52/427398552.db2.gz HSARPIUAHQVNLL-UHFFFAOYSA-N 0 3 310.397 2.964 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000271077721 427398553 /nfs/dbraw/zinc/39/85/53/427398553.db2.gz HSARPIUAHQVNLL-UHFFFAOYSA-N 0 3 310.397 2.964 20 10 DFCDHN CCCOc1ccc(C[NH+]2CCC(CNC(C)=O)CC2)c([O-])c1 ZINC000271125274 427411506 /nfs/dbraw/zinc/41/15/06/427411506.db2.gz HANRLTWIZLBTJQ-UHFFFAOYSA-N 0 3 320.433 2.529 20 10 DFCDHN CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000271259757 427470740 /nfs/dbraw/zinc/47/07/40/427470740.db2.gz JJAIVMFMNNSXNN-AWEZNQCLSA-N 0 3 306.406 2.833 20 10 DFCDHN CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000271259757 427470746 /nfs/dbraw/zinc/47/07/46/427470746.db2.gz JJAIVMFMNNSXNN-AWEZNQCLSA-N 0 3 306.406 2.833 20 10 DFCDHN C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@H](C)O1 ZINC000297869521 427471229 /nfs/dbraw/zinc/47/12/29/427471229.db2.gz UNQYCRSJSOGMKH-HLLBOEOZSA-N 0 3 318.461 2.859 20 10 DFCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000278306746 427426462 /nfs/dbraw/zinc/42/64/62/427426462.db2.gz DWTTVJYKJFXOEH-GXTWGEPZSA-N 0 3 306.406 2.737 20 10 DFCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000278306746 427426474 /nfs/dbraw/zinc/42/64/74/427426474.db2.gz DWTTVJYKJFXOEH-GXTWGEPZSA-N 0 3 306.406 2.737 20 10 DFCDHN Cc1ccc(CN2CC[C@@H](NCc3cccc(C)c3O)C2=O)cc1 ZINC000191808641 427430057 /nfs/dbraw/zinc/43/00/57/427430057.db2.gz YHZGNYPSGLSZJS-GOSISDBHSA-N 0 3 324.424 2.900 20 10 DFCDHN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2)n(C)n1 ZINC000278442565 427439946 /nfs/dbraw/zinc/43/99/46/427439946.db2.gz KOMNVEHDJKGGEB-HUUCEWRRSA-N 0 3 314.433 2.754 20 10 DFCDHN Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)n(C)n1 ZINC000278442560 427440448 /nfs/dbraw/zinc/44/04/48/427440448.db2.gz KOMNVEHDJKGGEB-GJZGRUSLSA-N 0 3 314.433 2.754 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccccc1[O-] ZINC000278545979 427443218 /nfs/dbraw/zinc/44/32/18/427443218.db2.gz VHRGRYPBXYWSRK-GOEBONIOSA-N 0 3 314.433 2.835 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c1[O-] ZINC000184706018 427524750 /nfs/dbraw/zinc/52/47/50/427524750.db2.gz APYXLQURWHIEDN-LLVKDONJSA-N 0 3 323.824 2.985 20 10 DFCDHN CN(C)c1ccc(CNC[C@H]2COC3(CCCC3)O2)cc1F ZINC000271440614 427538302 /nfs/dbraw/zinc/53/83/02/427538302.db2.gz PYGRUGDEZQIWSZ-AWEZNQCLSA-N 0 3 308.397 2.667 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000192815785 427615770 /nfs/dbraw/zinc/61/57/70/427615770.db2.gz SUGRXFXDRXEEGE-CABCVRRESA-N 0 3 312.417 2.810 20 10 DFCDHN C[C@@H](C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)N1CCOCC1 ZINC000184935520 427567777 /nfs/dbraw/zinc/56/77/77/427567777.db2.gz QKDBKDSGCGOXNW-GJZGRUSLSA-N 0 3 318.461 2.642 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000185052325 427586622 /nfs/dbraw/zinc/58/66/22/427586622.db2.gz USADEIVQOVJKBM-LBPRGKRZSA-N 0 3 307.390 2.737 20 10 DFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1(O)CCOCC1 ZINC000264070272 427649231 /nfs/dbraw/zinc/64/92/31/427649231.db2.gz RKCIPQCNGICKRU-UHFFFAOYSA-N 0 3 313.397 2.690 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@H](Cc2ccccc2)OC)c1 ZINC000294764325 427656415 /nfs/dbraw/zinc/65/64/15/427656415.db2.gz JKDMNJIWFQYMOV-KRWDZBQOSA-N 0 3 301.386 2.748 20 10 DFCDHN O=C1C[C@]2(CC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)CN1 ZINC000279487966 427686299 /nfs/dbraw/zinc/68/62/99/427686299.db2.gz UQENRZDWVMWHKO-HXUWFJFHSA-N 0 3 322.408 2.771 20 10 DFCDHN O=C1C[C@]2(CC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)CN1 ZINC000279487966 427686301 /nfs/dbraw/zinc/68/63/01/427686301.db2.gz UQENRZDWVMWHKO-HXUWFJFHSA-N 0 3 322.408 2.771 20 10 DFCDHN CC(C)OC1CC(NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000185851081 427718037 /nfs/dbraw/zinc/71/80/37/427718037.db2.gz KUKCWKOSAIPFNJ-UHFFFAOYSA-N 0 3 322.424 2.708 20 10 DFCDHN CC[C@H]([NH2+][C@H](C)[C@H](C)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000280011178 427726608 /nfs/dbraw/zinc/72/66/08/427726608.db2.gz GSHPFPAUYKPYFZ-VYDXJSESSA-N 0 3 306.450 2.851 20 10 DFCDHN C[C@@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1cc(F)ccc1[O-] ZINC000359963003 428096043 /nfs/dbraw/zinc/09/60/43/428096043.db2.gz XUMVXDVBBWCMOQ-OCCSQVGLSA-N 0 3 316.380 2.641 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cc(C)ccc2[O-])n1 ZINC000371410028 428389756 /nfs/dbraw/zinc/38/97/56/428389756.db2.gz QRLWQRZSKPCGJY-MRXNPFEDSA-N 0 3 300.406 2.574 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2cc(C)ccc2[O-])n1 ZINC000371410028 428389759 /nfs/dbraw/zinc/38/97/59/428389759.db2.gz QRLWQRZSKPCGJY-MRXNPFEDSA-N 0 3 300.406 2.574 20 10 DFCDHN Oc1cc2c(cc1CN[C@@H]1CCOc3c(F)cccc31)OCO2 ZINC000372881434 428505661 /nfs/dbraw/zinc/50/56/61/428505661.db2.gz XSXNGVCGILIZRV-CYBMUJFWSA-N 0 3 317.316 2.873 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000373217015 428524520 /nfs/dbraw/zinc/52/45/20/428524520.db2.gz PJYYAAQQKANYMJ-WFASDCNBSA-N 0 3 322.836 2.845 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000373217015 428524526 /nfs/dbraw/zinc/52/45/26/428524526.db2.gz PJYYAAQQKANYMJ-WFASDCNBSA-N 0 3 322.836 2.845 20 10 DFCDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374014461 428660291 /nfs/dbraw/zinc/66/02/91/428660291.db2.gz OBRJUSJFVFVPDK-GPMSIDNRSA-N 0 3 318.461 2.911 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000362234556 428670198 /nfs/dbraw/zinc/67/01/98/428670198.db2.gz IBOPLXYSAHODBF-IRXDYDNUSA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000362234556 428670204 /nfs/dbraw/zinc/67/02/04/428670204.db2.gz IBOPLXYSAHODBF-IRXDYDNUSA-N 0 3 302.418 2.676 20 10 DFCDHN CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(=O)OC)C2)c1[O-] ZINC000374682895 428730010 /nfs/dbraw/zinc/73/00/10/428730010.db2.gz NBFDKXBNMIHNHV-KSSFIOAISA-N 0 3 319.401 2.566 20 10 DFCDHN CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)OC)C2)c1[O-] ZINC000374682895 428730016 /nfs/dbraw/zinc/73/00/16/428730016.db2.gz NBFDKXBNMIHNHV-KSSFIOAISA-N 0 3 319.401 2.566 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c1[O-] ZINC000362621279 428793901 /nfs/dbraw/zinc/79/39/01/428793901.db2.gz IPPWTDWVICMAEV-CQSZACIVSA-N 0 3 313.401 2.961 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1[O-] ZINC000362621279 428793904 /nfs/dbraw/zinc/79/39/04/428793904.db2.gz IPPWTDWVICMAEV-CQSZACIVSA-N 0 3 313.401 2.961 20 10 DFCDHN C[C@H]1[N@H+](Cc2cc3c(cc2[O-])OCO3)CCC12CCOCC2 ZINC000363864146 429001252 /nfs/dbraw/zinc/00/12/52/429001252.db2.gz CKDACIPIEQELGY-GFCCVEGCSA-N 0 3 305.374 2.512 20 10 DFCDHN C[C@H]1[N@@H+](Cc2cc3c(cc2[O-])OCO3)CCC12CCOCC2 ZINC000363864146 429001257 /nfs/dbraw/zinc/00/12/57/429001257.db2.gz CKDACIPIEQELGY-GFCCVEGCSA-N 0 3 305.374 2.512 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1ccccc1[O-] ZINC000376521500 429128250 /nfs/dbraw/zinc/12/82/50/429128250.db2.gz RXNILGKBMWNDCU-HOTGVXAUSA-N 0 3 315.417 2.699 20 10 DFCDHN Cc1cccc(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1O ZINC000364327131 429182907 /nfs/dbraw/zinc/18/29/07/429182907.db2.gz IOCDYSWHQJTREV-AWEZNQCLSA-N 0 3 316.361 2.642 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000364327131 429182910 /nfs/dbraw/zinc/18/29/10/429182910.db2.gz IOCDYSWHQJTREV-AWEZNQCLSA-N 0 3 316.361 2.642 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1[O-] ZINC000364327131 429182915 /nfs/dbraw/zinc/18/29/15/429182915.db2.gz IOCDYSWHQJTREV-AWEZNQCLSA-N 0 3 316.361 2.642 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(C)cc1[O-] ZINC000365581077 429345131 /nfs/dbraw/zinc/34/51/31/429345131.db2.gz LMDFLUSFVXBCHO-RDJZCZTQSA-N 0 3 304.434 2.605 20 10 DFCDHN COc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1O ZINC000366807760 429517903 /nfs/dbraw/zinc/51/79/03/429517903.db2.gz IJMAHVQWERNTOP-GLJUWKHASA-N 0 3 321.417 2.559 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000367306854 429617861 /nfs/dbraw/zinc/61/78/61/429617861.db2.gz BBPLZUGDALBEPY-HUUCEWRRSA-N 0 3 300.406 2.555 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000367306854 429617865 /nfs/dbraw/zinc/61/78/65/429617865.db2.gz BBPLZUGDALBEPY-HUUCEWRRSA-N 0 3 300.406 2.555 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000367309885 429618723 /nfs/dbraw/zinc/61/87/23/429618723.db2.gz YWKMWNAQYDMXFG-DOTOQJQBSA-N 0 3 304.434 2.640 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000367309885 429618729 /nfs/dbraw/zinc/61/87/29/429618729.db2.gz YWKMWNAQYDMXFG-DOTOQJQBSA-N 0 3 304.434 2.640 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000367309888 429620067 /nfs/dbraw/zinc/62/00/67/429620067.db2.gz YWKMWNAQYDMXFG-WBVHZDCISA-N 0 3 304.434 2.640 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000367309888 429620071 /nfs/dbraw/zinc/62/00/71/429620071.db2.gz YWKMWNAQYDMXFG-WBVHZDCISA-N 0 3 304.434 2.640 20 10 DFCDHN Cc1cccc(C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1[O-] ZINC000367956343 429752915 /nfs/dbraw/zinc/75/29/15/429752915.db2.gz NBXCBIQBOABYEO-WBVHZDCISA-N 0 3 305.418 2.500 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000368362472 429838056 /nfs/dbraw/zinc/83/80/56/429838056.db2.gz GBJVQKIVMDWCSJ-JGGQBBKZSA-N 0 3 311.447 2.707 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH+]2CCC(n3cccn3)CC2)c1 ZINC000368799045 429895526 /nfs/dbraw/zinc/89/55/26/429895526.db2.gz UOGYVAZPEDHSID-CYBMUJFWSA-N 0 3 301.390 2.995 20 10 DFCDHN COCOc1ccc(OC)cc1CNCc1ccccc1O ZINC000271247098 277243671 /nfs/dbraw/zinc/24/36/71/277243671.db2.gz WBKCUXPUQHDYSA-UHFFFAOYSA-N 0 3 303.358 2.673 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000184914414 295168373 /nfs/dbraw/zinc/16/83/73/295168373.db2.gz BLWTZZVZQOOJAE-KKUMJFAQSA-N 0 3 322.449 2.551 20 10 DFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)CO)c1[O-] ZINC000187052230 301070541 /nfs/dbraw/zinc/07/05/41/301070541.db2.gz RZJCXJSGTLKVQT-SCZZXKLOSA-N 0 3 302.212 2.742 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1C ZINC000182861917 301369304 /nfs/dbraw/zinc/36/93/04/301369304.db2.gz NUJBDTOTRWUMEK-UHFFFAOYSA-N 0 3 305.418 2.638 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCOCC3(CCOCC3)C2)cc1C ZINC000182861917 301369307 /nfs/dbraw/zinc/36/93/07/301369307.db2.gz NUJBDTOTRWUMEK-UHFFFAOYSA-N 0 3 305.418 2.638 20 10 DFCDHN CN1C[C@H]([NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC1=O ZINC000293758184 335113119 /nfs/dbraw/zinc/11/31/19/335113119.db2.gz OSGZLBXIRZQGEY-AEFFLSMTSA-N 0 3 324.424 2.886 20 10 DFCDHN C[C@](O)(C[NH2+]Cc1cc(F)ccc1[O-])c1ccc(F)cc1F ZINC000180740286 333165076 /nfs/dbraw/zinc/16/50/76/333165076.db2.gz PTYMSOLZWZDDEJ-INIZCTEOSA-N 0 3 311.303 2.807 20 10 DFCDHN Cc1cc(Br)cc(CN2CCC[C@@H](O)[C@H]2C)c1O ZINC000294958455 335129261 /nfs/dbraw/zinc/12/92/61/335129261.db2.gz IDTDWRIGAIYTPT-ZWNOBZJWSA-N 0 3 314.223 2.808 20 10 DFCDHN COC1CCN(c2ccc(CN3CC[C@H](O)C[C@@H]3C)cc2)CC1 ZINC000295217960 335131104 /nfs/dbraw/zinc/13/11/04/335131104.db2.gz QOEANSHOXBCFEW-YJBOKZPZSA-N 0 3 318.461 2.647 20 10 DFCDHN CN(C)c1ccc(CNC[C@H](O)Cc2cccc(F)c2)cc1F ZINC000295155138 335132860 /nfs/dbraw/zinc/13/28/60/335132860.db2.gz RNJJPRBRPDLFKB-MRXNPFEDSA-N 0 3 320.383 2.724 20 10 DFCDHN CCn1cc(C[NH2+]Cc2cc(Br)cc(C)c2[O-])cn1 ZINC000271876000 334027968 /nfs/dbraw/zinc/02/79/68/334027968.db2.gz ZEMXRYIQCXINQT-UHFFFAOYSA-N 0 3 324.222 2.969 20 10 DFCDHN CC[C@H]([NH2+]C1CCN(C(=O)OC)CC1)c1ccc(C)cc1[O-] ZINC000280193837 334114963 /nfs/dbraw/zinc/11/49/63/334114963.db2.gz SMLZNICMWXIHRL-HNNXBMFYSA-N 0 3 306.406 2.972 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC000228631234 336017042 /nfs/dbraw/zinc/01/70/42/336017042.db2.gz HLZQKKJXHLQPAR-CQSZACIVSA-N 0 3 310.825 2.724 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC000228631234 336017045 /nfs/dbraw/zinc/01/70/45/336017045.db2.gz HLZQKKJXHLQPAR-CQSZACIVSA-N 0 3 310.825 2.724 20 10 DFCDHN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C(C)C)N(C)C ZINC000352110154 336195319 /nfs/dbraw/zinc/19/53/19/336195319.db2.gz AETQEDSJNVMUNJ-KRWDZBQOSA-N 0 3 301.434 2.689 20 10 DFCDHN CN(C)c1ccc(CN2CCN([C@H]3CCSC3)CC2)cc1F ZINC000367536889 336824534 /nfs/dbraw/zinc/82/45/34/336824534.db2.gz ZOTODLJXBAREDW-HNNXBMFYSA-N 0 3 323.481 2.515 20 10 DFCDHN COc1ccc2c(c1)[C@](O)(C[NH2+]Cc1ccccc1[O-])CCC2 ZINC000371357075 336901391 /nfs/dbraw/zinc/90/13/91/336901391.db2.gz FXLNYSRROHVBGP-LJQANCHMSA-N 0 3 313.397 2.715 20 10 DFCDHN CCOC(=O)C1(C)CCN(Cc2cccc(OCC)c2O)CC1 ZINC000371616230 336909095 /nfs/dbraw/zinc/90/90/95/336909095.db2.gz LYAYPZSQOFLNLJ-UHFFFAOYSA-N 0 3 321.417 2.956 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000371835160 336914233 /nfs/dbraw/zinc/91/42/33/336914233.db2.gz QUECJDBRESVNRM-JQHSSLGASA-N 0 3 318.461 2.995 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c([O-])c1 ZINC000371835315 336914240 /nfs/dbraw/zinc/91/42/40/336914240.db2.gz RZDXACKOPBYYTF-JQHSSLGASA-N 0 3 318.461 2.995 20 10 DFCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000372491838 336932921 /nfs/dbraw/zinc/93/29/21/336932921.db2.gz CHEMWXZCIRWYBK-AWEZNQCLSA-N 0 3 318.417 2.578 20 10 DFCDHN COCCn1ncc2c1[C@@H](NCc1cccc(C)c1O)CCC2 ZINC000375207528 337005851 /nfs/dbraw/zinc/00/58/51/337005851.db2.gz MDCLDBDZRHVFIR-INIZCTEOSA-N 0 3 315.417 2.711 20 10 DFCDHN COCCn1ncc2c1[C@@H]([NH2+]Cc1cccc(C)c1[O-])CCC2 ZINC000375207528 337005852 /nfs/dbraw/zinc/00/58/52/337005852.db2.gz MDCLDBDZRHVFIR-INIZCTEOSA-N 0 3 315.417 2.711 20 10 DFCDHN Cc1cccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1[O-] ZINC000375299643 337007437 /nfs/dbraw/zinc/00/74/37/337007437.db2.gz KCZQXQPZFMDVRZ-IBGZPJMESA-N 0 3 308.381 2.796 20 10 DFCDHN Cc1cccc(C[N@H+]2CC[C@]3(C2)c2ccccc2NC3=O)c1[O-] ZINC000375299643 337007438 /nfs/dbraw/zinc/00/74/38/337007438.db2.gz KCZQXQPZFMDVRZ-IBGZPJMESA-N 0 3 308.381 2.796 20 10 DFCDHN COCc1nccc([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000375843551 337021086 /nfs/dbraw/zinc/02/10/86/337021086.db2.gz SYTCAKBGZAUNDJ-CQSZACIVSA-N 0 3 313.401 2.708 20 10 DFCDHN COCc1nccc([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000375843551 337021087 /nfs/dbraw/zinc/02/10/87/337021087.db2.gz SYTCAKBGZAUNDJ-CQSZACIVSA-N 0 3 313.401 2.708 20 10 DFCDHN CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000375845840 337021211 /nfs/dbraw/zinc/02/12/11/337021211.db2.gz HIJIYULMBHNONJ-UONOGXRCSA-N 0 3 314.433 2.829 20 10 DFCDHN COc1ccc(O)c(CN2CCC(Nc3cccnc3)CC2)c1 ZINC000377622921 337056510 /nfs/dbraw/zinc/05/65/10/337056510.db2.gz JGMSMVAZYWUWJF-UHFFFAOYSA-N 0 3 313.401 2.872 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(Nc3cccnc3)CC2)c1 ZINC000377622921 337056511 /nfs/dbraw/zinc/05/65/11/337056511.db2.gz JGMSMVAZYWUWJF-UHFFFAOYSA-N 0 3 313.401 2.872 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(Cn2cncn2)CC1 ZINC000377730545 337059863 /nfs/dbraw/zinc/05/98/63/337059863.db2.gz ZDXUVPSMGORVDB-MRXNPFEDSA-N 0 3 300.406 2.847 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)C[C@@H]2CCn3ccnc3C2)c1 ZINC000377860820 337062951 /nfs/dbraw/zinc/06/29/51/337062951.db2.gz OFMQMGVADRXLEH-UONOGXRCSA-N 0 3 315.417 2.853 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)C[C@@H]2CCn3ccnc3C2)c1 ZINC000377860820 337062952 /nfs/dbraw/zinc/06/29/52/337062952.db2.gz OFMQMGVADRXLEH-UONOGXRCSA-N 0 3 315.417 2.853 20 10 DFCDHN CCC[C@H](C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)N(C)C ZINC000378542818 337075425 /nfs/dbraw/zinc/07/54/25/337075425.db2.gz PAHICJYOADCLGV-GOSISDBHSA-N 0 3 315.461 2.709 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+]C1CCC3(CCOCC3)CC1)OCO2 ZINC000360018329 337083881 /nfs/dbraw/zinc/08/38/81/337083881.db2.gz GKRVMNJKVIQMAD-UHFFFAOYSA-N 0 3 319.401 2.950 20 10 DFCDHN [O-]c1ccccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000179583924 337170252 /nfs/dbraw/zinc/17/02/52/337170252.db2.gz IUNIDXBDGWAPJT-QGZVFWFLSA-N 0 3 305.418 2.942 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1[O-] ZINC000179907170 337172563 /nfs/dbraw/zinc/17/25/63/337172563.db2.gz YKCWTZQVHQJQQJ-KRWDZBQOSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552381 337249096 /nfs/dbraw/zinc/24/90/96/337249096.db2.gz DPDJSEJZVIGSAY-GJZGRUSLSA-N 0 3 314.433 2.754 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c([O-])c1 ZINC000186051300 337253136 /nfs/dbraw/zinc/25/31/36/337253136.db2.gz YCQJIISQFAGSQS-GJZGRUSLSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1cc(N2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)n[nH]1 ZINC000189021181 337276487 /nfs/dbraw/zinc/27/64/87/337276487.db2.gz CXVKDSHRNFLFNB-UHFFFAOYSA-N 0 3 322.412 2.899 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N[C@]2(CO)CCc3ccccc32)c1 ZINC000359961878 337440974 /nfs/dbraw/zinc/44/09/74/337440974.db2.gz UDQOUQMYHZJYOZ-YJYMSZOUSA-N 0 3 313.397 2.885 20 10 DFCDHN COc1cccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1[O-] ZINC000092662180 337906884 /nfs/dbraw/zinc/90/68/84/337906884.db2.gz GUJZSSQALVKJEJ-INIZCTEOSA-N 0 3 321.417 2.561 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000265157591 521151627 /nfs/dbraw/zinc/15/16/27/521151627.db2.gz QIYTZFXKNNWBTG-GOSISDBHSA-N 0 3 301.386 2.788 20 10 DFCDHN CCN(Cc1c[nH]c(C(=O)OC)c1)Cc1ccc(N(C)C)cc1 ZINC000156845421 521280039 /nfs/dbraw/zinc/28/00/39/521280039.db2.gz PZGUPIZAVVKYRE-UHFFFAOYSA-N 0 3 315.417 2.889 20 10 DFCDHN CCOc1cccc(CN[C@@H](CO)c2ccc(F)cc2)c1O ZINC000265218316 521369940 /nfs/dbraw/zinc/36/99/40/521369940.db2.gz GAPNESNZPOWLDT-HNNXBMFYSA-N 0 3 305.349 2.753 20 10 DFCDHN CCSc1cc(CNCc2cc3c(cc2O)OCO3)ccn1 ZINC000189582720 521734030 /nfs/dbraw/zinc/73/40/30/521734030.db2.gz JRBCHZZEZVXFOO-UHFFFAOYSA-N 0 3 318.398 2.918 20 10 DFCDHN COCC[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265289662 521897152 /nfs/dbraw/zinc/89/71/52/521897152.db2.gz ZBQMSFXKQKZDTE-LJQANCHMSA-N 0 3 315.413 2.936 20 10 DFCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)CC1(O)CCCCCC1 ZINC000190139749 523185741 /nfs/dbraw/zinc/18/57/41/523185741.db2.gz KQOVANSGWFVRBZ-UHFFFAOYSA-N 0 3 307.390 2.638 20 10 DFCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)CC1(O)CCCCCC1 ZINC000190139749 523185756 /nfs/dbraw/zinc/18/57/56/523185756.db2.gz KQOVANSGWFVRBZ-UHFFFAOYSA-N 0 3 307.390 2.638 20 10 DFCDHN COc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)c([O-])c1 ZINC000366287889 524069134 /nfs/dbraw/zinc/06/91/34/524069134.db2.gz UOHFVXNKHSHKBO-UHFFFAOYSA-N 0 3 319.430 2.616 20 10 DFCDHN C[C@H](CC(N)=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000267292326 524085081 /nfs/dbraw/zinc/08/50/81/524085081.db2.gz YDLLGYQOLLOJHK-CQSZACIVSA-N 0 3 303.450 2.809 20 10 DFCDHN Cc1cccc(CN2CCN([C@H](C)c3cccnc3)CC2)c1O ZINC000180248697 524400461 /nfs/dbraw/zinc/40/04/61/524400461.db2.gz QHWBWONPUQFQKA-MRXNPFEDSA-N 0 3 311.429 2.974 20 10 DFCDHN Cc1cccc(C[NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000182671690 524432905 /nfs/dbraw/zinc/43/29/05/524432905.db2.gz IWEBJGOSDZBYAP-QGZVFWFLSA-N 0 3 324.424 2.839 20 10 DFCDHN C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])C[C@@H](C)O1 ZINC000179990316 524964909 /nfs/dbraw/zinc/96/49/09/524964909.db2.gz KCNJVBMIBYWIEG-CPUCHLNUSA-N 0 3 322.424 2.605 20 10 DFCDHN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])C[C@@H](C)O1 ZINC000179990316 524964917 /nfs/dbraw/zinc/96/49/17/524964917.db2.gz KCNJVBMIBYWIEG-CPUCHLNUSA-N 0 3 322.424 2.605 20 10 DFCDHN COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000182387924 525206774 /nfs/dbraw/zinc/20/67/74/525206774.db2.gz CRICAKNBFTUUAT-XIKOKIGWSA-N 0 3 317.385 2.794 20 10 DFCDHN C[C@@H](NCCOCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000268873574 525452343 /nfs/dbraw/zinc/45/23/43/525452343.db2.gz GMVJICHXOZVGMX-OAHLLOKOSA-N 0 3 304.434 2.600 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000179891613 525684367 /nfs/dbraw/zinc/68/43/67/525684367.db2.gz GADRYMIITSQGKD-DOMZBBRYSA-N 0 3 314.360 2.987 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@@H]2O)c1[O-] ZINC000190265446 526156885 /nfs/dbraw/zinc/15/68/85/526156885.db2.gz KQEXVOZSSDWDGB-STQMWFEESA-N 0 3 314.223 2.856 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CCOCC(F)F)C[C@H]1CCCO1 ZINC000189661857 526372956 /nfs/dbraw/zinc/37/29/56/526372956.db2.gz SVBRMJPSZDLBRI-CQSZACIVSA-N 0 3 315.360 2.655 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CCOCC(F)F)C[C@H]1CCCO1 ZINC000189661857 526372962 /nfs/dbraw/zinc/37/29/62/526372962.db2.gz SVBRMJPSZDLBRI-CQSZACIVSA-N 0 3 315.360 2.655 20 10 DFCDHN CCCN1CC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402545 534957705 /nfs/dbraw/zinc/95/77/05/534957705.db2.gz NLKGUJVDIVKWNG-QWHCGFSZSA-N 0 3 307.394 2.683 20 10 DFCDHN CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402545 534957711 /nfs/dbraw/zinc/95/77/11/534957711.db2.gz NLKGUJVDIVKWNG-QWHCGFSZSA-N 0 3 307.394 2.683 20 10 DFCDHN CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273402545 534957716 /nfs/dbraw/zinc/95/77/16/534957716.db2.gz NLKGUJVDIVKWNG-QWHCGFSZSA-N 0 3 307.394 2.683 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])[C@]12CCCO2 ZINC000274184173 535512828 /nfs/dbraw/zinc/51/28/28/535512828.db2.gz JCUGWPHBNUJCQG-IAOMBJDPSA-N 0 3 309.381 2.909 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccccc1[O-] ZINC000278544666 535808247 /nfs/dbraw/zinc/80/82/47/535808247.db2.gz VHRGRYPBXYWSRK-GDBMZVCRSA-N 0 3 314.433 2.835 20 10 DFCDHN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cc(C)ccc1O ZINC000284504627 536623546 /nfs/dbraw/zinc/62/35/46/536623546.db2.gz CSQSVQICQKGQKX-JFIYKMOQSA-N 0 3 305.418 2.717 20 10 DFCDHN COCC1(CC[NH2+]Cc2cc(OC)c(OC)cc2[O-])CCC1 ZINC000293745009 536818240 /nfs/dbraw/zinc/81/82/40/536818240.db2.gz WFHSGUDCBWENBY-UHFFFAOYSA-N 0 3 309.406 2.706 20 10 DFCDHN Cc1ccc(O)c(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822259302 599397609 /nfs/dbraw/zinc/39/76/09/599397609.db2.gz SXZVPKAJRBVGPX-GFCCVEGCSA-N 0 3 309.373 2.732 20 10 DFCDHN CC[N@H+](C)C[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079469626 185172841 /nfs/dbraw/zinc/17/28/41/185172841.db2.gz RUMMFMFECGNPMW-CYBMUJFWSA-N 0 3 308.397 2.508 20 10 DFCDHN CC[N@@H+](C)C[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079469626 185172842 /nfs/dbraw/zinc/17/28/42/185172842.db2.gz RUMMFMFECGNPMW-CYBMUJFWSA-N 0 3 308.397 2.508 20 10 DFCDHN CCNC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N(C)CC)cc2)C1 ZINC000090411942 185295051 /nfs/dbraw/zinc/29/50/51/185295051.db2.gz OYGUPNWEKKZFBD-HOCLYGCPSA-N 0 3 318.465 2.597 20 10 DFCDHN CCCC(=O)N[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000092708096 185335240 /nfs/dbraw/zinc/33/52/40/185335240.db2.gz GNDARXPKMZVWHP-MRXNPFEDSA-N 0 3 303.450 2.633 20 10 DFCDHN COc1cccc(CN(C)Cc2cc3c(cc2O)OCO3)c1 ZINC000021322899 398412739 /nfs/dbraw/zinc/41/27/39/398412739.db2.gz BMZIQNRPPIDWJD-UHFFFAOYSA-N 0 3 301.342 2.762 20 10 DFCDHN CC(C)(C)[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000283993582 535059272 /nfs/dbraw/zinc/05/92/72/535059272.db2.gz MYZMCLZWEUMBJI-WBVHZDCISA-N 0 3 307.434 2.780 20 10 DFCDHN CC(C)(C)[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000283993582 535059275 /nfs/dbraw/zinc/05/92/75/535059275.db2.gz MYZMCLZWEUMBJI-WBVHZDCISA-N 0 3 307.434 2.780 20 10 DFCDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(N(C)C)cc1)CC2 ZINC000093613068 398642120 /nfs/dbraw/zinc/64/21/20/398642120.db2.gz HEDOOGVOUZXOON-MSOLQXFVSA-N 0 3 318.461 2.505 20 10 DFCDHN CCOc1cccc(CNCc2ccccc2[N+](=O)[O-])c1O ZINC000236951892 202089833 /nfs/dbraw/zinc/08/98/33/202089833.db2.gz XIMDHKFUZSYBPX-UHFFFAOYSA-N 0 3 302.330 2.989 20 10 DFCDHN c1ncn(Cc2ccccc2CNCc2ccc3c(c2)CCO3)n1 ZINC000054174524 398892695 /nfs/dbraw/zinc/89/26/95/398892695.db2.gz KXGBGIUZKCXOLH-UHFFFAOYSA-N 0 3 320.396 2.551 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000093134402 193206337 /nfs/dbraw/zinc/20/63/37/193206337.db2.gz BEQOHKQNQAKLKT-CQSZACIVSA-N 0 3 312.417 2.618 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000093134402 193206339 /nfs/dbraw/zinc/20/63/39/193206339.db2.gz BEQOHKQNQAKLKT-CQSZACIVSA-N 0 3 312.417 2.618 20 10 DFCDHN CN(Cc1cc2c(cc1O)OCO2)[C@H](CCO)c1ccccc1 ZINC000093442746 193252429 /nfs/dbraw/zinc/25/24/29/193252429.db2.gz QCNHECPVSXIIJP-OAHLLOKOSA-N 0 3 315.369 2.676 20 10 DFCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@H](CCO)c1ccccc1 ZINC000093442746 193252431 /nfs/dbraw/zinc/25/24/31/193252431.db2.gz QCNHECPVSXIIJP-OAHLLOKOSA-N 0 3 315.369 2.676 20 10 DFCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@H](CCO)c1ccccc1 ZINC000093442746 193252433 /nfs/dbraw/zinc/25/24/33/193252433.db2.gz QCNHECPVSXIIJP-OAHLLOKOSA-N 0 3 315.369 2.676 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000272486492 130035359 /nfs/dbraw/zinc/03/53/59/130035359.db2.gz DBFGLTNYEJQKLT-MNOVXSKESA-N 0 3 314.223 2.666 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000272486492 130035362 /nfs/dbraw/zinc/03/53/62/130035362.db2.gz DBFGLTNYEJQKLT-MNOVXSKESA-N 0 3 314.223 2.666 20 10 DFCDHN Cc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c([O-])c1O ZINC000272888849 130070928 /nfs/dbraw/zinc/07/09/28/130070928.db2.gz YYLDOKGJQFXFCM-UHFFFAOYSA-N 0 3 314.385 2.763 20 10 DFCDHN C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000273077332 130088429 /nfs/dbraw/zinc/08/84/29/130088429.db2.gz PRWXLQRHZROZHO-ZSEKCTLFSA-N 0 3 303.427 2.916 20 10 DFCDHN CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@]23CCCO3)c1[O-] ZINC000273561884 130136534 /nfs/dbraw/zinc/13/65/34/130136534.db2.gz FAUVUZXPPRAWNI-NUJGCVRESA-N 0 3 321.417 2.607 20 10 DFCDHN C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273591861 130142410 /nfs/dbraw/zinc/14/24/10/130142410.db2.gz PIQMYVGMGJGUJM-STQMWFEESA-N 0 3 300.406 2.602 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])[C@]12CCCO2 ZINC000274214994 130217725 /nfs/dbraw/zinc/21/77/25/130217725.db2.gz NJICUPTZWMVGCF-DUOKCRBOSA-N 0 3 321.417 2.778 20 10 DFCDHN CC[C@@H]([NH2+]CCCOCCOCCOC)c1ccccc1[O-] ZINC000274767543 130261029 /nfs/dbraw/zinc/26/10/29/130261029.db2.gz LRJOOQBSQRTTDX-MRXNPFEDSA-N 0 3 311.422 2.503 20 10 DFCDHN CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-])C1CC1 ZINC000275482289 130326998 /nfs/dbraw/zinc/32/69/98/130326998.db2.gz BDEHFLJNNGXULP-QGZVFWFLSA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N(C[C@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-])C1CC1 ZINC000275482289 130327002 /nfs/dbraw/zinc/32/70/02/130327002.db2.gz BDEHFLJNNGXULP-QGZVFWFLSA-N 0 3 302.418 2.676 20 10 DFCDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])N(C)C(=O)OC(C)(C)C ZINC000283147829 130963594 /nfs/dbraw/zinc/96/35/94/130963594.db2.gz XGCBEVHQJDKHHI-NSHDSACASA-N 0 3 312.385 2.876 20 10 DFCDHN COc1cccc(CNCc2ccnc(OC(F)F)c2)c1O ZINC000284123087 131050710 /nfs/dbraw/zinc/05/07/10/131050710.db2.gz TZYWEQFXHGSOEX-UHFFFAOYSA-N 0 3 310.300 2.687 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c([O-])c1 ZINC000284125420 131051306 /nfs/dbraw/zinc/05/13/06/131051306.db2.gz NYYZRDMDCSSJHH-OAHLLOKOSA-N 0 3 306.450 2.770 20 10 DFCDHN CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000284983167 131127941 /nfs/dbraw/zinc/12/79/41/131127941.db2.gz GELKFADOUVHYKC-GDBMZVCRSA-N 0 3 304.434 2.918 20 10 DFCDHN CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000285048680 131133907 /nfs/dbraw/zinc/13/39/07/131133907.db2.gz ILHCHGVTCLUFMO-ZIAGYGMSSA-N 0 3 306.406 2.890 20 10 DFCDHN CCc1ccc([C@@H](O)C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000285539626 131178276 /nfs/dbraw/zinc/17/82/76/131178276.db2.gz PUWDGMFRDFLWED-INIZCTEOSA-N 0 3 315.369 2.507 20 10 DFCDHN CN(C)c1ccc(CN[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1F ZINC000285538787 131178645 /nfs/dbraw/zinc/17/86/45/131178645.db2.gz QJDNYGOMYYOAQM-RHSMWYFYSA-N 0 3 321.440 2.675 20 10 DFCDHN O=C([C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)N1CCCC1 ZINC000288562587 131330665 /nfs/dbraw/zinc/33/06/65/131330665.db2.gz JROKTBDJLWXIGX-MRXNPFEDSA-N 0 3 324.424 2.990 20 10 DFCDHN O=C([C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1)N1CCCC1 ZINC000288562587 131330666 /nfs/dbraw/zinc/33/06/66/131330666.db2.gz JROKTBDJLWXIGX-MRXNPFEDSA-N 0 3 324.424 2.990 20 10 DFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000292828814 131680570 /nfs/dbraw/zinc/68/05/70/131680570.db2.gz XPOJEKAYEVSJDW-MSOLQXFVSA-N 0 3 313.397 2.689 20 10 DFCDHN Cc1cc(CN2CCC(CC(=O)N(C)C)CC2)ccc1N(C)C ZINC000294567677 131845521 /nfs/dbraw/zinc/84/55/21/131845521.db2.gz LYIAATHAWKITGT-UHFFFAOYSA-N 0 3 317.477 2.751 20 10 DFCDHN CN(C)C(=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCCC1 ZINC000297918518 132040973 /nfs/dbraw/zinc/04/09/73/132040973.db2.gz WZOJMIZBCGSGNO-AWEZNQCLSA-N 0 3 302.418 2.618 20 10 DFCDHN CCOc1cccc(CNCc2cc3c(cc2O)OCO3)c1 ZINC000063255992 425900290 /nfs/dbraw/zinc/90/02/90/425900290.db2.gz UIXWWYRRCRLKMV-UHFFFAOYSA-N 0 3 301.342 2.809 20 10 DFCDHN CCOc1cccc(C[NH2+]Cc2cc3c(cc2[O-])OCO3)c1 ZINC000063255992 425900291 /nfs/dbraw/zinc/90/02/91/425900291.db2.gz UIXWWYRRCRLKMV-UHFFFAOYSA-N 0 3 301.342 2.809 20 10 DFCDHN CC[C@@H]([NH2+]C1CCN(CCCOC)CC1)c1ccccc1[O-] ZINC000155578601 425922049 /nfs/dbraw/zinc/92/20/49/425922049.db2.gz UJVUKNOOGKVRFB-QGZVFWFLSA-N 0 3 306.450 2.934 20 10 DFCDHN COc1ccc(O)c(CN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000155972187 425930922 /nfs/dbraw/zinc/93/09/22/425930922.db2.gz BBQBYZUAVJIGNG-SFHVURJKSA-N 0 3 312.413 2.890 20 10 DFCDHN Nc1ccc(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000071700416 425988810 /nfs/dbraw/zinc/98/88/10/425988810.db2.gz NXLIZSRFCZSRSQ-IBGZPJMESA-N 0 3 323.440 2.765 20 10 DFCDHN COc1ccc(N2CCCN(CCc3ccccn3)CC2)cc1 ZINC000077234910 426124284 /nfs/dbraw/zinc/12/42/84/426124284.db2.gz BACRYVRSGCBQDF-UHFFFAOYSA-N 0 3 311.429 2.845 20 10 DFCDHN CCCCOCCN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000119564196 426297540 /nfs/dbraw/zinc/29/75/40/426297540.db2.gz CMOZGGSNSQPJSA-MRXNPFEDSA-N 0 3 306.450 2.991 20 10 DFCDHN Cn1cc(C[N@H+](C)Cc2ccccc2[O-])c(-c2cccnc2)n1 ZINC000091956703 426345065 /nfs/dbraw/zinc/34/50/65/426345065.db2.gz MIWCBCIBYSLPIG-UHFFFAOYSA-N 0 3 308.385 2.820 20 10 DFCDHN Cn1cc(C[N@@H+](C)Cc2ccccc2[O-])c(-c2cccnc2)n1 ZINC000091956703 426345066 /nfs/dbraw/zinc/34/50/66/426345066.db2.gz MIWCBCIBYSLPIG-UHFFFAOYSA-N 0 3 308.385 2.820 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810968 426353521 /nfs/dbraw/zinc/35/35/21/426353521.db2.gz XKPUMGBSHTXGJH-UHFFFAOYSA-N 0 3 301.390 2.894 20 10 DFCDHN CN(C)c1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1 ZINC000122070977 426357450 /nfs/dbraw/zinc/35/74/50/426357450.db2.gz DDWXNVPAAXNTEK-UHFFFAOYSA-N 0 3 311.429 2.630 20 10 DFCDHN CN(CCN1CCCC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000097153150 426454757 /nfs/dbraw/zinc/45/47/57/426454757.db2.gz IHCJZIRQNXQQRJ-UHFFFAOYSA-N 0 3 315.461 2.731 20 10 DFCDHN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1ccccc1[O-] ZINC000154980712 426460657 /nfs/dbraw/zinc/46/06/57/426460657.db2.gz PLMMFPDKDPANBV-DLBZAZTESA-N 0 3 306.450 2.790 20 10 DFCDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C12CCOCC2 ZINC000186456010 426530979 /nfs/dbraw/zinc/53/09/79/426530979.db2.gz NEVXNQJZOWDNPL-CVEARBPZSA-N 0 3 309.381 2.595 20 10 DFCDHN CC[C@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280119748 426503873 /nfs/dbraw/zinc/50/38/73/426503873.db2.gz OGJSFIYCBSROPM-WMZOPIPTSA-N 0 3 319.493 2.625 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000224803875 426594685 /nfs/dbraw/zinc/59/46/85/426594685.db2.gz VCYNCBNXSUENOV-LBPRGKRZSA-N 0 3 324.421 2.794 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000289195802 426603174 /nfs/dbraw/zinc/60/31/74/426603174.db2.gz BCIVNODGXJXWHP-UKRRQHHQSA-N 0 3 323.433 2.925 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000289195802 426603181 /nfs/dbraw/zinc/60/31/81/426603181.db2.gz BCIVNODGXJXWHP-UKRRQHHQSA-N 0 3 323.433 2.925 20 10 DFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC[C@@H](C)O)c1[O-] ZINC000187207678 426639725 /nfs/dbraw/zinc/63/97/25/426639725.db2.gz SBKWCWYFEJRHIV-ZJUUUORDSA-N 0 3 302.212 2.885 20 10 DFCDHN COc1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1[O-] ZINC000289717325 426672773 /nfs/dbraw/zinc/67/27/73/426672773.db2.gz FJJPYDWMXTZWIH-APWZRJJASA-N 0 3 313.397 2.657 20 10 DFCDHN CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000280891283 426678256 /nfs/dbraw/zinc/67/82/56/426678256.db2.gz DNBBFRGTLMHBOB-MRXNPFEDSA-N 0 3 310.397 2.877 20 10 DFCDHN CN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1)c1ccccc1 ZINC000280891283 426678260 /nfs/dbraw/zinc/67/82/60/426678260.db2.gz DNBBFRGTLMHBOB-MRXNPFEDSA-N 0 3 310.397 2.877 20 10 DFCDHN CCOc1cccc(C[NH2+]CCc2cccnc2OC)c1[O-] ZINC000289983115 426679374 /nfs/dbraw/zinc/67/93/74/426679374.db2.gz ZVEZTNONEGITJC-UHFFFAOYSA-N 0 3 302.374 2.527 20 10 DFCDHN NC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000178710379 426680292 /nfs/dbraw/zinc/68/02/92/426680292.db2.gz BTIDVJVTDLJJOX-IBGZPJMESA-N 0 3 323.440 2.646 20 10 DFCDHN CC[C@H](C)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000187724726 426689679 /nfs/dbraw/zinc/68/96/79/426689679.db2.gz UKEAXRLPZJNJMX-ZDUSSCGKSA-N 0 3 308.422 2.633 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2cccnc2OC)c1 ZINC000290189088 426712541 /nfs/dbraw/zinc/71/25/41/426712541.db2.gz ODWJHSKFTIBABV-GFCCVEGCSA-N 0 3 302.374 2.698 20 10 DFCDHN C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1cc(F)ccc1[O-] ZINC000290205311 426715824 /nfs/dbraw/zinc/71/58/24/426715824.db2.gz GXFPWOFVEHNEBG-NCHVAJSOSA-N 0 3 303.333 2.677 20 10 DFCDHN COC[C@H](CO)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000280964136 426695068 /nfs/dbraw/zinc/69/50/68/426695068.db2.gz KUGPSPFEFNYDHI-RDJZCZTQSA-N 0 3 306.450 2.725 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290409290 426758967 /nfs/dbraw/zinc/75/89/67/426758967.db2.gz JXTMHPUWHKJIFC-RISCZKNCSA-N 0 3 312.841 2.826 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290409290 426758970 /nfs/dbraw/zinc/75/89/70/426758970.db2.gz JXTMHPUWHKJIFC-RISCZKNCSA-N 0 3 312.841 2.826 20 10 DFCDHN CC(C)(C)OC(=O)N1CCCN(Cc2ccccc2O)CC1 ZINC000179556378 426799907 /nfs/dbraw/zinc/79/99/07/426799907.db2.gz YQLFJRTYOYESFB-UHFFFAOYSA-N 0 3 306.406 2.835 20 10 DFCDHN O=C1CCCCN1CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179577753 426801859 /nfs/dbraw/zinc/80/18/59/426801859.db2.gz IZTNSNVWTRRVQS-UHFFFAOYSA-N 0 3 302.418 2.617 20 10 DFCDHN OCCO[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000179571047 426802159 /nfs/dbraw/zinc/80/21/59/426802159.db2.gz FNONMZWDDUPGSX-IBGZPJMESA-N 0 3 318.461 2.650 20 10 DFCDHN C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000290609433 426805780 /nfs/dbraw/zinc/80/57/80/426805780.db2.gz WJHWMTLJLZBGMD-TZMCWYRMSA-N 0 3 306.406 2.880 20 10 DFCDHN C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[O-] ZINC000290609433 426805783 /nfs/dbraw/zinc/80/57/83/426805783.db2.gz WJHWMTLJLZBGMD-TZMCWYRMSA-N 0 3 306.406 2.880 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290637270 426811363 /nfs/dbraw/zinc/81/13/63/426811363.db2.gz YGVLQMUTSKLVCL-CYBMUJFWSA-N 0 3 322.836 2.798 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290637270 426811365 /nfs/dbraw/zinc/81/13/65/426811365.db2.gz YGVLQMUTSKLVCL-CYBMUJFWSA-N 0 3 322.836 2.798 20 10 DFCDHN CN1CCCc2cc(CNCc3c[nH]c4nccnc34)ccc21 ZINC000290813082 426845772 /nfs/dbraw/zinc/84/57/72/426845772.db2.gz GIMZDGGZSLUFKK-UHFFFAOYSA-N 0 3 307.401 2.630 20 10 DFCDHN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000282189928 426849612 /nfs/dbraw/zinc/84/96/12/426849612.db2.gz GDEVILNONORXIV-LAJNKCICSA-N 0 3 307.459 2.833 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]CCc2cccnc2OC)c1[O-] ZINC000290963419 426872549 /nfs/dbraw/zinc/87/25/49/426872549.db2.gz RUHAUCSBVSPXRL-UHFFFAOYSA-N 0 3 322.792 2.790 20 10 DFCDHN COCCOCc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000291089339 426876191 /nfs/dbraw/zinc/87/61/91/426876191.db2.gz WXRZYJNVXWJASI-UHFFFAOYSA-N 0 3 319.376 2.984 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000291460535 426887399 /nfs/dbraw/zinc/88/73/99/426887399.db2.gz DCGQIAXUVPHICM-FUHWJXTLSA-N 0 3 301.361 2.787 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000283143220 426964242 /nfs/dbraw/zinc/96/42/42/426964242.db2.gz WZFYFFQIAZDTGH-LBPRGKRZSA-N 0 3 324.421 2.746 20 10 DFCDHN O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000282921901 426935363 /nfs/dbraw/zinc/93/53/63/426935363.db2.gz HIKDPJDJCCBVRX-INIZCTEOSA-N 0 3 311.385 2.788 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)c([O-])c1C ZINC000283446621 427016281 /nfs/dbraw/zinc/01/62/81/427016281.db2.gz UIBXXDPSXOWHFO-HIFRSBDPSA-N 0 3 302.418 2.861 20 10 DFCDHN CCNC(=O)c1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000295824157 427019195 /nfs/dbraw/zinc/01/91/95/427019195.db2.gz DONPMXVDKPXBKA-INIZCTEOSA-N 0 3 310.397 2.919 20 10 DFCDHN CNC(=O)C[C@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000268909591 427138511 /nfs/dbraw/zinc/13/85/11/427138511.db2.gz MLSJXKSOAYGUDN-HNNXBMFYSA-N 0 3 303.450 2.537 20 10 DFCDHN FC(F)C(F)(F)COCCNCc1ccc2c(c1)CCO2 ZINC000277430167 427199925 /nfs/dbraw/zinc/19/99/25/427199925.db2.gz CDFZSAMWSJXYQG-UHFFFAOYSA-N 0 3 307.287 2.628 20 10 DFCDHN Cc1cc(CN2CCS[C@H]3COCC[C@H]32)ccc1N(C)C ZINC000292829401 427202340 /nfs/dbraw/zinc/20/23/40/427202340.db2.gz OPWBRTPGTRHMIR-SJORKVTESA-N 0 3 306.475 2.767 20 10 DFCDHN Cc1cc(CN2CCC3(CC2)OCCCO3)ccc1N(C)C ZINC000292988708 427209993 /nfs/dbraw/zinc/20/99/93/427209993.db2.gz LXIMAAMGFJALMG-UHFFFAOYSA-N 0 3 304.434 2.790 20 10 DFCDHN CC(=O)N(C)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293188711 427240712 /nfs/dbraw/zinc/24/07/12/427240712.db2.gz SZBZHBFLNONGBY-UHFFFAOYSA-N 0 3 303.450 2.504 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1[O-] ZINC000183348970 427249689 /nfs/dbraw/zinc/24/96/89/427249689.db2.gz YRSALZLVDIKMKP-RYUDHWBXSA-N 0 3 316.323 2.596 20 10 DFCDHN C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccccc1[O-] ZINC000183604184 427301294 /nfs/dbraw/zinc/30/12/94/427301294.db2.gz YEYHDPUOGXNUDA-GFCCVEGCSA-N 0 3 304.415 2.924 20 10 DFCDHN COC1CCN(c2ccc(CN3CCCO[C@@H](C)C3)cc2)CC1 ZINC000297026467 427308611 /nfs/dbraw/zinc/30/86/11/427308611.db2.gz HBRCQCBTPAFUMP-INIZCTEOSA-N 0 3 318.461 2.913 20 10 DFCDHN COc1cccc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000270085907 427316468 /nfs/dbraw/zinc/31/64/68/427316468.db2.gz KCOKOITZOXFANK-AMXDTQDGSA-N 0 3 319.426 2.989 20 10 DFCDHN CCCNC(=O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271045613 427385751 /nfs/dbraw/zinc/38/57/51/427385751.db2.gz QQXLXJURVHEJQY-UHFFFAOYSA-N 0 3 321.440 2.630 20 10 DFCDHN COC(=O)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271058988 427391884 /nfs/dbraw/zinc/39/18/84/427391884.db2.gz BTBWVWBFNKCBFO-MRXNPFEDSA-N 0 3 302.418 2.672 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC3(CC2)OCCCO3)c1 ZINC000293660859 427397707 /nfs/dbraw/zinc/39/77/07/427397707.db2.gz NTVPPHLPQPYUOI-UHFFFAOYSA-N 0 3 307.390 2.520 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000293660859 427397713 /nfs/dbraw/zinc/39/77/13/427397713.db2.gz NTVPPHLPQPYUOI-UHFFFAOYSA-N 0 3 307.390 2.520 20 10 DFCDHN CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000270631835 427364256 /nfs/dbraw/zinc/36/42/56/427364256.db2.gz HTGRZVGBBYNXDV-WBMJQRKESA-N 0 3 307.390 2.804 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cncn2C)C1)c1ccccc1[O-] ZINC000278875003 427483384 /nfs/dbraw/zinc/48/33/84/427483384.db2.gz CCIIOILBUYIVGD-OGHNNQOOSA-N 0 3 301.390 2.697 20 10 DFCDHN CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000293756558 427425711 /nfs/dbraw/zinc/42/57/11/427425711.db2.gz QVTIPKNJPDABPR-OLZOCXBDSA-N 0 3 308.422 2.604 20 10 DFCDHN CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000293756552 427427331 /nfs/dbraw/zinc/42/73/31/427427331.db2.gz QVTIPKNJPDABPR-CHWSQXEVSA-N 0 3 308.422 2.604 20 10 DFCDHN Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)n(C)n1 ZINC000278442571 427438536 /nfs/dbraw/zinc/43/85/36/427438536.db2.gz KOMNVEHDJKGGEB-LSDHHAIUSA-N 0 3 314.433 2.754 20 10 DFCDHN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccccc3[O-])C2)n(C)n1 ZINC000278442556 427438853 /nfs/dbraw/zinc/43/88/53/427438853.db2.gz KOMNVEHDJKGGEB-CABCVRRESA-N 0 3 314.433 2.754 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000278424619 427440343 /nfs/dbraw/zinc/44/03/43/427440343.db2.gz SENXBLARTHWQAA-ZFWWWQNUSA-N 0 3 316.367 2.888 20 10 DFCDHN COc1c(O)c(CNc2cc(C)cc(C)n2)ccc1[N+](=O)[O-] ZINC000278525624 427441880 /nfs/dbraw/zinc/44/18/80/427441880.db2.gz TUPGVKAOUMXDPE-UHFFFAOYSA-N 0 3 303.318 2.933 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@@H](COC)[C@@H]2CCCO2)cc1 ZINC000278687815 427446516 /nfs/dbraw/zinc/44/65/16/427446516.db2.gz GTXCHLKUXZZPBO-WBAXXEDZSA-N 0 3 306.450 2.987 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000271413320 427528668 /nfs/dbraw/zinc/52/86/68/427528668.db2.gz KNJRBYMKLIWPDB-INIZCTEOSA-N 0 3 321.417 2.956 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000184914296 427564157 /nfs/dbraw/zinc/56/41/57/427564157.db2.gz BOUKXHXHZDSNHY-BZUAXINKSA-N 0 3 306.450 2.851 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000184914631 427564899 /nfs/dbraw/zinc/56/48/99/427564899.db2.gz XLOCIGAAGLWLGC-OAGGEKHMSA-N 0 3 306.450 2.851 20 10 DFCDHN COc1cc([O-])c(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1OC ZINC000271694944 427580375 /nfs/dbraw/zinc/58/03/75/427580375.db2.gz AMNAPRALICSJCL-UHFFFAOYSA-N 0 3 317.389 2.512 20 10 DFCDHN COc1cc(O)c(CN2CCC(c3ncc[nH]3)CC2)cc1OC ZINC000271694944 427580384 /nfs/dbraw/zinc/58/03/84/427580384.db2.gz AMNAPRALICSJCL-UHFFFAOYSA-N 0 3 317.389 2.512 20 10 DFCDHN COc1ccc(O)c(CN[C@@H](CO)c2ccc(Cl)cc2)c1 ZINC000271766401 427584829 /nfs/dbraw/zinc/58/48/29/427584829.db2.gz AJMMJHUKNBUSNQ-HNNXBMFYSA-N 0 3 307.777 2.877 20 10 DFCDHN COc1ccc(O)c(CN2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000271726093 427586797 /nfs/dbraw/zinc/58/67/97/427586797.db2.gz LNDFCFZSRMRACC-UHFFFAOYSA-N 0 3 321.417 2.955 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)c1 ZINC000271873096 427591807 /nfs/dbraw/zinc/59/18/07/427591807.db2.gz YJHUXGYSEXDZPE-QGZVFWFLSA-N 0 3 323.339 2.676 20 10 DFCDHN Cc1cccc(CN[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000271900555 427592051 /nfs/dbraw/zinc/59/20/51/427592051.db2.gz VNFNRGKNEPWACN-KRWDZBQOSA-N 0 3 310.397 2.591 20 10 DFCDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000185114824 427595796 /nfs/dbraw/zinc/59/57/96/427595796.db2.gz JIZIAVXNAGRYTL-TZMCWYRMSA-N 0 3 312.841 2.543 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)c([O-])c1 ZINC000185100297 427595849 /nfs/dbraw/zinc/59/58/49/427595849.db2.gz URQXGCMPRZEXDL-ZDUSSCGKSA-N 0 3 316.376 2.920 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c([O-])c1 ZINC000185100274 427597203 /nfs/dbraw/zinc/59/72/03/427597203.db2.gz URQXGCMPRZEXDL-CYBMUJFWSA-N 0 3 316.376 2.920 20 10 DFCDHN CC(C)C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271940783 427597391 /nfs/dbraw/zinc/59/73/91/427597391.db2.gz BQZYGRBDDSFUJP-KGLIPLIRSA-N 0 3 307.390 2.804 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000192939157 427637781 /nfs/dbraw/zinc/63/77/81/427637781.db2.gz NNZPQZNTGHEWRW-ZFWWWQNUSA-N 0 3 309.406 2.637 20 10 DFCDHN CCn1nccc1C1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000279398155 427661374 /nfs/dbraw/zinc/66/13/74/427661374.db2.gz KURCBTOQIKLDRZ-UHFFFAOYSA-N 0 3 315.417 2.997 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294861499 427662681 /nfs/dbraw/zinc/66/26/81/427662681.db2.gz TWVDUDVHROZSBD-CQSZACIVSA-N 0 3 304.434 2.814 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294861499 427662690 /nfs/dbraw/zinc/66/26/90/427662690.db2.gz TWVDUDVHROZSBD-CQSZACIVSA-N 0 3 304.434 2.814 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000185502736 427663144 /nfs/dbraw/zinc/66/31/44/427663144.db2.gz FVTWFQNSOJRBHE-WFASDCNBSA-N 0 3 302.418 2.542 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@@H](c2cccnc2)C1 ZINC000295002132 427669966 /nfs/dbraw/zinc/66/99/66/427669966.db2.gz LMWXUTPFRWRUMY-DOTOQJQBSA-N 0 3 302.349 2.936 20 10 DFCDHN CCc1nn(C)c(OC)c1CN[C@@H](C)c1ccc(C)cc1O ZINC000185866954 427721354 /nfs/dbraw/zinc/72/13/54/427721354.db2.gz JZXDPRDKRFOUEM-LBPRGKRZSA-N 0 3 303.406 2.856 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc(F)ccc1[O-] ZINC000185813294 427710526 /nfs/dbraw/zinc/71/05/26/427710526.db2.gz MKMMTPCZHSYABZ-MLGOLLRUSA-N 0 3 314.360 2.987 20 10 DFCDHN C[C@@H]1OCC[C@@]12CN(Cc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000279734269 427717550 /nfs/dbraw/zinc/71/75/50/427717550.db2.gz JXMUTKDESBUZLT-RVKKMQEKSA-N 0 3 304.434 2.521 20 10 DFCDHN CCO[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000194460439 427743852 /nfs/dbraw/zinc/74/38/52/427743852.db2.gz RTNYSATZAHSVQW-SFHVURJKSA-N 0 3 315.369 2.988 20 10 DFCDHN C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Cl)ccc1[O-] ZINC000369567882 428001608 /nfs/dbraw/zinc/00/16/08/428001608.db2.gz UWBJFXRTWDRWBR-CYBMUJFWSA-N 0 3 324.852 2.731 20 10 DFCDHN C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)ccc1[O-] ZINC000369567882 428001611 /nfs/dbraw/zinc/00/16/11/428001611.db2.gz UWBJFXRTWDRWBR-CYBMUJFWSA-N 0 3 324.852 2.731 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(Nc2cccnn2)CC1 ZINC000369618037 428018755 /nfs/dbraw/zinc/01/87/55/428018755.db2.gz UNIMAGPCVIJYQI-INIZCTEOSA-N 0 3 312.417 3.210 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@@H]2Cn2cncn2)cc1 ZINC000359977066 428100534 /nfs/dbraw/zinc/10/05/34/428100534.db2.gz JHIBXZCKVDPAJZ-GOSISDBHSA-N 0 3 313.449 2.789 20 10 DFCDHN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000370728449 428286767 /nfs/dbraw/zinc/28/67/67/428286767.db2.gz AUNWIWUOVCJLDB-LLVKDONJSA-N 0 3 322.206 2.525 20 10 DFCDHN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000370728449 428286772 /nfs/dbraw/zinc/28/67/72/428286772.db2.gz AUNWIWUOVCJLDB-LLVKDONJSA-N 0 3 322.206 2.525 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC[C@H]2N2CCOCC2)c1 ZINC000371868797 428407023 /nfs/dbraw/zinc/40/70/23/428407023.db2.gz CCNGNPCDWIPUKO-LZLYRXPVSA-N 0 3 318.461 2.852 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(c3nccc(C)n3)CC2)c1 ZINC000371889203 428408542 /nfs/dbraw/zinc/40/85/42/428408542.db2.gz WFYRGJCYGFOCHW-UHFFFAOYSA-N 0 3 313.401 2.879 20 10 DFCDHN COc1ccc(O)c(CN2CCC(c3nccc(C)n3)CC2)c1 ZINC000371889203 428408547 /nfs/dbraw/zinc/40/85/47/428408547.db2.gz WFYRGJCYGFOCHW-UHFFFAOYSA-N 0 3 313.401 2.879 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000372500507 428455192 /nfs/dbraw/zinc/45/51/92/428455192.db2.gz CFRAAXOQMJLJNF-GDBMZVCRSA-N 0 3 302.418 2.834 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000372500507 428455197 /nfs/dbraw/zinc/45/51/97/428455197.db2.gz CFRAAXOQMJLJNF-GDBMZVCRSA-N 0 3 302.418 2.834 20 10 DFCDHN CN1CCc2cc(CN[C@@H]3CN(C)Cc4ccccc43)ccc21 ZINC000372979261 428511007 /nfs/dbraw/zinc/51/10/07/428511007.db2.gz UCYCXMUUVTYKHV-LJQANCHMSA-N 0 3 307.441 2.955 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000373227921 428525006 /nfs/dbraw/zinc/52/50/06/428525006.db2.gz KXHJOESJYLTJNU-CQSZACIVSA-N 0 3 315.417 2.904 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000373227921 428525009 /nfs/dbraw/zinc/52/50/09/428525009.db2.gz KXHJOESJYLTJNU-CQSZACIVSA-N 0 3 315.417 2.904 20 10 DFCDHN CCc1nc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000361055785 428532401 /nfs/dbraw/zinc/53/24/01/428532401.db2.gz XFNNWPSZFURYLT-LLVKDONJSA-N 0 3 305.353 2.856 20 10 DFCDHN CCc1nc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000361055785 428532405 /nfs/dbraw/zinc/53/24/05/428532405.db2.gz XFNNWPSZFURYLT-LLVKDONJSA-N 0 3 305.353 2.856 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])n1 ZINC000361050122 428532515 /nfs/dbraw/zinc/53/25/15/428532515.db2.gz FUJBLDRBVYJREO-INIZCTEOSA-N 0 3 318.396 2.794 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])n1 ZINC000361050122 428532519 /nfs/dbraw/zinc/53/25/19/428532519.db2.gz FUJBLDRBVYJREO-INIZCTEOSA-N 0 3 318.396 2.794 20 10 DFCDHN CCOc1cccc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000373638012 428623734 /nfs/dbraw/zinc/62/37/34/428623734.db2.gz LUMSXLRAUXZKGJ-KDOFPFPSSA-N 0 3 321.417 2.561 20 10 DFCDHN Cc1nc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)oc1C ZINC000374901796 428780498 /nfs/dbraw/zinc/78/04/98/428780498.db2.gz XDZJIODDIZZDRV-UHFFFAOYSA-N 0 3 315.417 2.705 20 10 DFCDHN Cc1nc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)oc1C ZINC000374901796 428780504 /nfs/dbraw/zinc/78/05/04/428780504.db2.gz XDZJIODDIZZDRV-UHFFFAOYSA-N 0 3 315.417 2.705 20 10 DFCDHN O=C1C[C@@H]([NH2+]Cc2ccccc2[O-])CN1c1ccccc1Cl ZINC000363618011 428955875 /nfs/dbraw/zinc/95/58/75/428955875.db2.gz NGGSGOVVCNEWJG-CYBMUJFWSA-N 0 3 316.788 2.941 20 10 DFCDHN Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C2 ZINC000363854786 429000089 /nfs/dbraw/zinc/00/00/89/429000089.db2.gz ADVIEVZWWLQCIP-HZMBPMFUSA-N 0 3 301.365 2.838 20 10 DFCDHN C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000363863131 429000486 /nfs/dbraw/zinc/00/04/86/429000486.db2.gz JZWRYUJSIVGAJV-LBPRGKRZSA-N 0 3 301.361 2.712 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1 ZINC000363855813 429001102 /nfs/dbraw/zinc/00/11/02/429001102.db2.gz BEVMJDAMNJCZDP-ZDUSSCGKSA-N 0 3 324.384 2.832 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1 ZINC000376520424 429128186 /nfs/dbraw/zinc/12/81/86/429128186.db2.gz KMXSTEVSEQIWNQ-CZUORRHYSA-N 0 3 315.417 2.618 20 10 DFCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000376520424 429128190 /nfs/dbraw/zinc/12/81/90/429128190.db2.gz KMXSTEVSEQIWNQ-CZUORRHYSA-N 0 3 315.417 2.618 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000363910104 429139347 /nfs/dbraw/zinc/13/93/47/429139347.db2.gz UGENOJRGMCGPKA-NEPJUHHUSA-N 0 3 311.809 2.913 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000363910104 429139353 /nfs/dbraw/zinc/13/93/53/429139353.db2.gz UGENOJRGMCGPKA-NEPJUHHUSA-N 0 3 311.809 2.913 20 10 DFCDHN COc1cc(O)c(CN2CCC[C@@H](OCC3CC3)C2)cc1OC ZINC000364478356 429210166 /nfs/dbraw/zinc/21/01/66/429210166.db2.gz USDTVOSZECKJOZ-OAHLLOKOSA-N 0 3 321.417 2.800 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1[C@@H](CC)c1ccccc1[O-] ZINC000367297964 429614889 /nfs/dbraw/zinc/61/48/89/429614889.db2.gz AUKLULRWVWGVGN-DZKIICNBSA-N 0 3 321.417 2.886 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1[C@@H](CC)c1ccccc1[O-] ZINC000367297964 429614892 /nfs/dbraw/zinc/61/48/92/429614892.db2.gz AUKLULRWVWGVGN-DZKIICNBSA-N 0 3 321.417 2.886 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000367307211 429617823 /nfs/dbraw/zinc/61/78/23/429617823.db2.gz FXCPKJSTDMKNQC-INIZCTEOSA-N 0 3 312.417 2.846 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(c2ncccn2)CC1 ZINC000367307211 429617827 /nfs/dbraw/zinc/61/78/27/429617827.db2.gz FXCPKJSTDMKNQC-INIZCTEOSA-N 0 3 312.417 2.846 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c([O-])c1C ZINC000367439160 429647789 /nfs/dbraw/zinc/64/77/89/429647789.db2.gz RXDCPNRGPWCYII-MJEQTWJJSA-N 0 3 302.418 2.717 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000367604896 429685859 /nfs/dbraw/zinc/68/58/59/429685859.db2.gz CCRNWUIHNILNIE-GOSISDBHSA-N 0 3 317.360 2.633 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000367604896 429685864 /nfs/dbraw/zinc/68/58/64/429685864.db2.gz CCRNWUIHNILNIE-GOSISDBHSA-N 0 3 317.360 2.633 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1C ZINC000367669261 429696266 /nfs/dbraw/zinc/69/62/66/429696266.db2.gz RLVCVUHQEPZLJF-AWEZNQCLSA-N 0 3 312.417 2.761 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1C ZINC000367669261 429696270 /nfs/dbraw/zinc/69/62/70/429696270.db2.gz RLVCVUHQEPZLJF-AWEZNQCLSA-N 0 3 312.417 2.761 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c([O-])c1 ZINC000368136248 429794666 /nfs/dbraw/zinc/79/46/66/429794666.db2.gz UGDBREWEWAHEEB-HNNXBMFYSA-N 0 3 315.417 2.904 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)c([O-])c1 ZINC000368136248 429794670 /nfs/dbraw/zinc/79/46/70/429794670.db2.gz UGDBREWEWAHEEB-HNNXBMFYSA-N 0 3 315.417 2.904 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000528001316 429833935 /nfs/dbraw/zinc/83/39/35/429833935.db2.gz OZPKNAATFOFUDG-BDJLRTHQSA-N 0 3 312.369 2.615 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000368795011 429894485 /nfs/dbraw/zinc/89/44/85/429894485.db2.gz DHCCBGLNVYDVPH-FUHWJXTLSA-N 0 3 317.477 2.555 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000368795011 429894487 /nfs/dbraw/zinc/89/44/87/429894487.db2.gz DHCCBGLNVYDVPH-FUHWJXTLSA-N 0 3 317.477 2.555 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@H](c3nccn3C)C2)cc1F ZINC000368596067 429875453 /nfs/dbraw/zinc/87/54/53/429875453.db2.gz ZLIRPHIBGGIQRT-AWEZNQCLSA-N 0 3 302.397 2.615 20 10 DFCDHN CN(C)c1ccc(CNC2(CO)Cc3ccccc3C2)cc1F ZINC000369377723 429934163 /nfs/dbraw/zinc/93/41/63/429934163.db2.gz MOSDUKNHFMMTDO-UHFFFAOYSA-N 0 3 314.404 2.511 20 10 DFCDHN COc1cccc([C@@H](C[NH2+]Cc2cc(OC)ccc2[O-])OC)c1 ZINC000529640593 430045900 /nfs/dbraw/zinc/04/59/00/430045900.db2.gz VUXLPFQSAUYTIP-GOSISDBHSA-N 0 3 317.385 2.887 20 10 DFCDHN CCOc1ccc(O)c(CNc2ccc3c(c2)OCCNC3)c1 ZINC000530182650 430100809 /nfs/dbraw/zinc/10/08/09/430100809.db2.gz XOYKJGIBIVJHOC-UHFFFAOYSA-N 0 3 314.385 2.885 20 10 DFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CCO)c1[O-] ZINC000187227215 280307811 /nfs/dbraw/zinc/30/78/11/280307811.db2.gz MBFGIFMBRAXOKH-UWVGGRQHSA-N 0 3 302.212 2.885 20 10 DFCDHN CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297791319 282009237 /nfs/dbraw/zinc/00/92/37/282009237.db2.gz PYLFXYULFBWDML-KRWDZBQOSA-N 0 3 324.424 2.914 20 10 DFCDHN Cc1cc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)ccc1N(C)C ZINC000294029188 301276384 /nfs/dbraw/zinc/27/63/84/301276384.db2.gz HXVHAIKWESBVEA-BXWFABGCSA-N 0 3 318.461 2.829 20 10 DFCDHN CC[NH+](CC)[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000102827168 332943256 /nfs/dbraw/zinc/94/32/56/332943256.db2.gz SUTWWDXQQDYDDV-OAHLLOKOSA-N 0 3 308.397 2.650 20 10 DFCDHN COC[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293563371 335109155 /nfs/dbraw/zinc/10/91/55/335109155.db2.gz CYLQNARAWVORLC-FUHWJXTLSA-N 0 3 315.413 2.663 20 10 DFCDHN COc1ccc(O)c(CN[C@@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293773961 335113579 /nfs/dbraw/zinc/11/35/79/335113579.db2.gz YUVVECXWDBFWJR-KRWDZBQOSA-N 0 3 316.401 2.645 20 10 DFCDHN CC[C@H](COCC(F)(F)F)[NH2+]Cc1cccc(OC)c1[O-] ZINC000294692750 335125303 /nfs/dbraw/zinc/12/53/03/335125303.db2.gz BVOGDFZIUVINCN-LLVKDONJSA-N 0 3 307.312 2.848 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1[O-] ZINC000294692970 335125329 /nfs/dbraw/zinc/12/53/29/335125329.db2.gz BWWZXHYGNSBFMQ-INIZCTEOSA-N 0 3 319.376 2.623 20 10 DFCDHN CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000185190035 333205224 /nfs/dbraw/zinc/20/52/24/333205224.db2.gz UCNZYXMKJHNQKY-HIFRSBDPSA-N 0 3 307.390 2.804 20 10 DFCDHN C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc2c(cc1[O-])CCCC2 ZINC000185639058 333211287 /nfs/dbraw/zinc/21/12/87/333211287.db2.gz PRZSGRKQLYNXRG-PXAZEXFGSA-N 0 3 307.459 2.790 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]CC[C@H](C)CCO)c1[O-] ZINC000295209189 335130875 /nfs/dbraw/zinc/13/08/75/335130875.db2.gz ZULSCALYTLYUQV-JTQLQIEISA-N 0 3 316.239 2.961 20 10 DFCDHN CN(C)[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1cccs1 ZINC000063255935 333446859 /nfs/dbraw/zinc/44/68/59/333446859.db2.gz CWHPPLDZDIVPQE-LBPRGKRZSA-N 0 3 320.414 2.575 20 10 DFCDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1Cc1ccccc1 ZINC000296964154 335150449 /nfs/dbraw/zinc/15/04/49/335150449.db2.gz RHQCJLJGXMDYMT-IAGOWNOFSA-N 0 3 322.408 2.770 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCO[C@@H]2C(C)C)cc1OC ZINC000275630293 334072256 /nfs/dbraw/zinc/07/22/56/334072256.db2.gz SHPIKXWWVOUSOC-SJKOYZFVSA-N 0 3 309.406 2.560 20 10 DFCDHN C[C@@H](N[C@@H](C)C(=O)NCCF)c1ccc(N2CCCCC2)cc1 ZINC000282835869 334137561 /nfs/dbraw/zinc/13/75/61/334137561.db2.gz SLTZDURWIJXEML-CABCVRRESA-N 0 3 321.440 2.802 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c1[O-] ZINC000366927045 335372727 /nfs/dbraw/zinc/37/27/27/335372727.db2.gz VKJVZOYVKPRWGS-DZGCQCFKSA-N 0 3 308.809 2.501 20 10 DFCDHN Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3[O-])C2)nc(C)n1 ZINC000360097003 336701721 /nfs/dbraw/zinc/70/17/21/336701721.db2.gz WIQHINFSVAJWPM-MRXNPFEDSA-N 0 3 312.417 2.558 20 10 DFCDHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2[O-])CC(=O)N1Cc1ccccc1 ZINC000368558920 336847661 /nfs/dbraw/zinc/84/76/61/336847661.db2.gz YURCMIZJCAJBDV-PBHICJAKSA-N 0 3 310.397 2.671 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1ccccc1[O-] ZINC000373459542 336961097 /nfs/dbraw/zinc/96/10/97/336961097.db2.gz MBAZGJGBRMWEQX-ZBFHGGJFSA-N 0 3 312.417 2.892 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000373599865 336966218 /nfs/dbraw/zinc/96/62/18/336966218.db2.gz ZWARHRYQFDWMJU-INIZCTEOSA-N 0 3 302.418 2.834 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCc2nnc(C)n2C1)c1ccc(C)cc1[O-] ZINC000373853001 336974556 /nfs/dbraw/zinc/97/45/56/336974556.db2.gz WPFINXCKAFCLDO-HIFRSBDPSA-N 0 3 300.406 2.656 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1ccc(C)cc1[O-] ZINC000374506245 336991022 /nfs/dbraw/zinc/99/10/22/336991022.db2.gz PPNXMAIYZTXOKX-ARFHVFGLSA-N 0 3 302.418 2.895 20 10 DFCDHN COc1cccc(C[NH2+]C[C@H]2Cc3ccccc3N(C)C2)c1[O-] ZINC000375276307 337007096 /nfs/dbraw/zinc/00/70/96/337007096.db2.gz ROIFVBAAMJPMTF-CQSZACIVSA-N 0 3 312.413 2.799 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375400017 337010242 /nfs/dbraw/zinc/01/02/42/337010242.db2.gz DJQTVKVZFNXWSN-LBPRGKRZSA-N 0 3 315.373 2.651 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375400017 337010243 /nfs/dbraw/zinc/01/02/43/337010243.db2.gz DJQTVKVZFNXWSN-LBPRGKRZSA-N 0 3 315.373 2.651 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000376503805 337035277 /nfs/dbraw/zinc/03/52/77/337035277.db2.gz DAJAXONNSUIZQO-ZDUSSCGKSA-N 0 3 309.381 2.549 20 10 DFCDHN CN1CC[C@@H](C[N@H+](C)Cc2ccccc2[O-])[C@@H]1c1cccnc1 ZINC000376681166 337039568 /nfs/dbraw/zinc/03/95/68/337039568.db2.gz PYOZPVKBBZNAHY-HKUYNNGSSA-N 0 3 311.429 2.912 20 10 DFCDHN CN1CC[C@@H](C[N@@H+](C)Cc2ccccc2[O-])[C@@H]1c1cccnc1 ZINC000376681166 337039569 /nfs/dbraw/zinc/03/95/69/337039569.db2.gz PYOZPVKBBZNAHY-HKUYNNGSSA-N 0 3 311.429 2.912 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)c([O-])c1 ZINC000376894157 337043302 /nfs/dbraw/zinc/04/33/02/337043302.db2.gz RORXJHWZLGRMGA-ARFHVFGLSA-N 0 3 304.434 2.605 20 10 DFCDHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000376940820 337043835 /nfs/dbraw/zinc/04/38/35/337043835.db2.gz KNIXGWYKOAEPED-CVEARBPZSA-N 0 3 321.417 2.552 20 10 DFCDHN CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000376940820 337043836 /nfs/dbraw/zinc/04/38/36/337043836.db2.gz KNIXGWYKOAEPED-CVEARBPZSA-N 0 3 321.417 2.552 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3c[nH]cn3)CC2)c1 ZINC000377231193 337048969 /nfs/dbraw/zinc/04/89/69/337048969.db2.gz IKMXCFHOEYWPIM-UHFFFAOYSA-N 0 3 301.390 2.894 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000377704621 337059121 /nfs/dbraw/zinc/05/91/21/337059121.db2.gz RSMBWYPLLYZATI-HOTGVXAUSA-N 0 3 314.433 2.566 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCN(C)[C@H](c2nccn2C)C1 ZINC000377704621 337059122 /nfs/dbraw/zinc/05/91/22/337059122.db2.gz RSMBWYPLLYZATI-HOTGVXAUSA-N 0 3 314.433 2.566 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c1 ZINC000194261882 337088410 /nfs/dbraw/zinc/08/84/10/337088410.db2.gz VSCBBOQRJYDLBJ-AEFFLSMTSA-N 0 3 319.493 2.623 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1ccccc1[O-] ZINC000194260243 337089219 /nfs/dbraw/zinc/08/92/19/337089219.db2.gz STYZXLPFWSTTCQ-MSOLQXFVSA-N 0 3 319.493 2.705 20 10 DFCDHN Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3[O-])CC2)no1 ZINC000179564002 337170299 /nfs/dbraw/zinc/17/02/99/337170299.db2.gz QUZSFYOVAFYIDR-UHFFFAOYSA-N 0 3 315.373 2.539 20 10 DFCDHN Cc1nc(C[C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000180048913 337173392 /nfs/dbraw/zinc/17/33/92/337173392.db2.gz PVQHNVPCHVLYRH-GFCCVEGCSA-N 0 3 305.353 2.677 20 10 DFCDHN Cc1nc(C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000180048913 337173393 /nfs/dbraw/zinc/17/33/93/337173393.db2.gz PVQHNVPCHVLYRH-GFCCVEGCSA-N 0 3 305.353 2.677 20 10 DFCDHN Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184732036 337199287 /nfs/dbraw/zinc/19/92/87/337199287.db2.gz RTVKCWJNRJLZBP-ZDUSSCGKSA-N 0 3 303.381 2.720 20 10 DFCDHN Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184732036 337199288 /nfs/dbraw/zinc/19/92/88/337199288.db2.gz RTVKCWJNRJLZBP-ZDUSSCGKSA-N 0 3 303.381 2.720 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cc(F)ccc1[O-] ZINC000185687960 337250122 /nfs/dbraw/zinc/25/01/22/337250122.db2.gz BUURUPJAOQDZKV-YPMHNXCESA-N 0 3 319.355 2.995 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2c3ccccc3C(=O)N2C)cc1C ZINC000527808859 337765483 /nfs/dbraw/zinc/76/54/83/337765483.db2.gz RIHQIUFUURFMOS-KRWDZBQOSA-N 0 3 310.397 2.926 20 10 DFCDHN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(N(C)C)cc1 ZINC000235464073 340660005 /nfs/dbraw/zinc/66/00/05/340660005.db2.gz MXQKDLCSFFCHIM-CYBMUJFWSA-N 0 3 307.438 2.755 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCCc3c2cnn3C)c1 ZINC000273419095 341635723 /nfs/dbraw/zinc/63/57/23/341635723.db2.gz RTYQTGIYXPZVFR-IAQYHMDHSA-N 0 3 301.390 2.863 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1[O-] ZINC000129150974 518286264 /nfs/dbraw/zinc/28/62/64/518286264.db2.gz BZFXTLZLVUWSMC-CXAGYDPISA-N 0 3 320.408 2.650 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[O-] ZINC000129150974 518286272 /nfs/dbraw/zinc/28/62/72/518286272.db2.gz BZFXTLZLVUWSMC-CXAGYDPISA-N 0 3 320.408 2.650 20 10 DFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C)CC1 ZINC000266198001 519655087 /nfs/dbraw/zinc/65/50/87/519655087.db2.gz YJGFVMSSPIYDAF-UHFFFAOYSA-N 0 3 317.477 2.831 20 10 DFCDHN CCCNC(=O)C1CC[NH+](Cc2cc(OCC)ccc2[O-])CC1 ZINC000179922983 519867158 /nfs/dbraw/zinc/86/71/58/519867158.db2.gz AWUPPAVDDPIWLM-UHFFFAOYSA-N 0 3 320.433 2.529 20 10 DFCDHN CCOCCOCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000191568214 519993783 /nfs/dbraw/zinc/99/37/83/519993783.db2.gz VCAAYTLLRRJNGV-UHFFFAOYSA-N 0 3 301.814 2.839 20 10 DFCDHN CCOCCOCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000191568214 519993824 /nfs/dbraw/zinc/99/38/24/519993824.db2.gz VCAAYTLLRRJNGV-UHFFFAOYSA-N 0 3 301.814 2.839 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC)c([O-])c1 ZINC000179894251 520347400 /nfs/dbraw/zinc/34/74/00/520347400.db2.gz ZEXWTCLMWHJWBH-CQSZACIVSA-N 0 3 307.390 2.709 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)OC)c([O-])c1 ZINC000179894251 520347408 /nfs/dbraw/zinc/34/74/08/520347408.db2.gz ZEXWTCLMWHJWBH-CQSZACIVSA-N 0 3 307.390 2.709 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC(C(=O)N(C)C)CC2)cc1 ZINC000162625656 520892829 /nfs/dbraw/zinc/89/28/29/520892829.db2.gz GZYXPGDZEQBJOI-UHFFFAOYSA-N 0 3 317.477 2.833 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000157817056 521364521 /nfs/dbraw/zinc/36/45/21/521364521.db2.gz CCCADAHUWGHDQF-GOSISDBHSA-N 0 3 319.376 2.927 20 10 DFCDHN COC(=O)c1ccccc1OCC[N@H+](C)Cc1ccccc1[O-] ZINC000182334489 522287241 /nfs/dbraw/zinc/28/72/41/522287241.db2.gz INDXQSXPILQAAL-UHFFFAOYSA-N 0 3 315.369 2.690 20 10 DFCDHN COC(=O)c1ccccc1OCC[N@@H+](C)Cc1ccccc1[O-] ZINC000182334489 522287250 /nfs/dbraw/zinc/28/72/50/522287250.db2.gz INDXQSXPILQAAL-UHFFFAOYSA-N 0 3 315.369 2.690 20 10 DFCDHN COC[C@H](CCO)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269015761 522677639 /nfs/dbraw/zinc/67/76/39/522677639.db2.gz ODNUYPBRIWRLOT-RDJZCZTQSA-N 0 3 306.450 2.725 20 10 DFCDHN CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000190432512 523563079 /nfs/dbraw/zinc/56/30/79/523563079.db2.gz MTIQBAIWCIBEON-HOCLYGCPSA-N 0 3 319.380 2.758 20 10 DFCDHN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000191694728 523899410 /nfs/dbraw/zinc/89/94/10/523899410.db2.gz YRBKGAWKHPHYFH-VHSXEESVSA-N 0 3 302.212 2.976 20 10 DFCDHN COCCO[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000188825113 524032725 /nfs/dbraw/zinc/03/27/25/524032725.db2.gz OQXLTQNVVRPSLU-LJQANCHMSA-N 0 3 318.461 2.914 20 10 DFCDHN COc1ccc(CN[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1C ZINC000365660465 524084598 /nfs/dbraw/zinc/08/45/98/524084598.db2.gz GFEHBEDQQWYRDD-MSOLQXFVSA-N 0 3 319.445 2.803 20 10 DFCDHN Cc1cccc(CN2CCN(c3ccc(F)cn3)CC2)c1O ZINC000367720455 524399805 /nfs/dbraw/zinc/39/98/05/524399805.db2.gz LQBFBKUKHADLTB-UHFFFAOYSA-N 0 3 301.365 2.557 20 10 DFCDHN Cc1cccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000158107811 524433073 /nfs/dbraw/zinc/43/30/73/524433073.db2.gz MZDPUVSAQWAHDF-LBPRGKRZSA-N 0 3 302.340 2.674 20 10 DFCDHN COc1ccc(O)c(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000180218286 524733587 /nfs/dbraw/zinc/73/35/87/524733587.db2.gz OAVWFQIURGWYKZ-GFCCVEGCSA-N 0 3 324.421 2.746 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(Nc3cccnn3)CC2)cc1C ZINC000156469245 525314957 /nfs/dbraw/zinc/31/49/57/525314957.db2.gz URWRUEOEPXGODW-UHFFFAOYSA-N 0 3 312.417 2.876 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000264972516 525349177 /nfs/dbraw/zinc/34/91/77/525349177.db2.gz RBXXSBUVNBNIAM-HNNXBMFYSA-N 0 3 303.377 2.781 20 10 DFCDHN C[C@H](NC[C@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156451247 525414318 /nfs/dbraw/zinc/41/43/18/525414318.db2.gz GLINZNJRGXWMTP-GOEBONIOSA-N 0 3 322.424 2.882 20 10 DFCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000130364447 526362888 /nfs/dbraw/zinc/36/28/88/526362888.db2.gz QQPZEFWTUHFQSA-CYBMUJFWSA-N 0 3 324.852 2.636 20 10 DFCDHN [O-]c1cccc(Cl)c1C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000130364447 526362892 /nfs/dbraw/zinc/36/28/92/526362892.db2.gz QQPZEFWTUHFQSA-CYBMUJFWSA-N 0 3 324.852 2.636 20 10 DFCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)[C@@]12CCCO2 ZINC000272690521 535411821 /nfs/dbraw/zinc/41/18/21/535411821.db2.gz PIWXJNNKTFMECV-KURKYZTESA-N 0 3 304.434 2.569 20 10 DFCDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC)c2[O-])C[C@@H]1C ZINC000289450153 535554785 /nfs/dbraw/zinc/55/47/85/535554785.db2.gz NCPDANJGYYEPCM-NWANDNLSSA-N 0 3 321.417 2.858 20 10 DFCDHN CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccccc1[O-] ZINC000274921012 535930558 /nfs/dbraw/zinc/93/05/58/535930558.db2.gz PBKFNYUHIKNPGJ-HHXXYDBFSA-N 0 3 315.413 2.918 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000273391975 536793102 /nfs/dbraw/zinc/79/31/02/536793102.db2.gz LAJQLBRXPJCBLC-KBPBESRZSA-N 0 3 320.433 2.561 20 10 DFCDHN CNC(=O)CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000074723745 185013005 /nfs/dbraw/zinc/01/30/05/185013005.db2.gz VNARDIDGJOOKHM-UHFFFAOYSA-N 0 3 312.413 2.894 20 10 DFCDHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092707917 185335548 /nfs/dbraw/zinc/33/55/48/185335548.db2.gz FIVBMYBTIOVKAW-OAHLLOKOSA-N 0 3 304.434 2.829 20 10 DFCDHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092707917 185335549 /nfs/dbraw/zinc/33/55/49/185335549.db2.gz FIVBMYBTIOVKAW-OAHLLOKOSA-N 0 3 304.434 2.829 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000092810544 185343060 /nfs/dbraw/zinc/34/30/60/185343060.db2.gz YHTGTVVACHKQRY-UHFFFAOYSA-N 0 3 315.417 2.904 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)cc1C ZINC000093362785 398634304 /nfs/dbraw/zinc/63/43/04/398634304.db2.gz DJJQQPJZSQOCFB-KRWDZBQOSA-N 0 3 316.445 2.986 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1C ZINC000093362785 398634306 /nfs/dbraw/zinc/63/43/06/398634306.db2.gz DJJQQPJZSQOCFB-KRWDZBQOSA-N 0 3 316.445 2.986 20 10 DFCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093898997 398650295 /nfs/dbraw/zinc/65/02/95/398650295.db2.gz NILRZWRTBPENHP-AWEZNQCLSA-N 0 3 312.413 2.873 20 10 DFCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000093898997 398650296 /nfs/dbraw/zinc/65/02/96/398650296.db2.gz NILRZWRTBPENHP-AWEZNQCLSA-N 0 3 312.413 2.873 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000282455983 299359976 /nfs/dbraw/zinc/35/99/76/299359976.db2.gz VIGFOSPLNMCGKY-MQIPJXDCSA-N 0 3 302.418 2.589 20 10 DFCDHN Cc1ccc(O)c(CN2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000093413519 193245323 /nfs/dbraw/zinc/24/53/23/193245323.db2.gz ZIOBTVHAKZGYRI-INIZCTEOSA-N 0 3 311.429 2.974 20 10 DFCDHN COc1ccc([C@@H](CO)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000093415236 193246841 /nfs/dbraw/zinc/24/68/41/193246841.db2.gz FANNISBHTKCQQS-LJQANCHMSA-N 0 3 314.429 2.927 20 10 DFCDHN COc1cccc(C[NH2+]C[C@H](c2cccs2)N(C)C)c1[O-] ZINC000019997119 182175293 /nfs/dbraw/zinc/17/52/93/182175293.db2.gz CHJYDVZWZRDRJL-CYBMUJFWSA-N 0 3 306.431 2.855 20 10 DFCDHN COCC[C@H](NCc1cc(OC)c(OC)cc1O)c1ccco1 ZINC000272545660 130040101 /nfs/dbraw/zinc/04/01/01/130040101.db2.gz QBDWSKKXHTZZOF-ZDUSSCGKSA-N 0 3 321.373 2.870 20 10 DFCDHN CCOc1cccc(C[NH2+][C@@H]2C[C@H](OCC)[C@]23CCCO3)c1[O-] ZINC000273561888 130137539 /nfs/dbraw/zinc/13/75/39/130137539.db2.gz FAUVUZXPPRAWNI-RYRKJORJSA-N 0 3 321.417 2.607 20 10 DFCDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000273595926 130141427 /nfs/dbraw/zinc/14/14/27/130141427.db2.gz QOWHBIVFPPMKND-AWEZNQCLSA-N 0 3 314.429 2.653 20 10 DFCDHN COc1cc(Cl)cc(CN[C@H]2CCCc3c[nH]nc32)c1O ZINC000273811698 130171007 /nfs/dbraw/zinc/17/10/07/130171007.db2.gz ZBFFALUOLZZEOT-LBPRGKRZSA-N 0 3 307.781 2.945 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c([O-])c1C ZINC000274659104 130252736 /nfs/dbraw/zinc/25/27/36/130252736.db2.gz VGUIOTVASGWLKG-NVXWUHKLSA-N 0 3 319.493 2.686 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1[O-] ZINC000275595529 130346063 /nfs/dbraw/zinc/34/60/63/130346063.db2.gz QBHTXFREZQDNSE-ZFWWWQNUSA-N 0 3 321.808 2.707 20 10 DFCDHN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCN1C ZINC000283671832 131012375 /nfs/dbraw/zinc/01/23/75/131012375.db2.gz GGTOKQNNVZJCCD-INIZCTEOSA-N 0 3 319.449 2.798 20 10 DFCDHN C[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000284402557 131076982 /nfs/dbraw/zinc/07/69/82/131076982.db2.gz PTPVNARGGRMEMY-QRTARXTBSA-N 0 3 308.466 2.561 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c([O-])c1 ZINC000284966632 131127248 /nfs/dbraw/zinc/12/72/48/131127248.db2.gz FQPCWQJVBBPNJE-CYBMUJFWSA-N 0 3 311.447 2.627 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1[O-] ZINC000286820118 131251225 /nfs/dbraw/zinc/25/12/25/131251225.db2.gz KIJBQRGQLLBCIA-PXAZEXFGSA-N 0 3 320.408 2.793 20 10 DFCDHN C[C@@H](NCC1=CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286980311 131259107 /nfs/dbraw/zinc/25/91/07/131259107.db2.gz IZNPKCULWRPNOH-CQSZACIVSA-N 0 3 320.408 2.660 20 10 DFCDHN CN(C)c1ccccc1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000288622713 131333473 /nfs/dbraw/zinc/33/34/73/131333473.db2.gz OOFNOFMBAYQJLN-UHFFFAOYSA-N 0 3 314.385 2.819 20 10 DFCDHN COCCC[N@H+](Cc1ccncc1)Cc1cc(F)ccc1[O-] ZINC000289469139 131388633 /nfs/dbraw/zinc/38/86/33/131388633.db2.gz PHUZMWZESLWEIJ-UHFFFAOYSA-N 0 3 304.365 2.965 20 10 DFCDHN COCCC[N@@H+](Cc1ccncc1)Cc1cc(F)ccc1[O-] ZINC000289469139 131388634 /nfs/dbraw/zinc/38/86/34/131388634.db2.gz PHUZMWZESLWEIJ-UHFFFAOYSA-N 0 3 304.365 2.965 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289520878 131392883 /nfs/dbraw/zinc/39/28/83/131392883.db2.gz HBOFSNLOBSRWPH-CYBMUJFWSA-N 0 3 307.287 2.811 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289520878 131392886 /nfs/dbraw/zinc/39/28/86/131392886.db2.gz HBOFSNLOBSRWPH-CYBMUJFWSA-N 0 3 307.287 2.811 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCCC[C@H]2CCC(=O)NC)c1[O-] ZINC000289597037 131399423 /nfs/dbraw/zinc/39/94/23/131399423.db2.gz KSBIRXSFJSBLNV-HNNXBMFYSA-N 0 3 320.433 2.672 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCCC[C@H]2CCC(=O)NC)c1[O-] ZINC000289597037 131399424 /nfs/dbraw/zinc/39/94/24/131399424.db2.gz KSBIRXSFJSBLNV-HNNXBMFYSA-N 0 3 320.433 2.672 20 10 DFCDHN CC[C@@H](C)N(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230934334 542893350 /nfs/dbraw/zinc/89/33/50/542893350.db2.gz IHOIGBPZHNSJIM-LLVKDONJSA-N 0 3 300.830 2.874 20 10 DFCDHN Cc1cc([C@](C)(O)CNCc2ccc(N(C)C)cc2)c(C)o1 ZINC000174441706 426256951 /nfs/dbraw/zinc/25/69/51/426256951.db2.gz MWIAEAFXZNFDHV-GOSISDBHSA-N 0 3 302.418 2.960 20 10 DFCDHN COc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000151451811 426296434 /nfs/dbraw/zinc/29/64/34/426296434.db2.gz MSUQQTGWNXIDGD-BBRMVZONSA-N 0 3 309.431 2.545 20 10 DFCDHN CC[C@@H](N[C@@H]1CCN(C(C)C)C1=O)c1ccc(N(C)C)cc1 ZINC000089728992 426304576 /nfs/dbraw/zinc/30/45/76/426304576.db2.gz XGQSWJBZYWGSFF-IAGOWNOFSA-N 0 3 303.450 2.803 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc1C ZINC000151990426 426321165 /nfs/dbraw/zinc/32/11/65/426321165.db2.gz NCPPSGHDJMLXHR-INIZCTEOSA-N 0 3 318.461 2.694 20 10 DFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccccc1F ZINC000121140730 426322515 /nfs/dbraw/zinc/32/25/15/426322515.db2.gz YXCYCAUSPVBNEM-INIZCTEOSA-N 0 3 319.376 2.541 20 10 DFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccccc1F ZINC000121140730 426322518 /nfs/dbraw/zinc/32/25/18/426322518.db2.gz YXCYCAUSPVBNEM-INIZCTEOSA-N 0 3 319.376 2.541 20 10 DFCDHN COc1cccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1[O-] ZINC000092662183 426351412 /nfs/dbraw/zinc/35/14/12/426351412.db2.gz GUJZSSQALVKJEJ-MRXNPFEDSA-N 0 3 321.417 2.561 20 10 DFCDHN CN(C)c1ccc(CN2CCC(n3ccnc3)CC2)cc1F ZINC000122562628 426381197 /nfs/dbraw/zinc/38/11/97/426381197.db2.gz QRKOJUDEFUNIKB-UHFFFAOYSA-N 0 3 302.397 2.925 20 10 DFCDHN CCN1CCN(c2ccc(CNCc3cc[nH]c3)cc2F)CC1 ZINC000176835520 426418140 /nfs/dbraw/zinc/41/81/40/426418140.db2.gz FBIDIIVLBRNBOE-UHFFFAOYSA-N 0 3 316.424 2.586 20 10 DFCDHN C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1[O-] ZINC000154011494 426418953 /nfs/dbraw/zinc/41/89/53/426418953.db2.gz ODEBMCUCQOHDRR-ZDUSSCGKSA-N 0 3 314.385 2.941 20 10 DFCDHN C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1[O-] ZINC000154017358 426420426 /nfs/dbraw/zinc/42/04/26/426420426.db2.gz RIUBBCGYKWNCQL-ZDUSSCGKSA-N 0 3 314.385 2.941 20 10 DFCDHN Cc1ccc(O)c(CN[C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000154691615 426451259 /nfs/dbraw/zinc/45/12/59/426451259.db2.gz UZDSSKHYLFXWAR-IERDGZPVSA-N 0 3 303.427 2.910 20 10 DFCDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cnn(C)c1 ZINC000155313452 426468421 /nfs/dbraw/zinc/46/84/21/426468421.db2.gz CRGVHCUKJXRJHK-LSDHHAIUSA-N 0 3 314.433 2.669 20 10 DFCDHN C[C@@H](O)[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280151412 426507013 /nfs/dbraw/zinc/50/70/13/426507013.db2.gz FHGPOSMFRVFENO-NEPJUHHUSA-N 0 3 316.367 2.974 20 10 DFCDHN CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(C)cc1[O-] ZINC000280207888 426520575 /nfs/dbraw/zinc/52/05/75/426520575.db2.gz TXHQQGMDDLAJMS-SFHVURJKSA-N 0 3 319.493 2.769 20 10 DFCDHN C/C=C/C[C@@H](CO)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186498170 426539786 /nfs/dbraw/zinc/53/97/86/426539786.db2.gz NZICAOLYHPCDLG-WVSRPDOZSA-N 0 3 322.424 2.640 20 10 DFCDHN Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)O)c1[O-] ZINC000187190474 426635827 /nfs/dbraw/zinc/63/58/27/426635827.db2.gz MSLDGERUSYWTNM-VIFPVBQESA-N 0 3 302.212 2.885 20 10 DFCDHN CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000230166565 426645988 /nfs/dbraw/zinc/64/59/88/426645988.db2.gz DGNAUUFRFHWZTN-ZDUSSCGKSA-N 0 3 306.406 2.739 20 10 DFCDHN CCOC(=O)C[C@@](C)([NH2+]Cc1cc(OC)ccc1[O-])C(C)C ZINC000187705885 426686730 /nfs/dbraw/zinc/68/67/30/426686730.db2.gz GDXQZOHXQGSZLO-QGZVFWFLSA-N 0 3 309.406 2.858 20 10 DFCDHN CC[C@H](C[NH2+]Cc1cc(OC)ccc1[O-])NC(=O)OC(C)(C)C ZINC000227720694 426629990 /nfs/dbraw/zinc/62/99/90/426629990.db2.gz NYJLXSDTYHOWIK-CYBMUJFWSA-N 0 3 324.421 2.794 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000290161393 426707540 /nfs/dbraw/zinc/70/75/40/426707540.db2.gz LXKQEWJLMLORBZ-KZULUSFZSA-N 0 3 317.385 2.621 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000290093058 426692475 /nfs/dbraw/zinc/69/24/75/426692475.db2.gz HCSZYOHBYZKZEH-AWEZNQCLSA-N 0 3 303.333 2.633 20 10 DFCDHN Nc1ccc(CC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000237887536 426696690 /nfs/dbraw/zinc/69/66/90/426696690.db2.gz SLTUTIZEIBPYOF-UHFFFAOYSA-N 0 3 323.440 2.546 20 10 DFCDHN CCN(C)c1ccc([C@H](C)NCC2(S(C)(=O)=O)CCC2)cc1 ZINC000280975763 426698414 /nfs/dbraw/zinc/69/84/14/426698414.db2.gz LPINNOVKXSYDBV-AWEZNQCLSA-N 0 3 324.490 2.761 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)CCCn2ccnc2)c1[O-] ZINC000290512891 426782080 /nfs/dbraw/zinc/78/20/80/426782080.db2.gz PRHCRMYYIPGKJR-UHFFFAOYSA-N 0 3 309.797 2.773 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)CCCn2ccnc2)c1[O-] ZINC000290512891 426782083 /nfs/dbraw/zinc/78/20/83/426782083.db2.gz PRHCRMYYIPGKJR-UHFFFAOYSA-N 0 3 309.797 2.773 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)NCc2cnn(CCOC)c2)cc1 ZINC000282475222 426915840 /nfs/dbraw/zinc/91/58/40/426915840.db2.gz GUYONSBBPUQDPX-OAHLLOKOSA-N 0 3 316.449 2.836 20 10 DFCDHN C[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)NCCF ZINC000282650473 426920263 /nfs/dbraw/zinc/92/02/63/426920263.db2.gz LBFWLNWOSKABCZ-ZDUSSCGKSA-N 0 3 316.376 2.623 20 10 DFCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccccc1[O-] ZINC000274960029 426861790 /nfs/dbraw/zinc/86/17/90/426861790.db2.gz WKZFUBUKPXRCRP-LNLFQRSKSA-N 0 3 318.461 2.811 20 10 DFCDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@H]1[C@@H]1CCCO1 ZINC000291001078 426872082 /nfs/dbraw/zinc/87/20/82/426872082.db2.gz AVKRFDLPXCENDD-BBRMVZONSA-N 0 3 305.374 2.510 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c([O-])c1 ZINC000246856660 426872205 /nfs/dbraw/zinc/87/22/05/426872205.db2.gz SHPRJXDXHHDWQA-WBVHZDCISA-N 0 3 323.458 2.887 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c([O-])c1 ZINC000246856660 426872208 /nfs/dbraw/zinc/87/22/08/426872208.db2.gz SHPRJXDXHHDWQA-WBVHZDCISA-N 0 3 323.458 2.887 20 10 DFCDHN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291189844 426881013 /nfs/dbraw/zinc/88/10/13/426881013.db2.gz GMEDHWKJRGRYBK-ZDUSSCGKSA-N 0 3 322.206 2.798 20 10 DFCDHN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291189844 426881018 /nfs/dbraw/zinc/88/10/18/426881018.db2.gz GMEDHWKJRGRYBK-ZDUSSCGKSA-N 0 3 322.206 2.798 20 10 DFCDHN COc1cc(O)c(CN2CCC(F)(F)[C@@H](C)C2)cc1OC ZINC000291463194 426888259 /nfs/dbraw/zinc/88/82/59/426888259.db2.gz DHPQJPHHKFCKCS-JTQLQIEISA-N 0 3 301.333 2.887 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c([O-])c1 ZINC000319803971 426964829 /nfs/dbraw/zinc/96/48/29/426964829.db2.gz HUSZMLBAVPSPCA-XJKSGUPXSA-N 0 3 315.417 2.618 20 10 DFCDHN Cc1ccc(C(=O)NCC[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000296006848 427043639 /nfs/dbraw/zinc/04/36/39/427043639.db2.gz ORJVCGUVEHNVMF-INIZCTEOSA-N 0 3 310.397 2.708 20 10 DFCDHN CO[C@H](C)[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268837703 427135036 /nfs/dbraw/zinc/13/50/36/427135036.db2.gz HBXOQFAGQATOQC-LJISPDSOSA-N 0 3 324.440 2.952 20 10 DFCDHN CC[C@@H](C)c1nc([C@@H](C)NCc2cccc(OC)c2O)n[nH]1 ZINC000277155158 427137154 /nfs/dbraw/zinc/13/71/54/427137154.db2.gz GCWQMRYDAFXBRU-GHMZBOCLSA-N 0 3 304.394 2.883 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H]2C)c1[O-] ZINC000292773253 427198468 /nfs/dbraw/zinc/19/84/68/427198468.db2.gz KQPWKEWGTDPDLW-BXKDBHETSA-N 0 3 300.196 2.730 20 10 DFCDHN Cc1cc(CN2CCS[C@@H]3COCC[C@@H]32)ccc1N(C)C ZINC000292829386 427201399 /nfs/dbraw/zinc/20/13/99/427201399.db2.gz OPWBRTPGTRHMIR-DLBZAZTESA-N 0 3 306.475 2.767 20 10 DFCDHN COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183519549 427284566 /nfs/dbraw/zinc/28/45/66/427284566.db2.gz WRULNFFDCJIWOS-XIKOKIGWSA-N 0 3 317.385 2.794 20 10 DFCDHN C[C@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000183498023 427281709 /nfs/dbraw/zinc/28/17/09/427281709.db2.gz FFZJNQZDQCDMEF-RYUDHWBXSA-N 0 3 323.339 2.761 20 10 DFCDHN C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1[O-] ZINC000183505452 427282010 /nfs/dbraw/zinc/28/20/10/427282010.db2.gz XWSPJOIJJGJACP-PBHICJAKSA-N 0 3 312.413 2.742 20 10 DFCDHN COc1ccc(CN[C@@H](CO)C[C@@H](O)c2ccccc2)cc1C ZINC000269897724 427301324 /nfs/dbraw/zinc/30/13/24/427301324.db2.gz DYLZQFGYLPUNNU-QZTJIDSGSA-N 0 3 315.413 2.578 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]C2CCN(c3cccnn3)CC2)cc1C ZINC000277781114 427315455 /nfs/dbraw/zinc/31/54/55/427315455.db2.gz ZDSYSMIYYQDCIN-UHFFFAOYSA-N 0 3 312.417 2.558 20 10 DFCDHN Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(C)ccc3[O-])C2)n(C)n1 ZINC000277695593 427288562 /nfs/dbraw/zinc/28/85/62/427288562.db2.gz KYXPOZUQEAKLEU-INIZCTEOSA-N 0 3 314.433 2.501 20 10 DFCDHN C[C@@H]1CN(CCC[NH2+]Cc2c([O-])cccc2Cl)CCCO1 ZINC000278017714 427384862 /nfs/dbraw/zinc/38/48/62/427384862.db2.gz WHCCAWRCKYHJOO-CYBMUJFWSA-N 0 3 312.841 2.636 20 10 DFCDHN C[C@@H]1C[N@H+](CCCNCc2c([O-])cccc2Cl)CCCO1 ZINC000278017714 427384870 /nfs/dbraw/zinc/38/48/70/427384870.db2.gz WHCCAWRCKYHJOO-CYBMUJFWSA-N 0 3 312.841 2.636 20 10 DFCDHN C[C@@H]1C[N@@H+](CCCNCc2c([O-])cccc2Cl)CCCO1 ZINC000278017714 427384873 /nfs/dbraw/zinc/38/48/73/427384873.db2.gz WHCCAWRCKYHJOO-CYBMUJFWSA-N 0 3 312.841 2.636 20 10 DFCDHN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000278779722 427449695 /nfs/dbraw/zinc/44/96/95/427449695.db2.gz VKJJSQXRZXPJDI-QGZVFWFLSA-N 0 3 309.406 2.536 20 10 DFCDHN CCC[C@]1(CO)CCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000278779722 427449703 /nfs/dbraw/zinc/44/97/03/427449703.db2.gz VKJJSQXRZXPJDI-QGZVFWFLSA-N 0 3 309.406 2.536 20 10 DFCDHN C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000278784905 427451797 /nfs/dbraw/zinc/45/17/97/427451797.db2.gz ZPTSDQGBICXDJJ-KUHUBIRLSA-N 0 3 313.397 2.689 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000278795752 427454581 /nfs/dbraw/zinc/45/45/81/427454581.db2.gz YXRAEENEHYOIBB-CABCVRRESA-N 0 3 322.449 2.552 20 10 DFCDHN Cc1ccc(O)c(CN2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC000271167587 427428059 /nfs/dbraw/zinc/42/80/59/427428059.db2.gz SYRXYAYDHXTGFS-OAHLLOKOSA-N 0 3 304.434 2.827 20 10 DFCDHN COc1cccc(CN2CCC(C(=O)OC(C)(C)C)CC2)c1O ZINC000271167658 427428734 /nfs/dbraw/zinc/42/87/34/427428734.db2.gz TXEWQACFAHOWJL-UHFFFAOYSA-N 0 3 321.417 2.955 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000271170797 427430469 /nfs/dbraw/zinc/43/04/69/427430469.db2.gz FAPOKCGOEDLCPO-MAUKXSAKSA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000271170797 427430472 /nfs/dbraw/zinc/43/04/72/427430472.db2.gz FAPOKCGOEDLCPO-MAUKXSAKSA-N 0 3 305.418 2.918 20 10 DFCDHN COCCSCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000278552823 427442595 /nfs/dbraw/zinc/44/25/95/427442595.db2.gz UIFGKJXHBOQWNI-UHFFFAOYSA-N 0 3 324.490 2.587 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1ccccc1[O-] ZINC000278545981 427442924 /nfs/dbraw/zinc/44/29/24/427442924.db2.gz VHRGRYPBXYWSRK-HOCLYGCPSA-N 0 3 314.433 2.835 20 10 DFCDHN C[C@H]([NH2+]CCCN(C)C)c1cc(Br)ccc1[O-] ZINC000184841887 427548340 /nfs/dbraw/zinc/54/83/40/427548340.db2.gz JSBYMRYGNQBPCK-JTQLQIEISA-N 0 3 301.228 2.757 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c1 ZINC000192815801 427616556 /nfs/dbraw/zinc/61/65/56/427616556.db2.gz SUGRXFXDRXEEGE-GJZGRUSLSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c([O-])c1 ZINC000184915693 427565580 /nfs/dbraw/zinc/56/55/80/427565580.db2.gz UHHPVVSSJPVAIB-RDJZCZTQSA-N 0 3 306.450 2.708 20 10 DFCDHN CC[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000271688615 427582207 /nfs/dbraw/zinc/58/22/07/427582207.db2.gz JVLVPAXHBBMIMW-INIZCTEOSA-N 0 3 319.426 2.907 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1OC ZINC000271857527 427592556 /nfs/dbraw/zinc/59/25/56/427592556.db2.gz VAXZMUKTZNFTSK-ZDUSSCGKSA-N 0 3 323.433 2.688 20 10 DFCDHN COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185098484 427595011 /nfs/dbraw/zinc/59/50/11/427595011.db2.gz QOWCRUQXHMCUJD-BDJLRTHQSA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000271919758 427598003 /nfs/dbraw/zinc/59/80/03/427598003.db2.gz RRXMDODDJXQBBH-HNNXBMFYSA-N 0 3 303.377 2.781 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c([O-])c1 ZINC000185127843 427600375 /nfs/dbraw/zinc/60/03/75/427600375.db2.gz LGXGAOFDYBJUPD-ZFWWWQNUSA-N 0 3 319.376 2.930 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000185127608 427600422 /nfs/dbraw/zinc/60/04/22/427600422.db2.gz RXWOBUUUQQWZBE-ZFWWWQNUSA-N 0 3 319.376 2.930 20 10 DFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185345001 427637686 /nfs/dbraw/zinc/63/76/86/427637686.db2.gz MDCOEBISWXSQQJ-IRXDYDNUSA-N 0 3 319.493 2.625 20 10 DFCDHN C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cc(F)ccc1[O-] ZINC000185444429 427654588 /nfs/dbraw/zinc/65/45/88/427654588.db2.gz LXXJUOMGUMOQEW-LBPRGKRZSA-N 0 3 308.397 2.831 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000185502755 427664729 /nfs/dbraw/zinc/66/47/29/427664729.db2.gz FVTWFQNSOJRBHE-DOMZBBRYSA-N 0 3 302.418 2.542 20 10 DFCDHN COc1ccc(O)c(CNCc2cnc(OC)c(Cl)c2)c1 ZINC000295007103 427670032 /nfs/dbraw/zinc/67/00/32/427670032.db2.gz LUDZMZOQAHXNNW-UHFFFAOYSA-N 0 3 308.765 2.748 20 10 DFCDHN CCO[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2[O-])C12CCOCC2 ZINC000185658908 427684595 /nfs/dbraw/zinc/68/45/95/427684595.db2.gz SVBRDEUHAGGOLJ-IRXDYDNUSA-N 0 3 305.418 2.764 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC3(CCC(O)CC3)CC2)c1 ZINC000295101769 427692230 /nfs/dbraw/zinc/69/22/30/427692230.db2.gz KLSFKRRPKJNADG-UHFFFAOYSA-N 0 3 305.418 2.918 20 10 DFCDHN C[C@H]1OCC[C@]12CN(Cc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000279734266 427717430 /nfs/dbraw/zinc/71/74/30/427717430.db2.gz JXMUTKDESBUZLT-RKVPGOIHSA-N 0 3 304.434 2.521 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000194415349 427741718 /nfs/dbraw/zinc/74/17/18/427741718.db2.gz VZIRZPRYVUVPDE-UHFFFAOYSA-N 0 3 302.330 2.641 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2cccc3c2OCO3)c1 ZINC000194401302 427741973 /nfs/dbraw/zinc/74/19/73/427741973.db2.gz SEERZFHCDOWVKR-NSHDSACASA-N 0 3 301.342 2.980 20 10 DFCDHN C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Cl)ccc1[O-] ZINC000369641843 428023894 /nfs/dbraw/zinc/02/38/94/428023894.db2.gz UWBJFXRTWDRWBR-ZDUSSCGKSA-N 0 3 324.852 2.731 20 10 DFCDHN C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)ccc1[O-] ZINC000369641843 428023909 /nfs/dbraw/zinc/02/39/09/428023909.db2.gz UWBJFXRTWDRWBR-ZDUSSCGKSA-N 0 3 324.852 2.731 20 10 DFCDHN CC[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000369874680 428080115 /nfs/dbraw/zinc/08/01/15/428080115.db2.gz QNLVHUAPOQIONR-RBUKOAKNSA-N 0 3 318.461 2.913 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1[O-] ZINC000359977112 428101407 /nfs/dbraw/zinc/10/14/07/428101407.db2.gz VNXFFJDLMPYAPA-RISCZKNCSA-N 0 3 310.825 2.580 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c1[O-] ZINC000359977112 428101411 /nfs/dbraw/zinc/10/14/11/428101411.db2.gz VNXFFJDLMPYAPA-RISCZKNCSA-N 0 3 310.825 2.580 20 10 DFCDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000370766691 428295061 /nfs/dbraw/zinc/29/50/61/428295061.db2.gz NRTFSHVOZAWCJH-IBGZPJMESA-N 0 3 323.440 2.544 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2[O-])n1 ZINC000371410027 428389398 /nfs/dbraw/zinc/38/93/98/428389398.db2.gz QRLWQRZSKPCGJY-INIZCTEOSA-N 0 3 300.406 2.574 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cc(C)ccc2[O-])n1 ZINC000371410027 428389401 /nfs/dbraw/zinc/38/94/01/428389401.db2.gz QRLWQRZSKPCGJY-INIZCTEOSA-N 0 3 300.406 2.574 20 10 DFCDHN Cc1nc(C)n([C@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)n1 ZINC000371414866 428389448 /nfs/dbraw/zinc/38/94/48/428389448.db2.gz MSTCXADRTGUCEP-INIZCTEOSA-N 0 3 300.406 2.746 20 10 DFCDHN Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)n1 ZINC000371414866 428389451 /nfs/dbraw/zinc/38/94/51/428389451.db2.gz MSTCXADRTGUCEP-INIZCTEOSA-N 0 3 300.406 2.746 20 10 DFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(c3ccccn3)CC1)OCO2 ZINC000371319036 428381468 /nfs/dbraw/zinc/38/14/68/428381468.db2.gz MTGVEJPNYRSXQL-UHFFFAOYSA-N 0 3 312.369 2.896 20 10 DFCDHN Oc1cc2c(cc1CN1CCC(c3ccccn3)CC1)OCO2 ZINC000371319036 428381473 /nfs/dbraw/zinc/38/14/73/428381473.db2.gz MTGVEJPNYRSXQL-UHFFFAOYSA-N 0 3 312.369 2.896 20 10 DFCDHN Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000360793414 428442789 /nfs/dbraw/zinc/44/27/89/428442789.db2.gz OLWAANPFYRROAH-MRXNPFEDSA-N 0 3 300.406 2.746 20 10 DFCDHN Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000360793414 428442793 /nfs/dbraw/zinc/44/27/93/428442793.db2.gz OLWAANPFYRROAH-MRXNPFEDSA-N 0 3 300.406 2.746 20 10 DFCDHN CCOc1cccc(CN2CCOC3(CCOCC3)CC2)c1O ZINC000372134228 428416495 /nfs/dbraw/zinc/41/64/95/428416495.db2.gz OSJMQSFULQOVEA-UHFFFAOYSA-N 0 3 321.417 2.562 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1[O-] ZINC000372134228 428416504 /nfs/dbraw/zinc/41/65/04/428416504.db2.gz OSJMQSFULQOVEA-UHFFFAOYSA-N 0 3 321.417 2.562 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCOC3(CCOCC3)CC2)c1[O-] ZINC000372134228 428416510 /nfs/dbraw/zinc/41/65/10/428416510.db2.gz OSJMQSFULQOVEA-UHFFFAOYSA-N 0 3 321.417 2.562 20 10 DFCDHN CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])CC2 ZINC000372813910 428502449 /nfs/dbraw/zinc/50/24/49/428502449.db2.gz WXPGSEYRVDFMIY-HNNXBMFYSA-N 0 3 303.381 2.956 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000373217013 428524166 /nfs/dbraw/zinc/52/41/66/428524166.db2.gz PJYYAAQQKANYMJ-SWLSCSKDSA-N 0 3 322.836 2.845 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000373217013 428524170 /nfs/dbraw/zinc/52/41/70/428524170.db2.gz PJYYAAQQKANYMJ-SWLSCSKDSA-N 0 3 322.836 2.845 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cccc(C)c2[O-])n1 ZINC000373226907 428525023 /nfs/dbraw/zinc/52/50/23/428525023.db2.gz DMMOKQXTSWVTSF-QGZVFWFLSA-N 0 3 314.433 2.964 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCCC[N@H+]2Cc2cccc(C)c2[O-])n1 ZINC000373226907 428525027 /nfs/dbraw/zinc/52/50/27/428525027.db2.gz DMMOKQXTSWVTSF-QGZVFWFLSA-N 0 3 314.433 2.964 20 10 DFCDHN Cc1ccc(N2CCC[C@H]([N@H+](C)Cc3ccccc3[O-])C2)nn1 ZINC000361050368 428532101 /nfs/dbraw/zinc/53/21/01/428532101.db2.gz GZGSFDWZBKCBAS-INIZCTEOSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1ccc(N2CCC[C@H]([N@@H+](C)Cc3ccccc3[O-])C2)nn1 ZINC000361050368 428532105 /nfs/dbraw/zinc/53/21/05/428532105.db2.gz GZGSFDWZBKCBAS-INIZCTEOSA-N 0 3 312.417 2.591 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)c1ccccc1[O-] ZINC000374673766 428728286 /nfs/dbraw/zinc/72/82/86/428728286.db2.gz AYJDIHOAJNJKJR-KYHPRHEASA-N 0 3 318.461 2.932 20 10 DFCDHN CCN(C)c1ccc([C@H](C)NC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000362293847 428692030 /nfs/dbraw/zinc/69/20/30/428692030.db2.gz PUDIMTGWZINARG-KXBFYZLASA-N 0 3 317.477 2.657 20 10 DFCDHN COc1ccc(N2CCCN(C[C@H]3CCCCO3)CC2)cc1 ZINC000363301200 428900822 /nfs/dbraw/zinc/90/08/22/428900822.db2.gz GGPBXSKKRINTRF-GOSISDBHSA-N 0 3 304.434 2.776 20 10 DFCDHN C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(F)ccc1[O-] ZINC000363868440 429132388 /nfs/dbraw/zinc/13/23/88/429132388.db2.gz SCLMLLAIQKZYDU-LBPRGKRZSA-N 0 3 312.348 2.963 20 10 DFCDHN c1ncn([C@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000364514824 429217494 /nfs/dbraw/zinc/21/74/94/429217494.db2.gz ZIXDJSSMILNHSS-SFHVURJKSA-N 0 3 311.433 2.715 20 10 DFCDHN Cc1ccc2ncc(CNCc3ccc4c(c3)CCN4C)n2c1 ZINC000364444058 429204089 /nfs/dbraw/zinc/20/40/89/429204089.db2.gz MFWFKORQYKMFBC-UHFFFAOYSA-N 0 3 306.413 2.925 20 10 DFCDHN CC(C)C(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295994203 275557937 /nfs/dbraw/zinc/55/79/37/275557937.db2.gz NVZUWTDXCXHNEY-HNNXBMFYSA-N 0 3 302.418 2.616 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000367472802 429657139 /nfs/dbraw/zinc/65/71/39/429657139.db2.gz WBDMCTOLZXTBKM-AWEZNQCLSA-N 0 3 315.417 2.904 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000367472802 429657140 /nfs/dbraw/zinc/65/71/40/429657140.db2.gz WBDMCTOLZXTBKM-AWEZNQCLSA-N 0 3 315.417 2.904 20 10 DFCDHN Cc1cccc(C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1[O-] ZINC000367956342 429751141 /nfs/dbraw/zinc/75/11/41/429751141.db2.gz NBXCBIQBOABYEO-RDJZCZTQSA-N 0 3 305.418 2.500 20 10 DFCDHN Cc1cccc(C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)c1[O-] ZINC000367956341 429751451 /nfs/dbraw/zinc/75/14/51/429751451.db2.gz NBXCBIQBOABYEO-NVXWUHKLSA-N 0 3 305.418 2.500 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCN(c3ccncn3)C2)c1 ZINC000368330591 429831602 /nfs/dbraw/zinc/83/16/02/429831602.db2.gz GWKKWAZLHJAZET-GJZGRUSLSA-N 0 3 312.417 2.810 20 10 DFCDHN COc1ccc(CN[C@@H]2CCc3cccc(O)c32)c(OC)n1 ZINC000297409367 277898541 /nfs/dbraw/zinc/89/85/41/277898541.db2.gz TWZJTWZUTFTPQW-CYBMUJFWSA-N 0 3 300.358 2.582 20 10 DFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC2CC(O)C2)c1[O-] ZINC000528018752 300728782 /nfs/dbraw/zinc/72/87/82/300728782.db2.gz PEEULGWEQFOWEF-GRZMOONWSA-N 0 3 314.223 2.885 20 10 DFCDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc2c(c1)CCCN2C ZINC000122953103 332416402 /nfs/dbraw/zinc/41/64/02/332416402.db2.gz PCEXYEGAZHTLCM-HNNXBMFYSA-N 0 3 317.477 2.806 20 10 DFCDHN [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCOCCO ZINC000293576365 335109215 /nfs/dbraw/zinc/10/92/15/335109215.db2.gz DRHZYEVYZYNQDA-SFHVURJKSA-N 0 3 315.413 2.665 20 10 DFCDHN CC(C)(CO)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cccnc1 ZINC000293666042 335114653 /nfs/dbraw/zinc/11/46/53/335114653.db2.gz OKIYTGDNHAWTQE-INIZCTEOSA-N 0 3 304.365 2.776 20 10 DFCDHN C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(F)ccc1[O-] ZINC000185492735 333209255 /nfs/dbraw/zinc/20/92/55/333209255.db2.gz DRDAVUUZYKBGBE-KGLIPLIRSA-N 0 3 322.424 2.683 20 10 DFCDHN C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc2c(cc1[O-])CCCC2 ZINC000185639020 333211320 /nfs/dbraw/zinc/21/13/20/333211320.db2.gz PRZSGRKQLYNXRG-SJKOYZFVSA-N 0 3 307.459 2.790 20 10 DFCDHN CCOc1ccc(O)c(CN(C)[C@H](CO)c2ccccc2)c1 ZINC000294937851 335128997 /nfs/dbraw/zinc/12/89/97/335128997.db2.gz BZPXDDJIQUUWJU-QGZVFWFLSA-N 0 3 301.386 2.956 20 10 DFCDHN COc1cccc(C[NH+]2CCC3(CCC(O)CC3)CC2)c1[O-] ZINC000295193838 335130956 /nfs/dbraw/zinc/13/09/56/335130956.db2.gz XPDYEBMZZOEOGA-UHFFFAOYSA-N 0 3 305.418 2.918 20 10 DFCDHN CN(C)c1ccc(CNC[C@@H](O)Cc2cccc(F)c2)cc1F ZINC000295155136 335132880 /nfs/dbraw/zinc/13/28/80/335132880.db2.gz RNJJPRBRPDLFKB-INIZCTEOSA-N 0 3 320.383 2.724 20 10 DFCDHN CC[NH+](CC)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184677929 333363684 /nfs/dbraw/zinc/36/36/84/333363684.db2.gz DHVKDBSOLBGWGW-AWEZNQCLSA-N 0 3 312.841 2.970 20 10 DFCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295904019 335138400 /nfs/dbraw/zinc/13/84/00/335138400.db2.gz IUECYSFPOPSLKP-RDJZCZTQSA-N 0 3 313.397 2.717 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCC3(CCOCC3)[C@@H]1O)CC2 ZINC000296476061 335142204 /nfs/dbraw/zinc/14/22/04/335142204.db2.gz OUFRMFQSUHKXOF-HDMKZQKVSA-N 0 3 317.429 2.537 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)CC2 ZINC000297070552 335148976 /nfs/dbraw/zinc/14/89/76/335148976.db2.gz WJBOUQKVDKGIKT-HZPDHXFCSA-N 0 3 301.361 2.712 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000273459312 334047341 /nfs/dbraw/zinc/04/73/41/334047341.db2.gz HUTPZSIGKQQJCY-YGRLFVJLSA-N 0 3 315.373 2.630 20 10 DFCDHN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000277600199 334089339 /nfs/dbraw/zinc/08/93/39/334089339.db2.gz OQLJUFNDTZSJFK-INIZCTEOSA-N 0 3 317.433 2.551 20 10 DFCDHN CC[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(C)cc1[O-] ZINC000280193668 334114983 /nfs/dbraw/zinc/11/49/83/334114983.db2.gz SJUNNHAUBMDKNQ-RDJZCZTQSA-N 0 3 306.450 2.588 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)c1[O-] ZINC000367347810 336675655 /nfs/dbraw/zinc/67/56/55/336675655.db2.gz BHRQATMVZYANRS-KBPBESRZSA-N 0 3 308.809 2.597 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)C3CCC3)CC2)c1 ZINC000371420574 336903583 /nfs/dbraw/zinc/90/35/83/336903583.db2.gz ZSLGGWALJFNHGH-UHFFFAOYSA-N 0 3 302.418 2.581 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c([O-])c1 ZINC000371835317 336914256 /nfs/dbraw/zinc/91/42/56/336914256.db2.gz RZDXACKOPBYYTF-RYQLBKOJSA-N 0 3 318.461 2.995 20 10 DFCDHN Cc1cccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1[O-] ZINC000375299644 337007444 /nfs/dbraw/zinc/00/74/44/337007444.db2.gz KCZQXQPZFMDVRZ-LJQANCHMSA-N 0 3 308.381 2.796 20 10 DFCDHN Cc1cccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1[O-] ZINC000375299644 337007445 /nfs/dbraw/zinc/00/74/45/337007445.db2.gz KCZQXQPZFMDVRZ-LJQANCHMSA-N 0 3 308.381 2.796 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCn3ccnc32)c1 ZINC000375843838 337021143 /nfs/dbraw/zinc/02/11/43/337021143.db2.gz BRXSAIXUWUCWTR-CHWSQXEVSA-N 0 3 301.390 2.826 20 10 DFCDHN CCc1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])CC2 ZINC000375853398 337021516 /nfs/dbraw/zinc/02/15/16/337021516.db2.gz YZEPXCKBIZIDEI-CHWSQXEVSA-N 0 3 300.406 2.520 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cc(F)ccc1[O-] ZINC000376029134 337025569 /nfs/dbraw/zinc/02/55/69/337025569.db2.gz NBQKMUSCMZKWPC-JSGCOSHPSA-N 0 3 318.396 2.584 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@]3(CCCCO3)C1)OCO2 ZINC000376480544 337034442 /nfs/dbraw/zinc/03/44/42/337034442.db2.gz ZPFZRBWLDVSLLS-QGZVFWFLSA-N 0 3 305.374 2.656 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@]3(CCCCO3)C1)OCO2 ZINC000376480544 337034443 /nfs/dbraw/zinc/03/44/43/337034443.db2.gz ZPFZRBWLDVSLLS-QGZVFWFLSA-N 0 3 305.374 2.656 20 10 DFCDHN Oc1cc2c(cc1CN1CCC[C@]3(CCCCO3)C1)OCO2 ZINC000376480544 337034444 /nfs/dbraw/zinc/03/44/44/337034444.db2.gz ZPFZRBWLDVSLLS-QGZVFWFLSA-N 0 3 305.374 2.656 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)C[C@@H]2CCc3nccn3C2)c1 ZINC000377687668 337058342 /nfs/dbraw/zinc/05/83/42/337058342.db2.gz ALVGWGXUTZDZCW-KBPBESRZSA-N 0 3 315.417 2.853 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)C[C@@H]2CCc3nccn3C2)c1 ZINC000377687668 337058343 /nfs/dbraw/zinc/05/83/43/337058343.db2.gz ALVGWGXUTZDZCW-KBPBESRZSA-N 0 3 315.417 2.853 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCn3ccnc3C2)c1 ZINC000377689494 337058429 /nfs/dbraw/zinc/05/84/29/337058429.db2.gz BZMDNRXUMFEAPY-OLZOCXBDSA-N 0 3 301.390 2.511 20 10 DFCDHN CCOCc1cc(CN[C@H]2CCO[C@@H]2C2CC2)ccc1OC ZINC000378310121 337069742 /nfs/dbraw/zinc/06/97/42/337069742.db2.gz GVKXLZTXQZDKDU-FUHWJXTLSA-N 0 3 305.418 2.889 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@@H]2c2cnn(C)c2C)c1 ZINC000378441795 337072807 /nfs/dbraw/zinc/07/28/07/337072807.db2.gz IBDCYTIKMJBBRP-MRXNPFEDSA-N 0 3 301.390 2.780 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC23CCC(CO)CC3)cc1OC ZINC000378452698 337073249 /nfs/dbraw/zinc/07/32/49/337073249.db2.gz UVUHYKUJDFZDIA-UHFFFAOYSA-N 0 3 321.417 2.536 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC23CCC(CO)CC3)cc1OC ZINC000378452698 337073250 /nfs/dbraw/zinc/07/32/50/337073250.db2.gz UVUHYKUJDFZDIA-UHFFFAOYSA-N 0 3 321.417 2.536 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1ccccc1[O-] ZINC000194260228 337089188 /nfs/dbraw/zinc/08/91/88/337089188.db2.gz STYZXLPFWSTTCQ-ROUUACIJSA-N 0 3 319.493 2.705 20 10 DFCDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CN1c1c(F)cccc1F ZINC000180222407 337175380 /nfs/dbraw/zinc/17/53/80/337175380.db2.gz LOVYSMOJVVSJEP-LBPRGKRZSA-N 0 3 318.323 2.566 20 10 DFCDHN C[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(F)ccc1[O-] ZINC000184989099 337202225 /nfs/dbraw/zinc/20/22/25/337202225.db2.gz NXJCGIQPXPPKLF-LBPRGKRZSA-N 0 3 312.348 2.963 20 10 DFCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000134228928 341210135 /nfs/dbraw/zinc/21/01/35/341210135.db2.gz QKVXLYFDTFBLMT-GFCCVEGCSA-N 0 3 305.399 2.647 20 10 DFCDHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180017330 519874446 /nfs/dbraw/zinc/87/44/46/519874446.db2.gz LRJSEPGCVQASJY-CYBMUJFWSA-N 0 3 308.397 2.660 20 10 DFCDHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180017330 519874448 /nfs/dbraw/zinc/87/44/48/519874448.db2.gz LRJSEPGCVQASJY-CYBMUJFWSA-N 0 3 308.397 2.660 20 10 DFCDHN CCOCc1cc(CNC[C@H](O)c2ccc(C)o2)ccc1OC ZINC000265917668 520186714 /nfs/dbraw/zinc/18/67/14/520186714.db2.gz BPAMUHSMDLKUMJ-INIZCTEOSA-N 0 3 319.401 2.956 20 10 DFCDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000189402114 520202280 /nfs/dbraw/zinc/20/22/80/520202280.db2.gz GWURXRTYSGVEOV-QWHCGFSZSA-N 0 3 304.434 2.788 20 10 DFCDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000189402114 520202287 /nfs/dbraw/zinc/20/22/87/520202287.db2.gz GWURXRTYSGVEOV-QWHCGFSZSA-N 0 3 304.434 2.788 20 10 DFCDHN CC[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182942144 521121868 /nfs/dbraw/zinc/12/18/68/521121868.db2.gz MEFXCNWQEBJSML-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN CC[N@@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182942144 521121877 /nfs/dbraw/zinc/12/18/77/521121877.db2.gz MEFXCNWQEBJSML-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC[C@H]2c2cnn(C)c2)c1 ZINC000131945520 521142732 /nfs/dbraw/zinc/14/27/32/521142732.db2.gz RPWMHXHWAZYAQE-INIZCTEOSA-N 0 3 301.390 2.862 20 10 DFCDHN CCOC(=O)c1csc(CC[NH2+][C@H](C)c2ccccc2[O-])n1 ZINC000191561280 521589127 /nfs/dbraw/zinc/58/91/27/521589127.db2.gz GCUGRZCOVNDZMC-LLVKDONJSA-N 0 3 320.414 2.919 20 10 DFCDHN COC[C@@H](C)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000124558455 522219088 /nfs/dbraw/zinc/21/90/88/522219088.db2.gz NFTZTZIZJGCTAZ-SNVBAGLBSA-N 0 3 302.212 2.930 20 10 DFCDHN COC[C@@H](C)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000124558455 522219077 /nfs/dbraw/zinc/21/90/77/522219077.db2.gz NFTZTZIZJGCTAZ-SNVBAGLBSA-N 0 3 302.212 2.930 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)cc1OC ZINC000182489630 522782125 /nfs/dbraw/zinc/78/21/25/522782125.db2.gz DFUXNGCDLKNGMO-RDJZCZTQSA-N 0 3 309.406 2.703 20 10 DFCDHN Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCCC2)c1O ZINC000368460682 524389700 /nfs/dbraw/zinc/38/97/00/524389700.db2.gz BKNQHCOCUCHRLA-INIZCTEOSA-N 0 3 302.418 2.678 20 10 DFCDHN COc1ccc(O)c(CNc2ccc(OCCN(C)C)cc2)c1 ZINC000237207670 524755321 /nfs/dbraw/zinc/75/53/21/524755321.db2.gz VJXBRHGGXKHWSI-UHFFFAOYSA-N 0 3 316.401 2.953 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000264946714 525345419 /nfs/dbraw/zinc/34/54/19/525345419.db2.gz JCJYMCWAFSKFMG-UHFFFAOYSA-N 0 3 302.340 2.817 20 10 DFCDHN C[C@@]1(O)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183116594 525885815 /nfs/dbraw/zinc/88/58/15/525885815.db2.gz PRMMQTUAMZUKQO-LJQANCHMSA-N 0 3 313.397 2.928 20 10 DFCDHN C[C@@]1(O)CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183116594 525885824 /nfs/dbraw/zinc/88/58/24/525885824.db2.gz PRMMQTUAMZUKQO-LJQANCHMSA-N 0 3 313.397 2.928 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)c1[O-] ZINC000237209041 526021048 /nfs/dbraw/zinc/02/10/48/526021048.db2.gz BKQXXUDXBOMDRG-CQSZACIVSA-N 0 3 307.777 2.877 20 10 DFCDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297468765 526681772 /nfs/dbraw/zinc/68/17/72/526681772.db2.gz YJXNINRZTDPJFT-OGHNNQOOSA-N 0 3 302.418 2.662 20 10 DFCDHN CC[NH+](CC)C[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079469364 185172877 /nfs/dbraw/zinc/17/28/77/185172877.db2.gz SPLLYGZKXWDWJF-AWEZNQCLSA-N 0 3 322.424 2.898 20 10 DFCDHN CCCC(=O)N[C@H]1CCCN(Cc2cc(OCC)ccc2O)C1 ZINC000092708609 185335308 /nfs/dbraw/zinc/33/53/08/185335308.db2.gz FQTILMRDONFXNK-HNNXBMFYSA-N 0 3 320.433 2.672 20 10 DFCDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092734344 185337238 /nfs/dbraw/zinc/33/72/38/185337238.db2.gz UMPSZPYTLJKQQH-CQSZACIVSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092734344 185337239 /nfs/dbraw/zinc/33/72/39/185337239.db2.gz UMPSZPYTLJKQQH-CQSZACIVSA-N 0 3 320.433 2.529 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000092073544 398556418 /nfs/dbraw/zinc/55/64/18/398556418.db2.gz MVVSAZPKGXYCGM-ZDUSSCGKSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000092073544 398556422 /nfs/dbraw/zinc/55/64/22/398556422.db2.gz MVVSAZPKGXYCGM-ZDUSSCGKSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1[O-] ZINC000092072341 398556963 /nfs/dbraw/zinc/55/69/63/398556963.db2.gz ITDIVEUVIIZTEN-CQSZACIVSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1[O-] ZINC000092072341 398556968 /nfs/dbraw/zinc/55/69/68/398556968.db2.gz ITDIVEUVIIZTEN-CQSZACIVSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1cccc(CN2CCc3ccccc3[C@@H]2CO)c1O ZINC000093455403 398638062 /nfs/dbraw/zinc/63/80/62/398638062.db2.gz DOUFRSCJMWSDIC-KRWDZBQOSA-N 0 3 313.397 2.883 20 10 DFCDHN CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC)CC3)c1[O-] ZINC000091892531 193122972 /nfs/dbraw/zinc/12/29/72/193122972.db2.gz XCTFSHBCYMQWOF-CVEARBPZSA-N 0 3 304.434 2.850 20 10 DFCDHN CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CN(CC)CC3)c1[O-] ZINC000091892531 193122973 /nfs/dbraw/zinc/12/29/73/193122973.db2.gz XCTFSHBCYMQWOF-CVEARBPZSA-N 0 3 304.434 2.850 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370972 299380697 /nfs/dbraw/zinc/38/06/97/299380697.db2.gz CJWFGNUPUSKCOO-XQQFMLRXSA-N 0 3 307.394 2.824 20 10 DFCDHN C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370972 299380701 /nfs/dbraw/zinc/38/07/01/299380701.db2.gz CJWFGNUPUSKCOO-XQQFMLRXSA-N 0 3 307.394 2.824 20 10 DFCDHN COc1ccc([C@H](CO)N(C)Cc2cccc(OC)c2O)cc1 ZINC000093415659 193247093 /nfs/dbraw/zinc/24/70/93/193247093.db2.gz JEWDLNXCTLSFNA-INIZCTEOSA-N 0 3 317.385 2.575 20 10 DFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCOCCO ZINC000272422041 130029434 /nfs/dbraw/zinc/02/94/34/130029434.db2.gz DNRFVYTYOVXBAP-UHFFFAOYSA-N 0 3 301.386 2.548 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000272486488 130034798 /nfs/dbraw/zinc/03/47/98/130034798.db2.gz DBFGLTNYEJQKLT-GHMZBOCLSA-N 0 3 314.223 2.666 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000272486488 130034801 /nfs/dbraw/zinc/03/48/01/130034801.db2.gz DBFGLTNYEJQKLT-GHMZBOCLSA-N 0 3 314.223 2.666 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1[O-] ZINC000272486496 130035470 /nfs/dbraw/zinc/03/54/70/130035470.db2.gz DBFGLTNYEJQKLT-QWRGUYRKSA-N 0 3 314.223 2.666 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1[O-] ZINC000272486496 130035474 /nfs/dbraw/zinc/03/54/74/130035474.db2.gz DBFGLTNYEJQKLT-QWRGUYRKSA-N 0 3 314.223 2.666 20 10 DFCDHN COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000273361016 130110425 /nfs/dbraw/zinc/11/04/25/130110425.db2.gz AGZILJKSPPTKIP-WMLDXEAASA-N 0 3 318.461 2.642 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)c([O-])c1 ZINC000273367742 130112100 /nfs/dbraw/zinc/11/21/00/130112100.db2.gz BVQZKLLVZOURCA-MRXNPFEDSA-N 0 3 318.461 2.996 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370969 130113024 /nfs/dbraw/zinc/11/30/24/130113024.db2.gz CJWFGNUPUSKCOO-RWMBFGLXSA-N 0 3 307.394 2.824 20 10 DFCDHN C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370969 130113025 /nfs/dbraw/zinc/11/30/25/130113025.db2.gz CJWFGNUPUSKCOO-RWMBFGLXSA-N 0 3 307.394 2.824 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCC(O)CC2)c([O-])c1C ZINC000273387079 130116353 /nfs/dbraw/zinc/11/63/53/130116353.db2.gz JTZSSCYTTWBGKO-HNNXBMFYSA-N 0 3 306.450 2.506 20 10 DFCDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc2ccccc2c1[O-] ZINC000273435214 130121293 /nfs/dbraw/zinc/12/12/93/130121293.db2.gz WUJGOUGZHKEGIG-ZBFHGGJFSA-N 0 3 314.429 2.653 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000273470880 130125478 /nfs/dbraw/zinc/12/54/78/130125478.db2.gz JTCYQKFUGCNLTK-OCCSQVGLSA-N 0 3 307.390 2.737 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N[C@@H](CO)c2ccc(F)cc2)c1 ZINC000273504045 130129613 /nfs/dbraw/zinc/12/96/13/130129613.db2.gz QSZPGRVXCBAJDI-BZNIZROVSA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c([O-])c1 ZINC000273511556 130131335 /nfs/dbraw/zinc/13/13/35/130131335.db2.gz RSJJDAQLIGVZNJ-QGTPRVQTSA-N 0 3 318.461 2.729 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000273550398 130134953 /nfs/dbraw/zinc/13/49/53/130134953.db2.gz FTJOQFHDFNGTDY-SOUVJXGZSA-N 0 3 304.434 2.998 20 10 DFCDHN CNC(=O)C1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273607913 130143179 /nfs/dbraw/zinc/14/31/79/130143179.db2.gz UTRXKRCYAUHOOH-WLYUNCDWSA-N 0 3 304.434 2.964 20 10 DFCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000273623324 130147065 /nfs/dbraw/zinc/14/70/65/130147065.db2.gz ZUSRIOZULHUCQM-GXTWGEPZSA-N 0 3 300.406 2.575 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274458444 130237645 /nfs/dbraw/zinc/23/76/45/130237645.db2.gz ZXPXXDUXAOUXCS-LLVKDONJSA-N 0 3 319.430 2.596 20 10 DFCDHN CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-])C1CC1 ZINC000275482285 130326717 /nfs/dbraw/zinc/32/67/17/130326717.db2.gz BDEHFLJNNGXULP-KRWDZBQOSA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-])C1CC1 ZINC000275482285 130326718 /nfs/dbraw/zinc/32/67/18/130326718.db2.gz BDEHFLJNNGXULP-KRWDZBQOSA-N 0 3 302.418 2.676 20 10 DFCDHN C[C@H](CC(N)=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282860818 130944058 /nfs/dbraw/zinc/94/40/58/130944058.db2.gz UPIRGKFMRKGHMM-QWHCGFSZSA-N 0 3 323.868 2.930 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c([O-])c1 ZINC000284151247 131054226 /nfs/dbraw/zinc/05/42/26/131054226.db2.gz PHAOXHGQNAJQQW-OAHLLOKOSA-N 0 3 306.450 2.770 20 10 DFCDHN COc1ccc([C@H](CN(C)C)[NH2+]Cc2ccccc2[O-])cc1 ZINC000284197742 131058729 /nfs/dbraw/zinc/05/87/29/131058729.db2.gz YSZVKVJNDFGMMD-KRWDZBQOSA-N 0 3 300.402 2.793 20 10 DFCDHN Cc1cccc(CN[C@H](c2nccn2C)C2CCOCC2)c1O ZINC000284699447 131104315 /nfs/dbraw/zinc/10/43/15/131104315.db2.gz QNSYJGRZURPMFQ-INIZCTEOSA-N 0 3 315.417 2.692 20 10 DFCDHN CCn1ccnc1[C@H](NCc1ccccc1O)C1CCOCC1 ZINC000284876983 131118118 /nfs/dbraw/zinc/11/81/18/131118118.db2.gz ZBRCQZGGSLCCRR-QGZVFWFLSA-N 0 3 315.417 2.866 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c([O-])c1 ZINC000285098982 131137420 /nfs/dbraw/zinc/13/74/20/131137420.db2.gz KFHSVDWGNHNAOH-CQSZACIVSA-N 0 3 300.402 2.867 20 10 DFCDHN CCOC1CC(CN2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000285219937 131149007 /nfs/dbraw/zinc/14/90/07/131149007.db2.gz PSXSJOQIWNOUFN-UHFFFAOYSA-N 0 3 304.434 2.632 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)c([O-])c1 ZINC000285609542 131186416 /nfs/dbraw/zinc/18/64/16/131186416.db2.gz JCDXCQKNQHOPLS-CYBMUJFWSA-N 0 3 311.447 2.709 20 10 DFCDHN C[C@H](NCC1=CCCOC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000286980308 131259122 /nfs/dbraw/zinc/25/91/22/131259122.db2.gz IZNPKCULWRPNOH-AWEZNQCLSA-N 0 3 320.408 2.660 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cc1OC ZINC000289195805 131364711 /nfs/dbraw/zinc/36/47/11/131364711.db2.gz BCIVNODGXJXWHP-ZFWWWQNUSA-N 0 3 323.433 2.925 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCCC[C@H]2C[C@H](C)O)cc1OC ZINC000289195805 131364712 /nfs/dbraw/zinc/36/47/12/131364712.db2.gz BCIVNODGXJXWHP-ZFWWWQNUSA-N 0 3 323.433 2.925 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2CCC(=O)NC)c1 ZINC000289243120 131368877 /nfs/dbraw/zinc/36/88/77/131368877.db2.gz DTJOFRFRBCLIFN-HNNXBMFYSA-N 0 3 320.433 2.672 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCCC[C@H]2CCC(=O)NC)c1 ZINC000289243120 131368879 /nfs/dbraw/zinc/36/88/79/131368879.db2.gz DTJOFRFRBCLIFN-HNNXBMFYSA-N 0 3 320.433 2.672 20 10 DFCDHN CN(C)c1ccc(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC000289329277 131374594 /nfs/dbraw/zinc/37/45/94/131374594.db2.gz HLSUTAFIOUDLPS-SFHVURJKSA-N 0 3 321.440 2.581 20 10 DFCDHN CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000289336191 131375525 /nfs/dbraw/zinc/37/55/25/131375525.db2.gz HFBSXWYEHGINBY-OAHLLOKOSA-N 0 3 306.406 2.801 20 10 DFCDHN CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000289336191 131375527 /nfs/dbraw/zinc/37/55/27/131375527.db2.gz HFBSXWYEHGINBY-OAHLLOKOSA-N 0 3 306.406 2.801 20 10 DFCDHN COc1cccc(CN(CCN(C)C)Cc2ccco2)c1O ZINC000289476992 131389704 /nfs/dbraw/zinc/38/97/04/131389704.db2.gz QAARBQPMSRRBPL-UHFFFAOYSA-N 0 3 304.390 2.558 20 10 DFCDHN Cc1ccc(O)c(CN2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000092076071 292164476 /nfs/dbraw/zinc/16/44/76/292164476.db2.gz QOOQKYYOIHDNJM-KRWDZBQOSA-N 0 3 310.397 2.764 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000273510232 292166124 /nfs/dbraw/zinc/16/61/24/292166124.db2.gz RNCUDIZURILRAP-URLQWDBASA-N 0 3 315.413 2.836 20 10 DFCDHN COc1cc([O-])c(C[N@H+](CCO)C2CCCCC2)cc1OC ZINC000183375796 286238952 /nfs/dbraw/zinc/23/89/52/286238952.db2.gz VPQVKSZTYOEMBE-UHFFFAOYSA-N 0 3 309.406 2.536 20 10 DFCDHN COc1cc([O-])c(C[N@@H+](CCO)C2CCCCC2)cc1OC ZINC000183375796 286238953 /nfs/dbraw/zinc/23/89/53/286238953.db2.gz VPQVKSZTYOEMBE-UHFFFAOYSA-N 0 3 309.406 2.536 20 10 DFCDHN CCOCc1ccccc1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000063255993 425900361 /nfs/dbraw/zinc/90/03/61/425900361.db2.gz WTSLRHMEOKHNIL-UHFFFAOYSA-N 0 3 315.369 2.947 20 10 DFCDHN CCOCc1ccccc1CNCc1cc2c(cc1O)OCO2 ZINC000063255993 425900362 /nfs/dbraw/zinc/90/03/62/425900362.db2.gz WTSLRHMEOKHNIL-UHFFFAOYSA-N 0 3 315.369 2.947 20 10 DFCDHN Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000111236466 426039442 /nfs/dbraw/zinc/03/94/42/426039442.db2.gz WPIFGUOGGOEJQR-KRWDZBQOSA-N 0 3 315.413 2.881 20 10 DFCDHN Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000111236466 426039445 /nfs/dbraw/zinc/03/94/45/426039445.db2.gz WPIFGUOGGOEJQR-KRWDZBQOSA-N 0 3 315.413 2.881 20 10 DFCDHN CCC(=O)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000128728208 426130072 /nfs/dbraw/zinc/13/00/72/426130072.db2.gz DZEXSGAQAFCSPM-UHFFFAOYSA-N 0 3 312.413 2.990 20 10 DFCDHN CCC(=O)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000128728208 426130074 /nfs/dbraw/zinc/13/00/74/426130074.db2.gz DZEXSGAQAFCSPM-UHFFFAOYSA-N 0 3 312.413 2.990 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@H]2CCCN2c2cccnn2)c1 ZINC000120401713 426311282 /nfs/dbraw/zinc/31/12/82/426311282.db2.gz NPWSKGZNGVBORO-MRXNPFEDSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCCN2c2cccnn2)c1 ZINC000120401713 426311283 /nfs/dbraw/zinc/31/12/83/426311283.db2.gz NPWSKGZNGVBORO-MRXNPFEDSA-N 0 3 312.417 2.591 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000175709335 426322641 /nfs/dbraw/zinc/32/26/41/426322641.db2.gz HYKKJCYRBTTYTF-AWEZNQCLSA-N 0 3 320.408 2.652 20 10 DFCDHN CCN(CC)c1ccc(CN[C@@](C)(CCO)COC)cc1F ZINC000175855031 426334870 /nfs/dbraw/zinc/33/48/70/426334870.db2.gz ATJXEWXTLYCWNT-KRWDZBQOSA-N 0 3 312.429 2.549 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089125832 426280029 /nfs/dbraw/zinc/28/00/29/426280029.db2.gz JDCVSHPLUADGQW-OALUTQOASA-N 0 3 313.397 2.925 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089125832 426280032 /nfs/dbraw/zinc/28/00/32/426280032.db2.gz JDCVSHPLUADGQW-OALUTQOASA-N 0 3 313.397 2.925 20 10 DFCDHN Cn1cc(C[N@H+](C)Cc2ccccc2[O-])c(-c2ccncc2)n1 ZINC000091974618 426346922 /nfs/dbraw/zinc/34/69/22/426346922.db2.gz BTTNUQLCQZVQOX-UHFFFAOYSA-N 0 3 308.385 2.820 20 10 DFCDHN Cn1cc(C[N@@H+](C)Cc2ccccc2[O-])c(-c2ccncc2)n1 ZINC000091974618 426346925 /nfs/dbraw/zinc/34/69/25/426346925.db2.gz BTTNUQLCQZVQOX-UHFFFAOYSA-N 0 3 308.385 2.820 20 10 DFCDHN CN(C)c1ccc(CNC[C@](C)(O)c2cccs2)cc1F ZINC000153024275 426367021 /nfs/dbraw/zinc/36/70/21/426367021.db2.gz JJWDCTBFPBJFQV-INIZCTEOSA-N 0 3 308.422 2.951 20 10 DFCDHN COc1cccc(CN2CCC[C@@H](n3cc(C)cn3)C2)c1O ZINC000123062702 426412072 /nfs/dbraw/zinc/41/20/72/426412072.db2.gz NRTJANDMTYONHW-OAHLLOKOSA-N 0 3 301.390 2.743 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1C ZINC000154915166 426459073 /nfs/dbraw/zinc/45/90/73/426459073.db2.gz QMSHGTFXZDZWKW-OAHLLOKOSA-N 0 3 300.406 2.513 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1C ZINC000154915166 426459076 /nfs/dbraw/zinc/45/90/76/426459076.db2.gz QMSHGTFXZDZWKW-OAHLLOKOSA-N 0 3 300.406 2.513 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc(C)cc1[O-] ZINC000280146921 426507622 /nfs/dbraw/zinc/50/76/22/426507622.db2.gz PYDWLSACSHCOPN-ZBFHGGJFSA-N 0 3 321.417 2.663 20 10 DFCDHN CCNC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(C)cc2[O-])C1 ZINC000280214417 426521943 /nfs/dbraw/zinc/52/19/43/426521943.db2.gz UIBOCIZCTWEHON-DZGCQCFKSA-N 0 3 305.422 2.545 20 10 DFCDHN C[C@H](O)CCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280092923 426502403 /nfs/dbraw/zinc/50/24/03/426502403.db2.gz AVDXHTDEFUTMEO-NSHDSACASA-N 0 3 304.356 2.974 20 10 DFCDHN CSC[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000187712119 426687156 /nfs/dbraw/zinc/68/71/56/426687156.db2.gz ZKGIIIVALNXVNT-KRWDZBQOSA-N 0 3 308.491 2.833 20 10 DFCDHN CCOCc1cc(CNCCc2nnc(C)s2)ccc1OC ZINC000289751162 426673745 /nfs/dbraw/zinc/67/37/45/426673745.db2.gz HLWOTVBASCIYEU-UHFFFAOYSA-N 0 3 321.446 2.724 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227690132 426629359 /nfs/dbraw/zinc/62/93/59/426629359.db2.gz PTFMPRIWDCMYCJ-VXGBXAGGSA-N 0 3 324.421 2.965 20 10 DFCDHN CC[C@@H](C[NH2+]Cc1cc(OC)ccc1[O-])NC(=O)OC(C)(C)C ZINC000227720688 426630858 /nfs/dbraw/zinc/63/08/58/426630858.db2.gz NYJLXSDTYHOWIK-ZDUSSCGKSA-N 0 3 324.421 2.794 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c([O-])c1C ZINC000280943184 426690967 /nfs/dbraw/zinc/69/09/67/426690967.db2.gz JAFSUGOEFRUCMS-CYBMUJFWSA-N 0 3 311.447 2.627 20 10 DFCDHN Cc1ccc([C@@H](C)NCC2(S(C)(=O)=O)CCC2)c(O)c1C ZINC000280943184 426690971 /nfs/dbraw/zinc/69/09/71/426690971.db2.gz JAFSUGOEFRUCMS-CYBMUJFWSA-N 0 3 311.447 2.627 20 10 DFCDHN COc1ccc(O)c(CN[C@@H](CN(C)C)c2ccccc2)c1 ZINC000237205865 426689072 /nfs/dbraw/zinc/68/90/72/426689072.db2.gz QTJVPBYEWNBCIU-KRWDZBQOSA-N 0 3 300.402 2.793 20 10 DFCDHN CC(=O)c1cc(F)cc(CN(C)CCC[NH+]2CCCC2)c1[O-] ZINC000281202102 426704323 /nfs/dbraw/zinc/70/43/23/426704323.db2.gz CODNIGAOQGQRRA-UHFFFAOYSA-N 0 3 308.397 2.652 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)OCO2 ZINC000281296492 426709879 /nfs/dbraw/zinc/70/98/79/426709879.db2.gz PKXMAHCRDNPFRG-RRFJBIMHSA-N 0 3 319.401 2.636 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)OCO2 ZINC000281296492 426709884 /nfs/dbraw/zinc/70/98/84/426709884.db2.gz PKXMAHCRDNPFRG-RRFJBIMHSA-N 0 3 319.401 2.636 20 10 DFCDHN C[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)N1CCCC1 ZINC000281411994 426718869 /nfs/dbraw/zinc/71/88/69/426718869.db2.gz QHYGFGPTSRPOIS-INIZCTEOSA-N 0 3 315.461 2.777 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]CCCn2cnc3ccccc32)c1 ZINC000237360576 426692348 /nfs/dbraw/zinc/69/23/48/426692348.db2.gz UOASNJQNBUHCNU-UHFFFAOYSA-N 0 3 311.385 2.930 20 10 DFCDHN C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000237490129 426692436 /nfs/dbraw/zinc/69/24/36/426692436.db2.gz FQEUYGFTTWNENF-GFCCVEGCSA-N 0 3 315.369 2.937 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H](CO)CC(C)C)c1[O-] ZINC000290486921 426775163 /nfs/dbraw/zinc/77/51/63/426775163.db2.gz OKDJKHWMAMWHLX-ZDUSSCGKSA-N 0 3 301.814 2.893 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H](CO)CC(C)C)c1[O-] ZINC000290486921 426775167 /nfs/dbraw/zinc/77/51/67/426775167.db2.gz OKDJKHWMAMWHLX-ZDUSSCGKSA-N 0 3 301.814 2.893 20 10 DFCDHN COCC[C@H](CO)N[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000281565686 426723666 /nfs/dbraw/zinc/72/36/66/426723666.db2.gz KBIPIMHOACWULL-GDBMZVCRSA-N 0 3 324.440 2.864 20 10 DFCDHN CCN(Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCNC1=O ZINC000281653945 426737211 /nfs/dbraw/zinc/73/72/11/426737211.db2.gz BVKZCHYTKNAPPK-QGZVFWFLSA-N 0 3 310.397 2.770 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1[O-] ZINC000179662429 426809358 /nfs/dbraw/zinc/80/93/58/426809358.db2.gz LHFGDVJLDVXUHH-UHFFFAOYSA-N 0 3 322.836 2.845 20 10 DFCDHN CNC(=O)C1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000179821544 426819317 /nfs/dbraw/zinc/81/93/17/426819317.db2.gz YFPZCDSYYUYKDZ-UHFFFAOYSA-N 0 3 315.461 2.635 20 10 DFCDHN CC[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1ccccc1[O-] ZINC000274921015 426856699 /nfs/dbraw/zinc/85/66/99/426856699.db2.gz PBKFNYUHIKNPGJ-VDZJLULYSA-N 0 3 315.413 2.918 20 10 DFCDHN C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282473232 426915384 /nfs/dbraw/zinc/91/53/84/426915384.db2.gz UVUVKQITTDHZIA-FZKQIMNGSA-N 0 3 310.397 2.673 20 10 DFCDHN C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282473242 426915880 /nfs/dbraw/zinc/91/58/80/426915880.db2.gz UVUVKQITTDHZIA-UGSOOPFHSA-N 0 3 310.397 2.673 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000291001137 426872900 /nfs/dbraw/zinc/87/29/00/426872900.db2.gz AWWOIMMGTJZYEJ-HKUYNNGSSA-N 0 3 313.397 2.657 20 10 DFCDHN CCOc1cccc(CN2CC[C@H](n3cc(C)cn3)C2)c1O ZINC000290957399 426873255 /nfs/dbraw/zinc/87/32/55/426873255.db2.gz RGSJWPFFTHYGSG-HNNXBMFYSA-N 0 3 301.390 2.743 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c1[O-] ZINC000290957399 426873258 /nfs/dbraw/zinc/87/32/58/426873258.db2.gz RGSJWPFFTHYGSG-HNNXBMFYSA-N 0 3 301.390 2.743 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c1[O-] ZINC000290957399 426873263 /nfs/dbraw/zinc/87/32/63/426873263.db2.gz RGSJWPFFTHYGSG-HNNXBMFYSA-N 0 3 301.390 2.743 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCC(=O)NC23CCC3)c1[O-] ZINC000282834346 426925414 /nfs/dbraw/zinc/92/54/14/426925414.db2.gz CAPWWYKGSSLAIV-ZDUSSCGKSA-N 0 3 308.809 2.645 20 10 DFCDHN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])N(C)C(=O)OC(C)(C)C ZINC000283147826 426964947 /nfs/dbraw/zinc/96/49/47/426964947.db2.gz XGCBEVHQJDKHHI-LLVKDONJSA-N 0 3 312.385 2.876 20 10 DFCDHN CCN(CC)c1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000276767392 427119211 /nfs/dbraw/zinc/11/92/11/427119211.db2.gz HTWAPFUHYWIAFB-SFHVURJKSA-N 0 3 315.461 2.730 20 10 DFCDHN C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296225054 427119147 /nfs/dbraw/zinc/11/91/47/427119147.db2.gz AEHOLBBFKSTEGZ-DGCLKSJQSA-N 0 3 306.406 2.882 20 10 DFCDHN COC[C@H](CCO)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269015762 427145751 /nfs/dbraw/zinc/14/57/51/427145751.db2.gz ODNUYPBRIWRLOT-WBVHZDCISA-N 0 3 306.450 2.725 20 10 DFCDHN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000249926425 427149189 /nfs/dbraw/zinc/14/91/89/427149189.db2.gz ZZZVWGXKLOJPQC-QLFBSQMISA-N 0 3 303.450 2.630 20 10 DFCDHN CCC[C@@H](C)C(=O)NCCNCc1ccc(N(C)C)c(F)c1 ZINC000292626777 427195965 /nfs/dbraw/zinc/19/59/65/427195965.db2.gz JFTMBKCUMBRHON-CYBMUJFWSA-N 0 3 309.429 2.534 20 10 DFCDHN CCCOc1ccc(C[NH2+]CCc2nccnc2C)c([O-])c1 ZINC000292974403 427209511 /nfs/dbraw/zinc/20/95/11/427209511.db2.gz KOGAPDLTWBDTLR-UHFFFAOYSA-N 0 3 301.390 2.612 20 10 DFCDHN COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(OC)ccc1O ZINC000183386962 427259723 /nfs/dbraw/zinc/25/97/23/427259723.db2.gz YGNJPCITBDESDA-UHOFOFEASA-N 0 3 319.401 2.707 20 10 DFCDHN C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1[O-] ZINC000183486019 427279632 /nfs/dbraw/zinc/27/96/32/427279632.db2.gz QYSDZMOQOJLDFE-AWEZNQCLSA-N 0 3 314.433 2.994 20 10 DFCDHN CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])CC2 ZINC000183654117 427310994 /nfs/dbraw/zinc/31/09/94/427310994.db2.gz LFOGSZXXQASFAO-QWHCGFSZSA-N 0 3 300.406 2.773 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000269845234 427288341 /nfs/dbraw/zinc/28/83/41/427288341.db2.gz WMWDTJSLCQOTSE-LJQANCHMSA-N 0 3 313.397 2.715 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC3(CCOCC3)[C@@H]1C1CC1)OCO2 ZINC000293590941 427372790 /nfs/dbraw/zinc/37/27/90/427372790.db2.gz IMIVLXDTPGEKIS-KRWDZBQOSA-N 0 3 317.385 2.512 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CC3(CCOCC3)[C@@H]1C1CC1)OCO2 ZINC000293590941 427372796 /nfs/dbraw/zinc/37/27/96/427372796.db2.gz IMIVLXDTPGEKIS-KRWDZBQOSA-N 0 3 317.385 2.512 20 10 DFCDHN COC1CCN(c2ccc(CN(C)[C@H]3CCOC3)cc2)CC1 ZINC000297330304 427401496 /nfs/dbraw/zinc/40/14/96/427401496.db2.gz AERLFHWOBUIUAJ-KRWDZBQOSA-N 0 3 304.434 2.523 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000278131095 427413324 /nfs/dbraw/zinc/41/33/24/427413324.db2.gz CFGLDQPNGJKEDF-GXTWGEPZSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000278131095 427413329 /nfs/dbraw/zinc/41/33/29/427413329.db2.gz CFGLDQPNGJKEDF-GXTWGEPZSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1cccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278131095 427413334 /nfs/dbraw/zinc/41/33/34/427413334.db2.gz CFGLDQPNGJKEDF-GXTWGEPZSA-N 0 3 303.324 2.836 20 10 DFCDHN CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000293754148 427426358 /nfs/dbraw/zinc/42/63/58/427426358.db2.gz QQBWSURCROVUAY-HUUCEWRRSA-N 0 3 305.466 2.956 20 10 DFCDHN CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297698148 427431938 /nfs/dbraw/zinc/43/19/38/427431938.db2.gz MFOQLLVCYXYSIE-QLFBSQMISA-N 0 3 302.418 2.616 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)c1 ZINC000271180034 427436461 /nfs/dbraw/zinc/43/64/61/427436461.db2.gz KXVLFMGWJFJGBD-HNNXBMFYSA-N 0 3 319.401 2.566 20 10 DFCDHN CCCOc1ccc(C[N@H+](C)CCc2noc(C)n2)c([O-])c1 ZINC000271189462 427437523 /nfs/dbraw/zinc/43/75/23/427437523.db2.gz ROOVIUTUEWMPCW-UHFFFAOYSA-N 0 3 305.378 2.547 20 10 DFCDHN CCCOc1ccc(C[N@@H+](C)CCc2noc(C)n2)c([O-])c1 ZINC000271189462 427437528 /nfs/dbraw/zinc/43/75/28/427437528.db2.gz ROOVIUTUEWMPCW-UHFFFAOYSA-N 0 3 305.378 2.547 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000278424842 427439928 /nfs/dbraw/zinc/43/99/28/427439928.db2.gz GJAQBIZQTKDJRB-CVEARBPZSA-N 0 3 306.450 2.852 20 10 DFCDHN CCC[N@H+](Cc1cnn(CCOC)c1)Cc1ccccc1[O-] ZINC000271195414 427443123 /nfs/dbraw/zinc/44/31/23/427443123.db2.gz ODIPMVREIKUJMR-UHFFFAOYSA-N 0 3 303.406 2.647 20 10 DFCDHN CCC[N@@H+](Cc1cnn(CCOC)c1)Cc1ccccc1[O-] ZINC000271195414 427443127 /nfs/dbraw/zinc/44/31/27/427443127.db2.gz ODIPMVREIKUJMR-UHFFFAOYSA-N 0 3 303.406 2.647 20 10 DFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@]1(CCO)CCOC1 ZINC000278507232 427443816 /nfs/dbraw/zinc/44/38/16/427443816.db2.gz PAOFWPZAAGCYTQ-IBGZPJMESA-N 0 3 313.397 2.690 20 10 DFCDHN Cn1nncc1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293978001 427509782 /nfs/dbraw/zinc/50/97/82/427509782.db2.gz BDSYAWPSIYQIID-SFHVURJKSA-N 0 3 322.412 2.984 20 10 DFCDHN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cn1 ZINC000279126073 427568343 /nfs/dbraw/zinc/56/83/43/427568343.db2.gz QOILINRCOFPWIB-SNVBAGLBSA-N 0 3 303.337 2.736 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@@H](NC(=O)C(C)(C)C)C2)c1 ZINC000271759345 427585453 /nfs/dbraw/zinc/58/54/53/427585453.db2.gz YDEZIQXIYPYUMO-CQSZACIVSA-N 0 3 320.433 2.528 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1OC ZINC000271857524 427590969 /nfs/dbraw/zinc/59/09/69/427590969.db2.gz VAXZMUKTZNFTSK-CYBMUJFWSA-N 0 3 323.433 2.688 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000271853990 427592834 /nfs/dbraw/zinc/59/28/34/427592834.db2.gz RYDODBFDEWFDBK-ZFWWWQNUSA-N 0 3 301.386 2.655 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c([O-])c1 ZINC000185127878 427598507 /nfs/dbraw/zinc/59/85/07/427598507.db2.gz LGXGAOFDYBJUPD-DZGCQCFKSA-N 0 3 319.376 2.930 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294861495 427664221 /nfs/dbraw/zinc/66/42/21/427664221.db2.gz TWVDUDVHROZSBD-AWEZNQCLSA-N 0 3 304.434 2.814 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294861495 427664230 /nfs/dbraw/zinc/66/42/30/427664230.db2.gz TWVDUDVHROZSBD-AWEZNQCLSA-N 0 3 304.434 2.814 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]CCc2cnc3c(Cl)cnn3c2)c1 ZINC000295048608 427672374 /nfs/dbraw/zinc/67/23/74/427672374.db2.gz FMXHFLNQIUAYHH-UHFFFAOYSA-N 0 3 316.792 2.729 20 10 DFCDHN Cc1ccc([C@@H](C)NCc2ccc(C)n(C)c2=O)c(O)c1C ZINC000279561818 427703762 /nfs/dbraw/zinc/70/37/62/427703762.db2.gz RYZLHOYVGXRBLE-CQSZACIVSA-N 0 3 300.402 2.867 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c([O-])c1C ZINC000279561818 427703767 /nfs/dbraw/zinc/70/37/67/427703767.db2.gz RYZLHOYVGXRBLE-CQSZACIVSA-N 0 3 300.402 2.867 20 10 DFCDHN CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000295131215 427705081 /nfs/dbraw/zinc/70/50/81/427705081.db2.gz ONIQDVUQAILOAC-SNVBAGLBSA-N 0 3 321.295 2.568 20 10 DFCDHN CN(C)c1ccc(CN(C)[C@H]2CCOC2)c(C(F)(F)F)c1 ZINC000279594308 427710314 /nfs/dbraw/zinc/71/03/14/427710314.db2.gz HVINABCPSHTNPH-ZDUSSCGKSA-N 0 3 302.340 2.992 20 10 DFCDHN CC[C@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000280011170 427727181 /nfs/dbraw/zinc/72/71/81/427727181.db2.gz GSHPFPAUYKPYFZ-INMHGKMJSA-N 0 3 306.450 2.851 20 10 DFCDHN CC(C)N1CC[C@H](N[C@@H](C)c2cc3c(cc2O)CCCC3)C1=O ZINC000186048364 427744404 /nfs/dbraw/zinc/74/44/04/427744404.db2.gz OQDYMFQWABEXEC-GUYCJALGSA-N 0 3 316.445 2.931 20 10 DFCDHN CC[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000369874679 428079256 /nfs/dbraw/zinc/07/92/56/428079256.db2.gz QNLVHUAPOQIONR-OALUTQOASA-N 0 3 318.461 2.913 20 10 DFCDHN CC[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@]2(CCCOC2)O1 ZINC000369874681 428080046 /nfs/dbraw/zinc/08/00/46/428080046.db2.gz QNLVHUAPOQIONR-RTBURBONSA-N 0 3 318.461 2.913 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN2c2cccnn2)c1 ZINC000359961890 428093921 /nfs/dbraw/zinc/09/39/21/428093921.db2.gz UESYVALMKVAVMQ-HUUCEWRRSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCN2c2cccnn2)c1 ZINC000359961888 428094739 /nfs/dbraw/zinc/09/47/39/428094739.db2.gz UESYVALMKVAVMQ-CABCVRRESA-N 0 3 312.417 2.810 20 10 DFCDHN c1cc(N2CCOCC2)ccc1CN1CCOCC2(CCC2)C1 ZINC000371881358 428407587 /nfs/dbraw/zinc/40/75/87/428407587.db2.gz HBUMHGVCFBHVBI-UHFFFAOYSA-N 0 3 316.445 2.526 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000372435627 428446034 /nfs/dbraw/zinc/44/60/34/428446034.db2.gz MLSJCGPLSRSKEP-AWEZNQCLSA-N 0 3 313.401 2.961 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000372435627 428446038 /nfs/dbraw/zinc/44/60/38/428446038.db2.gz MLSJCGPLSRSKEP-AWEZNQCLSA-N 0 3 313.401 2.961 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000372636771 428479699 /nfs/dbraw/zinc/47/96/99/428479699.db2.gz GOWPZHFYFOOOME-QGZVFWFLSA-N 0 3 322.836 2.798 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000372636771 428479702 /nfs/dbraw/zinc/47/97/02/428479702.db2.gz GOWPZHFYFOOOME-QGZVFWFLSA-N 0 3 322.836 2.798 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CN2CCCC[C@H]2CO1)c1ccccc1[O-] ZINC000372802378 428504422 /nfs/dbraw/zinc/50/44/22/428504422.db2.gz MBNCMLVBJVGCMM-ZOBUZTSGSA-N 0 3 304.434 2.686 20 10 DFCDHN Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000373142210 428518194 /nfs/dbraw/zinc/51/81/94/428518194.db2.gz SVQCKXWNSCMGKY-OAHLLOKOSA-N 0 3 304.369 2.577 20 10 DFCDHN Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000373142210 428518197 /nfs/dbraw/zinc/51/81/97/428518197.db2.gz SVQCKXWNSCMGKY-OAHLLOKOSA-N 0 3 304.369 2.577 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000373225544 428524745 /nfs/dbraw/zinc/52/47/45/428524745.db2.gz AOQDRUNPRINYAB-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000373225544 428524749 /nfs/dbraw/zinc/52/47/49/428524749.db2.gz AOQDRUNPRINYAB-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@H]2c2cn(C)nc2C)c1 ZINC000362043235 428612601 /nfs/dbraw/zinc/61/26/01/428612601.db2.gz DRZZKMLQRJZWNJ-INIZCTEOSA-N 0 3 301.390 2.780 20 10 DFCDHN COc1ccc(O)c(CN2CC(C)(C)O[C@]3(CCCOC3)C2)c1 ZINC000373608224 428618006 /nfs/dbraw/zinc/61/80/06/428618006.db2.gz IOZJXXQYPYKMPK-GOSISDBHSA-N 0 3 321.417 2.561 20 10 DFCDHN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cccc(C)c1O ZINC000284798146 274063299 /nfs/dbraw/zinc/06/32/99/274063299.db2.gz ZSZIURNVKHPTCX-GVDBMIGSSA-N 0 3 305.418 2.717 20 10 DFCDHN COc1cc(O)c(CN2CCCO[C@@H]3CCC[C@H]32)cc1OC ZINC000374122198 428663389 /nfs/dbraw/zinc/66/33/89/428663389.db2.gz UPFQPHLIIPEGNJ-UKRRQHHQSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCO[C@@H]3CCC[C@H]32)cc1OC ZINC000374122198 428663394 /nfs/dbraw/zinc/66/33/94/428663394.db2.gz UPFQPHLIIPEGNJ-UKRRQHHQSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)cc1OC ZINC000374122198 428663400 /nfs/dbraw/zinc/66/34/00/428663400.db2.gz UPFQPHLIIPEGNJ-UKRRQHHQSA-N 0 3 307.390 2.553 20 10 DFCDHN Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C2 ZINC000363854787 429000300 /nfs/dbraw/zinc/00/03/00/429000300.db2.gz ADVIEVZWWLQCIP-IINYFYTJSA-N 0 3 301.365 2.838 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c([O-])c1 ZINC000363935477 429143651 /nfs/dbraw/zinc/14/36/51/429143651.db2.gz BGTRVLKDJFFYEI-CQSZACIVSA-N 0 3 301.390 2.551 20 10 DFCDHN CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000364290210 429176817 /nfs/dbraw/zinc/17/68/17/429176817.db2.gz LSEMAJKYIDPEIC-HNNXBMFYSA-N 0 3 300.406 2.692 20 10 DFCDHN CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000364290210 429176819 /nfs/dbraw/zinc/17/68/19/429176819.db2.gz LSEMAJKYIDPEIC-HNNXBMFYSA-N 0 3 300.406 2.692 20 10 DFCDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@H](C)c1cc(OC)ccc1[O-])C2 ZINC000364630384 429238740 /nfs/dbraw/zinc/23/87/40/429238740.db2.gz HCLGRXWFIGSECV-VBHSOAQHSA-N 0 3 319.401 2.737 20 10 DFCDHN COC(=O)[C@]12CCC[C@H]1C[N@H+]([C@H](C)c1cc(OC)ccc1[O-])C2 ZINC000364630384 429238745 /nfs/dbraw/zinc/23/87/45/429238745.db2.gz HCLGRXWFIGSECV-VBHSOAQHSA-N 0 3 319.401 2.737 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000367309886 429618778 /nfs/dbraw/zinc/61/87/78/429618778.db2.gz YWKMWNAQYDMXFG-NVXWUHKLSA-N 0 3 304.434 2.640 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000367309886 429618786 /nfs/dbraw/zinc/61/87/86/429618786.db2.gz YWKMWNAQYDMXFG-NVXWUHKLSA-N 0 3 304.434 2.640 20 10 DFCDHN COC(=O)[C@H]1C[N@@H+]([C@H](C)c2cc(OC)ccc2[O-])CC12CCC2 ZINC000367371709 429635222 /nfs/dbraw/zinc/63/52/22/429635222.db2.gz QUGXZSJQQBUTMZ-IUODEOHRSA-N 0 3 319.401 2.737 20 10 DFCDHN COC(=O)[C@H]1C[N@H+]([C@H](C)c2cc(OC)ccc2[O-])CC12CCC2 ZINC000367371709 429635225 /nfs/dbraw/zinc/63/52/25/429635225.db2.gz QUGXZSJQQBUTMZ-IUODEOHRSA-N 0 3 319.401 2.737 20 10 DFCDHN FC(F)(F)Oc1ccc(N2CCC(NC3COC3)CC2)cc1 ZINC000367268582 429609351 /nfs/dbraw/zinc/60/93/51/429609351.db2.gz AGMVCQLACCCWBC-UHFFFAOYSA-N 0 3 316.323 2.542 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000367667734 429695162 /nfs/dbraw/zinc/69/51/62/429695162.db2.gz CZRHCYOBGRXTOE-YQQAZPJKSA-N 0 3 304.434 2.638 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000367667734 429695164 /nfs/dbraw/zinc/69/51/64/429695164.db2.gz CZRHCYOBGRXTOE-YQQAZPJKSA-N 0 3 304.434 2.638 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c([O-])c1C ZINC000368329754 429831988 /nfs/dbraw/zinc/83/19/88/429831988.db2.gz DXHXIKFKIVRACS-HOCLYGCPSA-N 0 3 304.434 2.523 20 10 DFCDHN [O-]c1c(Br)cccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530178710 430101192 /nfs/dbraw/zinc/10/11/92/430101192.db2.gz MQYFGAXBNLIIQM-GFCCVEGCSA-N 0 3 311.223 2.529 20 10 DFCDHN CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287628466 288038068 /nfs/dbraw/zinc/03/80/68/288038068.db2.gz KDACBSMCHWIVAA-AWEZNQCLSA-N 0 3 312.841 2.543 20 10 DFCDHN CC(C)(O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183156508 278648938 /nfs/dbraw/zinc/64/89/38/278648938.db2.gz SJWKIQJNDLHJJB-UHFFFAOYSA-N 0 3 301.386 2.832 20 10 DFCDHN O=C(c1cn[n-]c1[C@H]1CC[NH2+]C1)N1CC2(CCC2)c2ccccc21 ZINC000662544741 431110628 /nfs/dbraw/zinc/11/06/28/431110628.db2.gz GLSOSKKSBDZOBT-ZDUSSCGKSA-N 0 3 322.412 2.569 20 10 DFCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1[O-] ZINC000183620888 279456139 /nfs/dbraw/zinc/45/61/39/279456139.db2.gz AIOTVDYEOPKIFP-YJLNNSPDSA-N 0 3 318.461 2.811 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@H](CO)C2CCCCC2)cc1OC ZINC000293707155 335112456 /nfs/dbraw/zinc/11/24/56/335112456.db2.gz SDVVHTYGDJQPCT-OAHLLOKOSA-N 0 3 323.433 2.688 20 10 DFCDHN CN1C[C@H]([NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC1=O ZINC000293758192 335113054 /nfs/dbraw/zinc/11/30/54/335113054.db2.gz OSGZLBXIRZQGEY-SJLPKXTDSA-N 0 3 324.424 2.886 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccccc1[O-] ZINC000293662884 335114646 /nfs/dbraw/zinc/11/46/46/335114646.db2.gz LZOFWMOEJAQRDE-SQWLQELKSA-N 0 3 311.447 2.789 20 10 DFCDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])[C@@H](C)CO ZINC000293673638 335114866 /nfs/dbraw/zinc/11/48/66/335114866.db2.gz PAOLZVNNRGMFBB-JTQLQIEISA-N 0 3 302.212 2.666 20 10 DFCDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])[C@@H](C)CO ZINC000293673638 335114867 /nfs/dbraw/zinc/11/48/67/335114867.db2.gz PAOLZVNNRGMFBB-JTQLQIEISA-N 0 3 302.212 2.666 20 10 DFCDHN CC[C@H](O)C[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000293899149 335115374 /nfs/dbraw/zinc/11/53/74/335115374.db2.gz ZNESOUWEDKSLRZ-KOLCDFICSA-N 0 3 302.212 2.885 20 10 DFCDHN CCOc1ccc(O)c(CN2CCCNC(=O)[C@H]2CC(C)C)c1 ZINC000293821912 335117917 /nfs/dbraw/zinc/11/79/17/335117917.db2.gz FVDLFEJHFIBPNY-MRXNPFEDSA-N 0 3 320.433 2.528 20 10 DFCDHN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000294766848 335127626 /nfs/dbraw/zinc/12/76/26/335127626.db2.gz YVYZOHSQQQXIAV-GOEBONIOSA-N 0 3 304.434 2.692 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+](C)CC(C)(C)CO)c1[O-] ZINC000294905858 335130413 /nfs/dbraw/zinc/13/04/13/335130413.db2.gz XQFHVOZIXAVFIM-UHFFFAOYSA-N 0 3 316.239 2.913 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+](C)CC(C)(C)CO)c1[O-] ZINC000294905858 335130414 /nfs/dbraw/zinc/13/04/14/335130414.db2.gz XQFHVOZIXAVFIM-UHFFFAOYSA-N 0 3 316.239 2.913 20 10 DFCDHN COc1cc(O)c(CN(C)[C@H](CO)c2ccccc2)cc1OC ZINC000295132815 335132505 /nfs/dbraw/zinc/13/25/05/335132505.db2.gz YJISHHULIQXQQQ-OAHLLOKOSA-N 0 3 317.385 2.575 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)CC2CCN(C)CC2)c1[O-] ZINC000184688818 333363891 /nfs/dbraw/zinc/36/38/91/333363891.db2.gz MBBYMKXGTUHYIP-UHFFFAOYSA-N 0 3 312.841 2.828 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)CC2CCN(C)CC2)c1[O-] ZINC000184688818 333363892 /nfs/dbraw/zinc/36/38/92/333363892.db2.gz MBBYMKXGTUHYIP-UHFFFAOYSA-N 0 3 312.841 2.828 20 10 DFCDHN CN(C)[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000063255908 333446909 /nfs/dbraw/zinc/44/69/09/333446909.db2.gz PVCOGPQPDRPZKB-OAHLLOKOSA-N 0 3 314.385 2.513 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCC3(CCOCC3)[C@H]1O)CC2 ZINC000296476074 335142294 /nfs/dbraw/zinc/14/22/94/335142294.db2.gz OUFRMFQSUHKXOF-RKVPGOIHSA-N 0 3 317.429 2.537 20 10 DFCDHN C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000273463347 334047334 /nfs/dbraw/zinc/04/73/34/334047334.db2.gz INLLQLHYZPNNTC-NHYWBVRUSA-N 0 3 307.340 2.925 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1 ZINC000283018053 334138651 /nfs/dbraw/zinc/13/86/51/334138651.db2.gz MABHLDQVEGDJKW-GOSISDBHSA-N 0 3 301.386 2.841 20 10 DFCDHN COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CCc3cccc([O-])c31)C2 ZINC000296833280 334237088 /nfs/dbraw/zinc/23/70/88/334237088.db2.gz MQRNXJQBYLKAKX-ZBFHGGJFSA-N 0 3 311.381 2.981 20 10 DFCDHN CCn1nccc1CCN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000367120339 336029472 /nfs/dbraw/zinc/02/94/72/336029472.db2.gz FLCNYMKSZYQKNQ-UHFFFAOYSA-N 0 3 310.445 2.911 20 10 DFCDHN Cc1c2ccccc2n(C)c1CNC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000352136309 336196257 /nfs/dbraw/zinc/19/62/57/336196257.db2.gz XVLCNZMBVZJHMC-OKILXGFUSA-N 0 3 313.445 2.976 20 10 DFCDHN CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000192905086 336283291 /nfs/dbraw/zinc/28/32/91/336283291.db2.gz PHSQVOQWJLVBTJ-CYBMUJFWSA-N 0 3 306.406 2.972 20 10 DFCDHN Oc1cc2c(cc1CN1CCC(OCC3CC3)CC1)OCO2 ZINC000360502616 336713272 /nfs/dbraw/zinc/71/32/72/336713272.db2.gz GELNDLLMOYOFSL-UHFFFAOYSA-N 0 3 305.374 2.512 20 10 DFCDHN CCn1ncc2c1CCC[C@H]2NCc1cccc(OC)c1O ZINC000361732114 336770278 /nfs/dbraw/zinc/77/02/78/336770278.db2.gz FGKNDHMVBIVPTI-CQSZACIVSA-N 0 3 301.390 2.784 20 10 DFCDHN Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccccc3[O-])C2)nn1 ZINC000371674096 336910387 /nfs/dbraw/zinc/91/03/87/336910387.db2.gz DFRXFMUSWZQUQL-HUUCEWRRSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2N2CCOCC2)c1 ZINC000371868798 336915243 /nfs/dbraw/zinc/91/52/43/336915243.db2.gz CCNGNPCDWIPUKO-XYJFISCASA-N 0 3 318.461 2.852 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000375097112 337003244 /nfs/dbraw/zinc/00/32/44/337003244.db2.gz PWAQUODNUBGHCN-HNNXBMFYSA-N 0 3 322.412 2.890 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000375097112 337003245 /nfs/dbraw/zinc/00/32/45/337003245.db2.gz PWAQUODNUBGHCN-HNNXBMFYSA-N 0 3 322.412 2.890 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000375972000 337024414 /nfs/dbraw/zinc/02/44/14/337024414.db2.gz CTIWZLPRUTUMJV-HOCLYGCPSA-N 0 3 300.406 2.847 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000375972000 337024415 /nfs/dbraw/zinc/02/44/15/337024415.db2.gz CTIWZLPRUTUMJV-HOCLYGCPSA-N 0 3 300.406 2.847 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000375972001 337024419 /nfs/dbraw/zinc/02/44/19/337024419.db2.gz CTIWZLPRUTUMJV-ZBFHGGJFSA-N 0 3 300.406 2.847 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000375972001 337024420 /nfs/dbraw/zinc/02/44/20/337024420.db2.gz CTIWZLPRUTUMJV-ZBFHGGJFSA-N 0 3 300.406 2.847 20 10 DFCDHN CCc1nnc2n1C[C@@H]([NH2+][C@H](CC)c1ccccc1[O-])CC2 ZINC000376317627 337031275 /nfs/dbraw/zinc/03/12/75/337031275.db2.gz ACQOHLIAXHIYFG-GXTWGEPZSA-N 0 3 300.406 2.602 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CN3CCCC[C@@H]3CO2)c1 ZINC000376895030 337043350 /nfs/dbraw/zinc/04/33/50/337043350.db2.gz UYVZZRLPMVKMKF-XHSDSOJGSA-N 0 3 304.434 2.605 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000377684881 337058328 /nfs/dbraw/zinc/05/83/28/337058328.db2.gz YPFCSYKDVVQCEZ-CRAIPNDOSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000377684881 337058329 /nfs/dbraw/zinc/05/83/29/337058329.db2.gz YPFCSYKDVVQCEZ-CRAIPNDOSA-N 0 3 302.418 2.788 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+](C)C[C@H]2CCn3ccnc3C2)c1 ZINC000377860818 337062926 /nfs/dbraw/zinc/06/29/26/337062926.db2.gz OFMQMGVADRXLEH-KBPBESRZSA-N 0 3 315.417 2.853 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+](C)C[C@H]2CCn3ccnc3C2)c1 ZINC000377860818 337062927 /nfs/dbraw/zinc/06/29/27/337062927.db2.gz OFMQMGVADRXLEH-KBPBESRZSA-N 0 3 315.417 2.853 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000378490566 337074219 /nfs/dbraw/zinc/07/42/19/337074219.db2.gz DUGMVCQJTJUUAB-HZPDHXFCSA-N 0 3 306.381 2.507 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000378490566 337074220 /nfs/dbraw/zinc/07/42/20/337074220.db2.gz DUGMVCQJTJUUAB-HZPDHXFCSA-N 0 3 306.381 2.507 20 10 DFCDHN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1ccccc1[O-] ZINC000194260257 337089135 /nfs/dbraw/zinc/08/91/35/337089135.db2.gz STYZXLPFWSTTCQ-ZWKOTPCHSA-N 0 3 319.493 2.705 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)c([O-])c1 ZINC000194261511 337089449 /nfs/dbraw/zinc/08/94/49/337089449.db2.gz YRYLGKBHLHLTQB-SJLPKXTDSA-N 0 3 319.493 2.623 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1[O-] ZINC000179590560 337170435 /nfs/dbraw/zinc/17/04/35/337170435.db2.gz IRDQWFCHNYCLJK-UHFFFAOYSA-N 0 3 316.445 2.925 20 10 DFCDHN Cc1nc(C[C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000180048899 337173426 /nfs/dbraw/zinc/17/34/26/337173426.db2.gz PVQHNVPCHVLYRH-LBPRGKRZSA-N 0 3 305.353 2.677 20 10 DFCDHN Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000180048899 337173427 /nfs/dbraw/zinc/17/34/27/337173427.db2.gz PVQHNVPCHVLYRH-LBPRGKRZSA-N 0 3 305.353 2.677 20 10 DFCDHN CN(C)c1ccc(CN2CCCN(c3ccccn3)CC2)cc1 ZINC000184806435 337200321 /nfs/dbraw/zinc/20/03/21/337200321.db2.gz BWNNJSZBSOJMRE-UHFFFAOYSA-N 0 3 310.445 2.860 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)c([O-])c1 ZINC000186051285 337253039 /nfs/dbraw/zinc/25/30/39/337253039.db2.gz YCQJIISQFAGSQS-CABCVRRESA-N 0 3 312.417 2.810 20 10 DFCDHN C[C@@]1(CNCc2ccc3c(c2)CCO3)COc2ccccc2O1 ZINC000527737542 337759523 /nfs/dbraw/zinc/75/95/23/337759523.db2.gz WABLQPMBGXRIOM-LJQANCHMSA-N 0 3 311.381 2.941 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000528016715 337784033 /nfs/dbraw/zinc/78/40/33/337784033.db2.gz UQDLLPPJDOZCEJ-CYBMUJFWSA-N 0 3 320.433 2.700 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(C)COc3ccccc3O2)c1 ZINC000529636478 340765854 /nfs/dbraw/zinc/76/58/54/340765854.db2.gz CSCGLRLZHFXFEM-SFHVURJKSA-N 0 3 315.369 2.721 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1 ZINC000266143613 521151947 /nfs/dbraw/zinc/15/19/47/521151947.db2.gz HWFIIJLIKGLNNY-GOSISDBHSA-N 0 3 319.401 2.998 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1[O-] ZINC000155658193 522606196 /nfs/dbraw/zinc/60/61/96/522606196.db2.gz ZJQLFDRNCDFRRJ-AEFFLSMTSA-N 0 3 319.493 2.707 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CC2(O)CCCCCC2)cc1OC ZINC000182397634 522778927 /nfs/dbraw/zinc/77/89/27/522778927.db2.gz KUNBZDNXLLQANG-UHFFFAOYSA-N 0 3 309.406 2.584 20 10 DFCDHN COCCO[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000188917224 524036869 /nfs/dbraw/zinc/03/68/69/524036869.db2.gz VZDBWGPQJQELBR-HNNXBMFYSA-N 0 3 301.386 2.783 20 10 DFCDHN COCCO[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000188917224 524036870 /nfs/dbraw/zinc/03/68/70/524036870.db2.gz VZDBWGPQJQELBR-HNNXBMFYSA-N 0 3 301.386 2.783 20 10 DFCDHN Cc1cccc(CN[C@H](C[S@](C)=O)c2ccccc2)c1O ZINC000182101778 524440594 /nfs/dbraw/zinc/44/05/94/524440594.db2.gz BFYGOBGVANBONT-IERDGZPVSA-N 0 3 303.427 2.910 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000180719897 524745189 /nfs/dbraw/zinc/74/51/89/524745189.db2.gz SVTULUAIWURACR-CJNGLKHVSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000180719897 524745200 /nfs/dbraw/zinc/74/52/00/524745200.db2.gz SVTULUAIWURACR-CJNGLKHVSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1ccc(O)c(CN[C@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000182101078 524755369 /nfs/dbraw/zinc/75/53/69/524755369.db2.gz OIKBWYKGOZHXNT-OPAMFIHVSA-N 0 3 319.426 2.610 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000180655656 524866560 /nfs/dbraw/zinc/86/65/60/524866560.db2.gz WJKHDVJEUDEWSM-CZUORRHYSA-N 0 3 324.852 2.507 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000180655656 524866565 /nfs/dbraw/zinc/86/65/65/524866565.db2.gz WJKHDVJEUDEWSM-CZUORRHYSA-N 0 3 324.852 2.507 20 10 DFCDHN COc1ccc([C@@H](CO)N(C)Cc2cccc(C)c2O)cc1 ZINC000180253237 525190382 /nfs/dbraw/zinc/19/03/82/525190382.db2.gz AEBRGTBLYCAQGP-QGZVFWFLSA-N 0 3 301.386 2.875 20 10 DFCDHN COc1ccc([C@@H](CO)[N@H+](C)Cc2cccc(C)c2[O-])cc1 ZINC000180253237 525190388 /nfs/dbraw/zinc/19/03/88/525190388.db2.gz AEBRGTBLYCAQGP-QGZVFWFLSA-N 0 3 301.386 2.875 20 10 DFCDHN COc1ccc([C@@H](CO)[N@@H+](C)Cc2cccc(C)c2[O-])cc1 ZINC000180253237 525190395 /nfs/dbraw/zinc/19/03/95/525190395.db2.gz AEBRGTBLYCAQGP-QGZVFWFLSA-N 0 3 301.386 2.875 20 10 DFCDHN C[C@@H](NCC(=O)NCC1CC1)c1ccc(N2CCCCC2)cc1 ZINC000181289158 525409395 /nfs/dbraw/zinc/40/93/95/525409395.db2.gz VYVTWQHTLBEJNB-OAHLLOKOSA-N 0 3 315.461 2.854 20 10 DFCDHN C[C@H](NC[C@H]1CN(C)CCO1)c1ccc(N2CCCCC2)cc1 ZINC000180491667 525419938 /nfs/dbraw/zinc/41/99/38/525419938.db2.gz LWXUJLQTOJDOTQ-LPHOPBHVSA-N 0 3 317.477 2.658 20 10 DFCDHN C[C@H](NCc1ccc2c(c1)CCO2)[C@H](O)c1cccc(F)c1 ZINC000267160762 525450255 /nfs/dbraw/zinc/45/02/55/525450255.db2.gz FUHZRSYYXOGPLI-SGTLLEGYSA-N 0 3 301.361 2.972 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000180120510 526763090 /nfs/dbraw/zinc/76/30/90/526763090.db2.gz AOVHWFZENNYJIU-INIZCTEOSA-N 0 3 314.433 2.821 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000180120510 526763096 /nfs/dbraw/zinc/76/30/96/526763096.db2.gz AOVHWFZENNYJIU-INIZCTEOSA-N 0 3 314.433 2.821 20 10 DFCDHN O=C1CCCCN1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180215179 526971173 /nfs/dbraw/zinc/97/11/73/526971173.db2.gz DDRQYRCBAKMKPW-UHFFFAOYSA-N 0 3 306.381 2.508 20 10 DFCDHN CC[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(C)C ZINC000298180673 535401075 /nfs/dbraw/zinc/40/10/75/535401075.db2.gz GMWDJQAEVVIUPF-KRWDZBQOSA-N 0 3 303.450 2.584 20 10 DFCDHN COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000273438729 536769611 /nfs/dbraw/zinc/76/96/11/536769611.db2.gz MLFFAXBDCIFMNM-DYVFJYSZSA-N 0 3 307.390 2.612 20 10 DFCDHN Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737271643 599102264 /nfs/dbraw/zinc/10/22/64/599102264.db2.gz XJEFHPMLVUYVQM-UHFFFAOYSA-N 0 3 322.416 2.531 20 10 DFCDHN C[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC000820431588 606996272 /nfs/dbraw/zinc/99/62/72/606996272.db2.gz GUFQMPLOIXYGDF-CYBMUJFWSA-N 0 3 322.416 2.784 20 10 DFCDHN C[C@@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000820431588 606996273 /nfs/dbraw/zinc/99/62/73/606996273.db2.gz GUFQMPLOIXYGDF-CYBMUJFWSA-N 0 3 322.416 2.784 20 10 DFCDHN COc1ccc(CN(C)Cc2cccc(OC)c2O)cc1O ZINC000092405120 185316582 /nfs/dbraw/zinc/31/65/82/185316582.db2.gz RCJNNSYKYUNYMH-UHFFFAOYSA-N 0 3 303.358 2.747 20 10 DFCDHN C[C@H](NC[C@@H]1CN2CCCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000090917690 398496775 /nfs/dbraw/zinc/49/67/75/398496775.db2.gz RUYSEBYIKFAGEP-KFKAGJAMSA-N 0 3 317.477 2.657 20 10 DFCDHN Nc1ccc(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000071700414 191010128 /nfs/dbraw/zinc/01/01/28/191010128.db2.gz NXLIZSRFCZSRSQ-LJQANCHMSA-N 0 3 323.440 2.765 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000093016314 193194479 /nfs/dbraw/zinc/19/44/79/193194479.db2.gz QZDDMYSQPLBFJE-UHFFFAOYSA-N 0 3 317.458 2.865 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000093016314 193194481 /nfs/dbraw/zinc/19/44/81/193194481.db2.gz QZDDMYSQPLBFJE-UHFFFAOYSA-N 0 3 317.458 2.865 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1 ZINC000093272695 193222710 /nfs/dbraw/zinc/22/27/10/193222710.db2.gz UCIUQWUVBJZOOP-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN COc1ccc([C@H](CO)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000093415235 193246740 /nfs/dbraw/zinc/24/67/40/193246740.db2.gz FANNISBHTKCQQS-IBGZPJMESA-N 0 3 314.429 2.927 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2COc3c(cccc3OC)C2)c1 ZINC000019635408 182134177 /nfs/dbraw/zinc/13/41/77/182134177.db2.gz FVNJIIAPJOLZQA-CQSZACIVSA-N 0 3 315.369 2.503 20 10 DFCDHN O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000052086454 542446497 /nfs/dbraw/zinc/44/64/97/542446497.db2.gz RGKODQNQUXRXNQ-KRWDZBQOSA-N 0 3 310.397 2.788 20 10 DFCDHN O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000052086454 542446499 /nfs/dbraw/zinc/44/64/99/542446499.db2.gz RGKODQNQUXRXNQ-KRWDZBQOSA-N 0 3 310.397 2.788 20 10 DFCDHN O=C(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])NCC1CC1 ZINC000272388818 130026277 /nfs/dbraw/zinc/02/62/77/130026277.db2.gz ZHCPVLVBHKEHSB-UHFFFAOYSA-N 0 3 310.397 2.675 20 10 DFCDHN C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000272900295 130072051 /nfs/dbraw/zinc/07/20/51/130072051.db2.gz UYBXQDUZOVIEAD-AWEZNQCLSA-N 0 3 319.426 2.658 20 10 DFCDHN C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000273077329 130088280 /nfs/dbraw/zinc/08/82/80/130088280.db2.gz PRWXLQRHZROZHO-YEJXKQKISA-N 0 3 303.427 2.916 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c([O-])c1C ZINC000273387083 130116421 /nfs/dbraw/zinc/11/64/21/130116421.db2.gz JTZSSCYTTWBGKO-OAHLLOKOSA-N 0 3 306.450 2.506 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000273470874 130124976 /nfs/dbraw/zinc/12/49/76/130124976.db2.gz JTCYQKFUGCNLTK-GXTWGEPZSA-N 0 3 307.390 2.737 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)c([O-])c1 ZINC000273476758 130126296 /nfs/dbraw/zinc/12/62/96/130126296.db2.gz KYWAZBXIRGGEGC-QILLFSRXSA-N 0 3 315.413 2.836 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c([O-])c1 ZINC000273511553 130131175 /nfs/dbraw/zinc/13/11/75/130131175.db2.gz RSJJDAQLIGVZNJ-BMGDILEWSA-N 0 3 318.461 2.729 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000273550396 130134909 /nfs/dbraw/zinc/13/49/09/130134909.db2.gz FTJOQFHDFNGTDY-KKUMJFAQSA-N 0 3 304.434 2.998 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c([O-])c1C ZINC000273595807 130141469 /nfs/dbraw/zinc/14/14/69/130141469.db2.gz QLOUJDCCRJJZKR-RHSMWYFYSA-N 0 3 319.493 2.543 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c([O-])c1 ZINC000274415956 130232466 /nfs/dbraw/zinc/23/24/66/130232466.db2.gz SNQRSRNHYUIPOZ-LBPRGKRZSA-N 0 3 303.431 2.896 20 10 DFCDHN CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000274596575 130249631 /nfs/dbraw/zinc/24/96/31/130249631.db2.gz GMAFRJDUEMBCBC-UONOGXRCSA-N 0 3 306.406 2.890 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000275448106 130320578 /nfs/dbraw/zinc/32/05/78/130320578.db2.gz GISFQANHSSMRDZ-DOTOQJQBSA-N 0 3 302.349 2.936 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C)c1[O-] ZINC000284649698 131101078 /nfs/dbraw/zinc/10/10/78/131101078.db2.gz OQMXUGBKQUCSJC-BBRMVZONSA-N 0 3 321.808 2.707 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cc(F)ccc1[O-] ZINC000285644000 131188783 /nfs/dbraw/zinc/18/87/83/131188783.db2.gz LCYLDWMVBQGEQO-CKUKBARFSA-N 0 3 308.397 2.875 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[O-] ZINC000285668751 131191565 /nfs/dbraw/zinc/19/15/65/131191565.db2.gz UDEYMVRFNOABAR-MLGOLLRUSA-N 0 3 320.408 2.793 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[O-] ZINC000285668754 131192013 /nfs/dbraw/zinc/19/20/13/131192013.db2.gz UDEYMVRFNOABAR-WBMJQRKESA-N 0 3 320.408 2.793 20 10 DFCDHN COc1cccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)c1[O-] ZINC000288654025 131333842 /nfs/dbraw/zinc/33/38/42/131333842.db2.gz VHECGFMVFFCOGO-CQSZACIVSA-N 0 3 303.333 2.633 20 10 DFCDHN COc1cccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1[O-] ZINC000289464513 131388882 /nfs/dbraw/zinc/38/88/82/131388882.db2.gz OTDXNGWCLFJIPT-PWSUYJOCSA-N 0 3 305.296 2.600 20 10 DFCDHN CCOCc1cc(CN[C@@H](C)Cn2cccn2)ccc1OC ZINC000299467820 132106968 /nfs/dbraw/zinc/10/69/68/132106968.db2.gz MCINKDFMGSVLTO-AWEZNQCLSA-N 0 3 303.406 2.607 20 10 DFCDHN CCOCc1cc(CN[C@H](C)Cn2cccn2)ccc1OC ZINC000299467821 132107456 /nfs/dbraw/zinc/10/74/56/132107456.db2.gz MCINKDFMGSVLTO-CQSZACIVSA-N 0 3 303.406 2.607 20 10 DFCDHN COc1cccc(CNc2ccc(OCCN(C)C)cc2)c1O ZINC000119679252 132135361 /nfs/dbraw/zinc/13/53/61/132135361.db2.gz BYXAEXJFSKIMTP-UHFFFAOYSA-N 0 3 316.401 2.953 20 10 DFCDHN CC[C@H](C)N(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230934338 542893466 /nfs/dbraw/zinc/89/34/66/542893466.db2.gz IHOIGBPZHNSJIM-NSHDSACASA-N 0 3 300.830 2.874 20 10 DFCDHN Cc1cc(CN2CCC(C3OCCO3)CC2)ccc1N(C)C ZINC000293003503 543018264 /nfs/dbraw/zinc/01/82/64/543018264.db2.gz GWTGBKDXLIHKGS-UHFFFAOYSA-N 0 3 304.434 2.646 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000364450670 292164444 /nfs/dbraw/zinc/16/44/44/292164444.db2.gz WMDNMZXHDBMFSA-LJQANCHMSA-N 0 3 308.381 2.796 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000364450670 292164446 /nfs/dbraw/zinc/16/44/46/292164446.db2.gz WMDNMZXHDBMFSA-LJQANCHMSA-N 0 3 308.381 2.796 20 10 DFCDHN C[C@@H](N[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000292006632 287057835 /nfs/dbraw/zinc/05/78/35/287057835.db2.gz YEJYLWPYGHSTQP-KBRIMQKVSA-N 0 3 324.490 2.759 20 10 DFCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCN(C)C1 ZINC000066652531 425905657 /nfs/dbraw/zinc/90/56/57/425905657.db2.gz BJWBYCKLOADJJC-CQSZACIVSA-N 0 3 317.458 2.837 20 10 DFCDHN Cn1ncc2c1CCC[C@H]2NCc1ccc2c(c1)CCCN2C ZINC000126680188 426032024 /nfs/dbraw/zinc/03/20/24/426032024.db2.gz RFRDNWCQVIEWFI-QGZVFWFLSA-N 0 3 310.445 2.970 20 10 DFCDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(NC(N)=O)cc1 ZINC000126992419 426045428 /nfs/dbraw/zinc/04/54/28/426045428.db2.gz UZWTXVOTRFOTEC-GFCCVEGCSA-N 0 3 311.385 2.963 20 10 DFCDHN CN(C)c1ccc(CNC[C@H](c2ccco2)N(C)C)cc1F ZINC000113313149 426111796 /nfs/dbraw/zinc/11/17/96/426111796.db2.gz WQJCZLHOZZVDMQ-MRXNPFEDSA-N 0 3 305.397 2.877 20 10 DFCDHN CN(C)c1ccc(CNC[C@@H](O)Cc2ccccc2)cc1F ZINC000113337564 426112796 /nfs/dbraw/zinc/11/27/96/426112796.db2.gz CEFLNUKZWPYUKH-INIZCTEOSA-N 0 3 302.393 2.585 20 10 DFCDHN CN(C)c1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000113343794 426112845 /nfs/dbraw/zinc/11/28/45/426112845.db2.gz RAMVZQWKMYSRKY-OAHLLOKOSA-N 0 3 319.449 2.852 20 10 DFCDHN CC[C@@H]1CCCCN1CCNC(=O)N(C)Cc1ccccc1O ZINC000077644848 426141507 /nfs/dbraw/zinc/14/15/07/426141507.db2.gz KBPZIJKCJGVVBG-MRXNPFEDSA-N 0 3 319.449 2.798 20 10 DFCDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1[O-] ZINC000151352192 426291902 /nfs/dbraw/zinc/29/19/02/426291902.db2.gz LRYPOYMBRZDGCM-YOEHRIQHSA-N 0 3 323.458 2.935 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000151386254 426292809 /nfs/dbraw/zinc/29/28/09/426292809.db2.gz USUPQVYFMPIJPX-RHSMWYFYSA-N 0 3 323.458 2.935 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCC(n2cncn2)CC1 ZINC000152058309 426324456 /nfs/dbraw/zinc/32/44/56/426324456.db2.gz VDBYZLUGXNGOKF-UHFFFAOYSA-N 0 3 308.385 2.974 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000092662323 426351186 /nfs/dbraw/zinc/35/11/86/426351186.db2.gz RAQJSIXWPKDJCG-KRWDZBQOSA-N 0 3 305.418 2.861 20 10 DFCDHN C[C@](CO)([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000152772848 426353175 /nfs/dbraw/zinc/35/31/75/426353175.db2.gz NTLZAVFGCIFUPV-QGZVFWFLSA-N 0 3 307.390 2.542 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@H](CC(N)=O)C2)cc1F ZINC000093808736 426357295 /nfs/dbraw/zinc/35/72/95/426357295.db2.gz IMVPGMYUFGVSJL-CQSZACIVSA-N 0 3 321.440 2.759 20 10 DFCDHN CCOc1cccc(CN2CC[C@H](Oc3cccnc3)C2)c1O ZINC000093691051 426357926 /nfs/dbraw/zinc/35/79/26/426357926.db2.gz FCGJIFBVQHWRJN-INIZCTEOSA-N 0 3 314.385 2.839 20 10 DFCDHN Cc1nsc(N2CCCN(Cc3cc(C)ccc3O)CC2)n1 ZINC000093717103 426358005 /nfs/dbraw/zinc/35/80/05/426358005.db2.gz MVIFRXGNOQBUPZ-UHFFFAOYSA-N 0 3 318.446 2.573 20 10 DFCDHN CCOc1cccc(CN2CC[C@@H](Oc3cccnc3)C2)c1O ZINC000093691055 426358165 /nfs/dbraw/zinc/35/81/65/426358165.db2.gz FCGJIFBVQHWRJN-MRXNPFEDSA-N 0 3 314.385 2.839 20 10 DFCDHN Cc1ccc(O)c([C@H](C)NCC(=O)NCCc2ccccc2)c1 ZINC000186307385 426501989 /nfs/dbraw/zinc/50/19/89/426501989.db2.gz WEZVMDUNJWBZCO-HNNXBMFYSA-N 0 3 312.413 2.710 20 10 DFCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000280400521 426565969 /nfs/dbraw/zinc/56/59/69/426565969.db2.gz XSDPSLZUDRXRGX-LIRRHRJNSA-N 0 3 313.397 2.925 20 10 DFCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000280400521 426565972 /nfs/dbraw/zinc/56/59/72/426565972.db2.gz XSDPSLZUDRXRGX-LIRRHRJNSA-N 0 3 313.397 2.925 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000224803833 426594977 /nfs/dbraw/zinc/59/49/77/426594977.db2.gz VCYNCBNXSUENOV-GFCCVEGCSA-N 0 3 324.421 2.794 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289641156 426671439 /nfs/dbraw/zinc/67/14/39/426671439.db2.gz MKALRMSAFMPJKA-BBRMVZONSA-N 0 3 324.852 2.649 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1[O-] ZINC000289641156 426671444 /nfs/dbraw/zinc/67/14/44/426671444.db2.gz MKALRMSAFMPJKA-BBRMVZONSA-N 0 3 324.852 2.649 20 10 DFCDHN CN(Cc1ccccc1O)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000289946237 426677498 /nfs/dbraw/zinc/67/74/98/426677498.db2.gz UPHAHJKMSSZYMX-QGZVFWFLSA-N 0 3 308.397 2.563 20 10 DFCDHN COc1cc(C[NH2+]Cc2ccccc2[O-])cc(OC)c1OC ZINC000237122457 426689801 /nfs/dbraw/zinc/68/98/01/426689801.db2.gz SGSSVJKXDAVREQ-UHFFFAOYSA-N 0 3 303.358 2.708 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)OCO2 ZINC000281296475 426708422 /nfs/dbraw/zinc/70/84/22/426708422.db2.gz PKXMAHCRDNPFRG-KFWWJZLASA-N 0 3 319.401 2.636 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)OCO2 ZINC000281296475 426708427 /nfs/dbraw/zinc/70/84/27/426708427.db2.gz PKXMAHCRDNPFRG-KFWWJZLASA-N 0 3 319.401 2.636 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000290093065 426692335 /nfs/dbraw/zinc/69/23/35/426692335.db2.gz HCSZYOHBYZKZEH-CQSZACIVSA-N 0 3 303.333 2.633 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[O-] ZINC000245948616 426787078 /nfs/dbraw/zinc/78/70/78/426787078.db2.gz WJKHDVJEUDEWSM-CJNGLKHVSA-N 0 3 324.852 2.507 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1[O-] ZINC000245948616 426787083 /nfs/dbraw/zinc/78/70/83/426787083.db2.gz WJKHDVJEUDEWSM-CJNGLKHVSA-N 0 3 324.852 2.507 20 10 DFCDHN CCN(Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCNC1=O ZINC000281653938 426737292 /nfs/dbraw/zinc/73/72/92/426737292.db2.gz BVKZCHYTKNAPPK-KRWDZBQOSA-N 0 3 310.397 2.770 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@H](OCCO)C2)cc1 ZINC000179580241 426801367 /nfs/dbraw/zinc/80/13/67/426801367.db2.gz IBBYRIKARWPWAQ-SFHVURJKSA-N 0 3 306.450 2.506 20 10 DFCDHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(OC)c1O ZINC000246124977 426801690 /nfs/dbraw/zinc/80/16/90/426801690.db2.gz ACRUJLXHPZRIHU-SNPRPXQTSA-N 0 3 319.401 2.707 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1[O-] ZINC000179590469 426806094 /nfs/dbraw/zinc/80/60/94/426806094.db2.gz OPMUKTIQZMJQDD-UHFFFAOYSA-N 0 3 310.825 2.654 20 10 DFCDHN COc1cc(O)c(CN(C)Cc2ccc(O)cc2)cc1OC ZINC000290627141 426807697 /nfs/dbraw/zinc/80/76/97/426807697.db2.gz XRDOYTHPRMBBIN-UHFFFAOYSA-N 0 3 303.358 2.747 20 10 DFCDHN C[C@H](c1ccccc1)[N@H+](CCOCCO)Cc1ccccc1[O-] ZINC000179643938 426809192 /nfs/dbraw/zinc/80/91/92/426809192.db2.gz XFGAMDVUAYZQGD-MRXNPFEDSA-N 0 3 315.413 2.964 20 10 DFCDHN C[C@H](c1ccccc1)[N@@H+](CCOCCO)Cc1ccccc1[O-] ZINC000179643938 426809199 /nfs/dbraw/zinc/80/91/99/426809199.db2.gz XFGAMDVUAYZQGD-MRXNPFEDSA-N 0 3 315.413 2.964 20 10 DFCDHN Cc1cccc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000179671440 426812317 /nfs/dbraw/zinc/81/23/17/426812317.db2.gz HDAPRXMDACYOST-MRXNPFEDSA-N 0 3 314.385 2.574 20 10 DFCDHN C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000282189932 426848625 /nfs/dbraw/zinc/84/86/25/426848625.db2.gz GDEVILNONORXIV-QKVFXAPYSA-N 0 3 307.459 2.833 20 10 DFCDHN CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1[O-] ZINC000282521481 426918754 /nfs/dbraw/zinc/91/87/54/426918754.db2.gz TZSTUTYMWKMKIW-UHFFFAOYSA-N 0 3 318.377 2.799 20 10 DFCDHN CCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1[O-] ZINC000282521481 426918758 /nfs/dbraw/zinc/91/87/58/426918758.db2.gz TZSTUTYMWKMKIW-UHFFFAOYSA-N 0 3 318.377 2.799 20 10 DFCDHN CCCCN(Cc1ccccc1O)C(=O)NC1CCN(C)CC1 ZINC000282687893 426921447 /nfs/dbraw/zinc/92/14/47/426921447.db2.gz DRTJMZUCCOMZQH-UHFFFAOYSA-N 0 3 319.449 2.798 20 10 DFCDHN Oc1cc2c(cc1CN1CC3(CCC3)[C@H]1[C@@H]1CCCO1)OCO2 ZINC000290947662 426871166 /nfs/dbraw/zinc/87/11/66/426871166.db2.gz QKQNXNLTYWBBNV-WMLDXEAASA-N 0 3 317.385 2.654 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c([O-])c1 ZINC000291369155 426882279 /nfs/dbraw/zinc/88/22/79/426882279.db2.gz ZEKQBICUMVTRAS-HNNXBMFYSA-N 0 3 301.390 2.825 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)c([O-])c1 ZINC000291369155 426882286 /nfs/dbraw/zinc/88/22/86/426882286.db2.gz ZEKQBICUMVTRAS-HNNXBMFYSA-N 0 3 301.390 2.825 20 10 DFCDHN CCCCN(Cc1ccc(OC)nn1)Cc1ccccc1O ZINC000282365982 426892454 /nfs/dbraw/zinc/89/24/54/426892454.db2.gz DQPQVNCGEOXRNA-UHFFFAOYSA-N 0 3 301.390 2.993 20 10 DFCDHN COc1cc(O)c(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1OC ZINC000291503081 426898364 /nfs/dbraw/zinc/89/83/64/426898364.db2.gz HPNUNXKHLNZYDW-PBHICJAKSA-N 0 3 321.417 2.799 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000282386685 426899113 /nfs/dbraw/zinc/89/91/13/426899113.db2.gz XSDPZQSBHHSPKX-UHFFFAOYSA-N 0 3 303.431 2.916 20 10 DFCDHN CCOc1cccc(CN[C@@H]2CCCc3nn(C)cc32)c1O ZINC000283065996 426945800 /nfs/dbraw/zinc/94/58/00/426945800.db2.gz UINSCZIYXNIIKJ-CQSZACIVSA-N 0 3 301.390 2.692 20 10 DFCDHN CCCOc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c([O-])c1 ZINC000317153986 426955297 /nfs/dbraw/zinc/95/52/97/426955297.db2.gz XETXRYFCQLCFBM-MRXNPFEDSA-N 0 3 304.434 2.851 20 10 DFCDHN CCCOc1ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)c([O-])c1 ZINC000317153986 426955305 /nfs/dbraw/zinc/95/53/05/426955305.db2.gz XETXRYFCQLCFBM-MRXNPFEDSA-N 0 3 304.434 2.851 20 10 DFCDHN COc1cccc(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1[O-] ZINC000282971215 426934432 /nfs/dbraw/zinc/93/44/32/426934432.db2.gz LHYWCAPLHVEFPD-INIZCTEOSA-N 0 3 301.386 2.841 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000283005324 426937004 /nfs/dbraw/zinc/93/70/04/426937004.db2.gz GORMPTXTRAUOND-MPGHIAIKSA-N 0 3 319.445 2.919 20 10 DFCDHN CN(C)C(=O)c1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295914966 427016647 /nfs/dbraw/zinc/01/66/47/427016647.db2.gz JLFXVVNXHSWSON-INIZCTEOSA-N 0 3 310.397 2.871 20 10 DFCDHN CN(CCC[NH2+][C@@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000295950015 427022884 /nfs/dbraw/zinc/02/28/84/427022884.db2.gz LINPCAHHZQBDJH-GFCCVEGCSA-N 0 3 302.340 2.853 20 10 DFCDHN O=C(NCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1F ZINC000295982102 427036085 /nfs/dbraw/zinc/03/60/85/427036085.db2.gz NFSSLHLHZINMRR-HNNXBMFYSA-N 0 3 314.360 2.538 20 10 DFCDHN COC[C@@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268841157 427135964 /nfs/dbraw/zinc/13/59/64/427135964.db2.gz IDCONWBBOFARCG-MCIONIFRSA-N 0 3 310.413 2.564 20 10 DFCDHN COc1cccc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000270085911 427319358 /nfs/dbraw/zinc/31/93/58/427319358.db2.gz KCOKOITZOXFANK-VERVWZFWSA-N 0 3 319.426 2.989 20 10 DFCDHN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(C)ccc3[O-])C2)n(C)n1 ZINC000277695598 427288850 /nfs/dbraw/zinc/28/88/50/427288850.db2.gz KYXPOZUQEAKLEU-MRXNPFEDSA-N 0 3 314.433 2.501 20 10 DFCDHN CCOCc1cc(CNC[C@](C)(O)C(F)(F)F)ccc1OC ZINC000270551042 427364899 /nfs/dbraw/zinc/36/48/99/427364899.db2.gz MKZFEPPXCMMRJR-AWEZNQCLSA-N 0 3 321.339 2.635 20 10 DFCDHN CCOc1cccc(CN[C@@H](CC)[C@H](O)C(F)(F)F)c1O ZINC000270863273 427366914 /nfs/dbraw/zinc/36/69/14/427366914.db2.gz DQXFROYIRMIRCF-GWCFXTLKSA-N 0 3 307.312 2.582 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000278795760 427456075 /nfs/dbraw/zinc/45/60/75/427456075.db2.gz YXRAEENEHYOIBB-LSDHHAIUSA-N 0 3 322.449 2.552 20 10 DFCDHN C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@@H](C)O1 ZINC000297869515 427471863 /nfs/dbraw/zinc/47/18/63/427471863.db2.gz UNQYCRSJSOGMKH-BFYDXBDKSA-N 0 3 318.461 2.859 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000293754944 427425590 /nfs/dbraw/zinc/42/55/90/427425590.db2.gz OMFMHFGXPPSYOM-DOTOQJQBSA-N 0 3 319.493 2.543 20 10 DFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000278479993 427443449 /nfs/dbraw/zinc/44/34/49/427443449.db2.gz RUSMRSSZZYUDEI-SFHVURJKSA-N 0 3 315.461 2.728 20 10 DFCDHN Cc1nnc([C@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)[nH]1 ZINC000271332299 427499937 /nfs/dbraw/zinc/49/99/37/427499937.db2.gz NHFORFUWJGMRNP-NSHDSACASA-N 0 3 306.797 2.852 20 10 DFCDHN Cc1nnc([C@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)[nH]1 ZINC000271332299 427499940 /nfs/dbraw/zinc/49/99/40/427499940.db2.gz NHFORFUWJGMRNP-NSHDSACASA-N 0 3 306.797 2.852 20 10 DFCDHN Cc1n[nH]c([C@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000271332299 427499944 /nfs/dbraw/zinc/49/99/44/427499944.db2.gz NHFORFUWJGMRNP-NSHDSACASA-N 0 3 306.797 2.852 20 10 DFCDHN Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000271332299 427499950 /nfs/dbraw/zinc/49/99/50/427499950.db2.gz NHFORFUWJGMRNP-NSHDSACASA-N 0 3 306.797 2.852 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1[O-] ZINC000184701090 427520380 /nfs/dbraw/zinc/52/03/80/427520380.db2.gz RVXPWEQOTGBJHE-CYBMUJFWSA-N 0 3 301.814 2.893 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1[O-] ZINC000184701090 427520385 /nfs/dbraw/zinc/52/03/85/427520385.db2.gz RVXPWEQOTGBJHE-CYBMUJFWSA-N 0 3 301.814 2.893 20 10 DFCDHN CCOC(=O)C[C@](C)([NH2+]Cc1cccc(OC)c1[O-])C(C)C ZINC000185232640 427618233 /nfs/dbraw/zinc/61/82/33/427618233.db2.gz GPXPINIMHDXCDJ-KRWDZBQOSA-N 0 3 309.406 2.858 20 10 DFCDHN C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(F)ccc1[O-] ZINC000185252115 427618950 /nfs/dbraw/zinc/61/89/50/427618950.db2.gz IIDCBELJKNKJDI-ZDUSSCGKSA-N 0 3 308.397 2.975 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000271491434 427560914 /nfs/dbraw/zinc/56/09/14/427560914.db2.gz ZYVAQLURDJLOGY-OAHLLOKOSA-N 0 3 307.390 2.566 20 10 DFCDHN COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184949181 427567514 /nfs/dbraw/zinc/56/75/14/427567514.db2.gz VTAPUYIUVZNXPI-DIFFPNOSSA-N 0 3 305.349 2.924 20 10 DFCDHN C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)c1ccccc1[O-] ZINC000271699027 427580959 /nfs/dbraw/zinc/58/09/59/427580959.db2.gz SZHAUSOSYSEKAL-CYBMUJFWSA-N 0 3 324.380 2.729 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]CCC[C@H](C)CO)c1[O-] ZINC000271802921 427585321 /nfs/dbraw/zinc/58/53/21/427585321.db2.gz JDOBTGVDCUCNSF-JTQLQIEISA-N 0 3 316.239 2.961 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1[O-] ZINC000271873151 427592763 /nfs/dbraw/zinc/59/27/63/427592763.db2.gz YMBCKVQFABSRCZ-WDEREUQCSA-N 0 3 314.223 2.978 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1 ZINC000271867072 427593672 /nfs/dbraw/zinc/59/36/72/427593672.db2.gz WIUPXEZYFRNHQT-KRWDZBQOSA-N 0 3 305.374 2.608 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c1 ZINC000185097744 427595121 /nfs/dbraw/zinc/59/51/21/427595121.db2.gz OOSIRJQFDGPZKR-SJKOYZFVSA-N 0 3 317.385 2.794 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2ccc(OC)c(O)c2)c1 ZINC000185300733 427631199 /nfs/dbraw/zinc/63/11/99/427631199.db2.gz ATZXCBRLHKNCHH-NSHDSACASA-N 0 3 303.358 2.966 20 10 DFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185345526 427640047 /nfs/dbraw/zinc/64/00/47/427640047.db2.gz SRWJFFZJVMCKEX-DLBZAZTESA-N 0 3 319.493 2.625 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@H](c3cccnc3)C2)c1 ZINC000295000113 427668645 /nfs/dbraw/zinc/66/86/45/427668645.db2.gz LFVZQGMFHXOHHN-YJBOKZPZSA-N 0 3 314.385 2.806 20 10 DFCDHN Cc1ccc([C@H](C)NCc2ccc(C)n(C)c2=O)c(O)c1C ZINC000279561816 427704588 /nfs/dbraw/zinc/70/45/88/427704588.db2.gz RYZLHOYVGXRBLE-AWEZNQCLSA-N 0 3 300.402 2.867 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c([O-])c1C ZINC000279561816 427704591 /nfs/dbraw/zinc/70/45/91/427704591.db2.gz RYZLHOYVGXRBLE-AWEZNQCLSA-N 0 3 300.402 2.867 20 10 DFCDHN CC[C@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000279996348 427725923 /nfs/dbraw/zinc/72/59/23/427725923.db2.gz FRMJFCOVCQBCOB-WMZOPIPTSA-N 0 3 319.493 2.767 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC3(CCOC3=O)CC2)c1[O-] ZINC000371427531 428388705 /nfs/dbraw/zinc/38/87/05/428388705.db2.gz WUONQSCEXXARDF-UHFFFAOYSA-N 0 3 309.793 2.883 20 10 DFCDHN Cc1cccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000371522828 428396254 /nfs/dbraw/zinc/39/62/54/428396254.db2.gz BDQMUGTXKHNTNQ-SFHVURJKSA-N 0 3 301.361 2.933 20 10 DFCDHN Cc1cccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000371522828 428396256 /nfs/dbraw/zinc/39/62/56/428396256.db2.gz BDQMUGTXKHNTNQ-SFHVURJKSA-N 0 3 301.361 2.933 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2CCN([C@@H]3CCSC3)CC2)c1 ZINC000372595917 428470288 /nfs/dbraw/zinc/47/02/88/428470288.db2.gz BWNTUYHHDAGPMX-UONOGXRCSA-N 0 3 322.474 2.585 20 10 DFCDHN Cc1cc(O)c(CN2CCCC[C@H]2C(=O)N2CCCC2)cc1C ZINC000372417511 428447796 /nfs/dbraw/zinc/44/77/96/428447796.db2.gz WRUONEXKPDNERL-KRWDZBQOSA-N 0 3 316.445 2.986 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000372598404 428470732 /nfs/dbraw/zinc/47/07/32/428470732.db2.gz GYCGNXJJESCGSJ-UONOGXRCSA-N 0 3 315.417 2.760 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000372598404 428470736 /nfs/dbraw/zinc/47/07/36/428470736.db2.gz GYCGNXJJESCGSJ-UONOGXRCSA-N 0 3 315.417 2.760 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000372636770 428479225 /nfs/dbraw/zinc/47/92/25/428479225.db2.gz GOWPZHFYFOOOME-KRWDZBQOSA-N 0 3 322.836 2.798 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000372636770 428479230 /nfs/dbraw/zinc/47/92/30/428479230.db2.gz GOWPZHFYFOOOME-KRWDZBQOSA-N 0 3 322.836 2.798 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000372721223 428492695 /nfs/dbraw/zinc/49/26/95/428492695.db2.gz VUBVGQFHTLDYNH-CQSZACIVSA-N 0 3 321.417 2.733 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000372721223 428492703 /nfs/dbraw/zinc/49/27/03/428492703.db2.gz VUBVGQFHTLDYNH-CQSZACIVSA-N 0 3 321.417 2.733 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)c1ccccc1[O-] ZINC000374673767 428728304 /nfs/dbraw/zinc/72/83/04/428728304.db2.gz AYJDIHOAJNJKJR-LISAXSMJSA-N 0 3 318.461 2.932 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cc1C ZINC000362613563 428793193 /nfs/dbraw/zinc/79/31/93/428793193.db2.gz CHAZWBRMGPFUHN-IMJJTQAJSA-N 0 3 302.418 2.627 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cc1C ZINC000362613563 428793199 /nfs/dbraw/zinc/79/31/99/428793199.db2.gz CHAZWBRMGPFUHN-IMJJTQAJSA-N 0 3 302.418 2.627 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000363520278 428935052 /nfs/dbraw/zinc/93/50/52/428935052.db2.gz PLJLTPDUUVADON-OAHLLOKOSA-N 0 3 308.385 2.802 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000363520278 428935057 /nfs/dbraw/zinc/93/50/57/428935057.db2.gz PLJLTPDUUVADON-OAHLLOKOSA-N 0 3 308.385 2.802 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000363910107 429139530 /nfs/dbraw/zinc/13/95/30/429139530.db2.gz UGENOJRGMCGPKA-RYUDHWBXSA-N 0 3 311.809 2.913 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000363910107 429139533 /nfs/dbraw/zinc/13/95/33/429139533.db2.gz UGENOJRGMCGPKA-RYUDHWBXSA-N 0 3 311.809 2.913 20 10 DFCDHN Cc1csc(N2CCC[N@H+](Cc3ccccc3[O-])CC2)n1 ZINC000364301143 429178391 /nfs/dbraw/zinc/17/83/91/429178391.db2.gz KMPFFXUKBURTPE-UHFFFAOYSA-N 0 3 303.431 2.869 20 10 DFCDHN Cc1csc(N2CCC[N@@H+](Cc3ccccc3[O-])CC2)n1 ZINC000364301143 429178394 /nfs/dbraw/zinc/17/83/94/429178394.db2.gz KMPFFXUKBURTPE-UHFFFAOYSA-N 0 3 303.431 2.869 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(C)cc1[O-] ZINC000366455863 429457042 /nfs/dbraw/zinc/45/70/42/429457042.db2.gz UYUPTGBMJVQEKJ-DZGCQCFKSA-N 0 3 300.406 2.656 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1[O-] ZINC000367039829 429564080 /nfs/dbraw/zinc/56/40/80/429564080.db2.gz AUIJWWMBFHMBKP-DOTOQJQBSA-N 0 3 324.424 2.886 20 10 DFCDHN COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cc(OC)ccc2[O-])CC12CCC2 ZINC000367371708 429633659 /nfs/dbraw/zinc/63/36/59/429633659.db2.gz QUGXZSJQQBUTMZ-DOMZBBRYSA-N 0 3 319.401 2.737 20 10 DFCDHN COC(=O)[C@@H]1C[N@H+]([C@H](C)c2cc(OC)ccc2[O-])CC12CCC2 ZINC000367371708 429633664 /nfs/dbraw/zinc/63/36/64/429633664.db2.gz QUGXZSJQQBUTMZ-DOMZBBRYSA-N 0 3 319.401 2.737 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C[C@@H]3CCOC3)C1)OCO2 ZINC000367395734 429639801 /nfs/dbraw/zinc/63/98/01/429639801.db2.gz DACSADOAVPXLCV-KGLIPLIRSA-N 0 3 319.401 2.760 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C[C@@H]3CCOC3)C1)OCO2 ZINC000367395734 429639803 /nfs/dbraw/zinc/63/98/03/429639803.db2.gz DACSADOAVPXLCV-KGLIPLIRSA-N 0 3 319.401 2.760 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](C[C@H]3CCOC3)C1)OCO2 ZINC000367395735 429640193 /nfs/dbraw/zinc/64/01/93/429640193.db2.gz DACSADOAVPXLCV-UONOGXRCSA-N 0 3 319.401 2.760 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](C[C@H]3CCOC3)C1)OCO2 ZINC000367395735 429640196 /nfs/dbraw/zinc/64/01/96/429640196.db2.gz DACSADOAVPXLCV-UONOGXRCSA-N 0 3 319.401 2.760 20 10 DFCDHN O=C(NCc1ccccc1O)[C@H]1CCCCN1C1CCCC1 ZINC000367395329 429640532 /nfs/dbraw/zinc/64/05/32/429640532.db2.gz WMJBRSRLWOKDKU-MRXNPFEDSA-N 0 3 302.418 2.806 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c([O-])c1 ZINC000091856474 276267585 /nfs/dbraw/zinc/26/75/85/276267585.db2.gz SHPRJXDXHHDWQA-RDJZCZTQSA-N 0 3 323.458 2.887 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c([O-])c1 ZINC000091856474 276267587 /nfs/dbraw/zinc/26/75/87/276267587.db2.gz SHPRJXDXHHDWQA-RDJZCZTQSA-N 0 3 323.458 2.887 20 10 DFCDHN Cn1ccc(N2CC[C@@H]([NH2+]Cc3c([O-])ccc4ccccc43)C2)n1 ZINC000367698974 429703427 /nfs/dbraw/zinc/70/34/27/429703427.db2.gz OUDCHZMHYMSMCV-OAHLLOKOSA-N 0 3 322.412 2.647 20 10 DFCDHN Cc1noc(C2(C)CCN(Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000367771057 429713855 /nfs/dbraw/zinc/71/38/55/429713855.db2.gz UCSDGPGSVQGXQO-UHFFFAOYSA-N 0 3 314.433 2.998 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000368024776 429770116 /nfs/dbraw/zinc/77/01/16/429770116.db2.gz UUYUGMSWJJWERW-MIGQKNRLSA-N 0 3 302.418 2.962 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000368024776 429770120 /nfs/dbraw/zinc/77/01/20/429770120.db2.gz UUYUGMSWJJWERW-MIGQKNRLSA-N 0 3 302.418 2.962 20 10 DFCDHN COc1cccc([C@@H](C[NH2+]Cc2cccc(OC)c2[O-])OC)c1 ZINC000527737398 429789635 /nfs/dbraw/zinc/78/96/35/429789635.db2.gz NHWJMRWPOLZXSO-QGZVFWFLSA-N 0 3 317.385 2.887 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)CC2 ZINC000527934549 429822665 /nfs/dbraw/zinc/82/26/65/429822665.db2.gz ROWZYZAORSPAPR-DGCLKSJQSA-N 0 3 311.307 2.969 20 10 DFCDHN Cc1ncccc1O[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000368977103 429905225 /nfs/dbraw/zinc/90/52/25/429905225.db2.gz BZDVASWIVVIKJW-HNNXBMFYSA-N 0 3 302.349 2.888 20 10 DFCDHN Cc1ncccc1O[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000368977103 429905227 /nfs/dbraw/zinc/90/52/27/429905227.db2.gz BZDVASWIVVIKJW-HNNXBMFYSA-N 0 3 302.349 2.888 20 10 DFCDHN C[C@@H]1CN(C(=O)c2cccc3c2CCNC3)c2ccccc2O1 ZINC000662594354 431128663 /nfs/dbraw/zinc/12/86/63/431128663.db2.gz QBRSQDIOUKARPV-CYBMUJFWSA-N 0 3 308.381 2.760 20 10 DFCDHN CCN(CC)c1ccc(CN[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000281218287 279170151 /nfs/dbraw/zinc/17/01/51/279170151.db2.gz CWJGATQOBPUIOX-HNNXBMFYSA-N 0 3 303.450 2.633 20 10 DFCDHN Cc1cc(N2CCC([NH2+][C@H]3CCc4cccc([O-])c43)CC2)n[nH]1 ZINC000296418233 280546132 /nfs/dbraw/zinc/54/61/32/280546132.db2.gz LGPLUDBKABAUHZ-HNNXBMFYSA-N 0 3 312.417 2.670 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000227690137 295168615 /nfs/dbraw/zinc/16/86/15/295168615.db2.gz PTFMPRIWDCMYCJ-NEPJUHHUSA-N 0 3 324.421 2.965 20 10 DFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)CO)c1[O-] ZINC000187052210 301070595 /nfs/dbraw/zinc/07/05/95/301070595.db2.gz RZJCXJSGTLKVQT-PSASIEDQSA-N 0 3 302.212 2.742 20 10 DFCDHN COC[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293563375 335109217 /nfs/dbraw/zinc/10/92/17/335109217.db2.gz CYLQNARAWVORLC-WMZOPIPTSA-N 0 3 315.413 2.663 20 10 DFCDHN COc1cccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1[O-] ZINC000185637168 333211040 /nfs/dbraw/zinc/21/10/40/333211040.db2.gz PJSYVOPCIIQQJP-UHFFFAOYSA-N 0 3 313.397 2.884 20 10 DFCDHN COc1cccc(CN2CCC(O)(c3ccccc3)CC2)c1O ZINC000185637168 333211041 /nfs/dbraw/zinc/21/10/41/333211041.db2.gz PJSYVOPCIIQQJP-UHFFFAOYSA-N 0 3 313.397 2.884 20 10 DFCDHN C[C@@H](O)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000187823373 333238442 /nfs/dbraw/zinc/23/84/42/333238442.db2.gz FUVYXAAKTDMFNA-CQSZACIVSA-N 0 3 301.386 2.784 20 10 DFCDHN C[C@@H](O)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000187823373 333238443 /nfs/dbraw/zinc/23/84/43/333238443.db2.gz FUVYXAAKTDMFNA-CQSZACIVSA-N 0 3 301.386 2.784 20 10 DFCDHN Cc1cc(Br)cc(CN2CCC[C@@H](O)[C@@H]2C)c1O ZINC000294958451 335129205 /nfs/dbraw/zinc/12/92/05/335129205.db2.gz IDTDWRIGAIYTPT-GXFFZTMASA-N 0 3 314.223 2.808 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294904324 335130452 /nfs/dbraw/zinc/13/04/52/335130452.db2.gz XNZGVIXGYJKRRN-CYBMUJFWSA-N 0 3 320.433 2.514 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294904324 335130453 /nfs/dbraw/zinc/13/04/53/335130453.db2.gz XNZGVIXGYJKRRN-CYBMUJFWSA-N 0 3 320.433 2.514 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1C ZINC000295120810 335132342 /nfs/dbraw/zinc/13/23/42/335132342.db2.gz NGOMZOGYSWCNEJ-QGZVFWFLSA-N 0 3 303.377 2.841 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@H]2CCc3nccn3C2)c1 ZINC000364673761 333326070 /nfs/dbraw/zinc/32/60/70/333326070.db2.gz PWOCHGTZUARQGL-CQSZACIVSA-N 0 3 315.417 2.682 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCc3nccn3C2)c1 ZINC000364673761 333326071 /nfs/dbraw/zinc/32/60/71/333326071.db2.gz PWOCHGTZUARQGL-CQSZACIVSA-N 0 3 315.417 2.682 20 10 DFCDHN COC1CCN(c2ccc(CN3CCC(CO)CC3)cc2)CC1 ZINC000295501367 335135533 /nfs/dbraw/zinc/13/55/33/335135533.db2.gz KTVVANNFYZNRBK-UHFFFAOYSA-N 0 3 318.461 2.506 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000192712954 336259012 /nfs/dbraw/zinc/25/90/12/336259012.db2.gz RFLMBGLHNAEGHW-AWEZNQCLSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c([O-])c1 ZINC000192839357 336265556 /nfs/dbraw/zinc/26/55/56/336265556.db2.gz ZVTCDMXDALZMIS-CQSZACIVSA-N 0 3 304.434 2.998 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1CCC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000167909006 336278866 /nfs/dbraw/zinc/27/88/66/336278866.db2.gz LPGXAPACLKEDSP-HZPDHXFCSA-N 0 3 324.852 2.779 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c([O-])c1C ZINC000369901163 336873984 /nfs/dbraw/zinc/87/39/84/336873984.db2.gz FJASDIQPMCSMLK-MPGHIAIKSA-N 0 3 305.418 2.998 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(N2CCCC2=O)CC1 ZINC000369921151 336874349 /nfs/dbraw/zinc/87/43/49/336874349.db2.gz UUNLKFLOUWRIRO-INIZCTEOSA-N 0 3 302.418 2.930 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1OC ZINC000373370822 336958368 /nfs/dbraw/zinc/95/83/68/336958368.db2.gz SCLGBYXQFGJNKJ-ROUUACIJSA-N 0 3 321.417 2.704 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCc2nnc(C)n2C1)c1ccc(C)cc1[O-] ZINC000373853003 336974564 /nfs/dbraw/zinc/97/45/64/336974564.db2.gz WPFINXCKAFCLDO-ZFWWWQNUSA-N 0 3 300.406 2.656 20 10 DFCDHN CN1CCc2cc(CNCc3c[nH]nc3-c3cccnc3)ccc21 ZINC000375320277 337008070 /nfs/dbraw/zinc/00/80/70/337008070.db2.gz QBDAZYJBRIRWKX-UHFFFAOYSA-N 0 3 319.412 2.754 20 10 DFCDHN CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000375845839 337021165 /nfs/dbraw/zinc/02/11/65/337021165.db2.gz HIJIYULMBHNONJ-KGLIPLIRSA-N 0 3 314.433 2.829 20 10 DFCDHN CCc1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000375845842 337021182 /nfs/dbraw/zinc/02/11/82/337021182.db2.gz HIJIYULMBHNONJ-ZIAGYGMSSA-N 0 3 314.433 2.829 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000375971999 337024461 /nfs/dbraw/zinc/02/44/61/337024461.db2.gz CTIWZLPRUTUMJV-GOEBONIOSA-N 0 3 300.406 2.847 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000375971999 337024462 /nfs/dbraw/zinc/02/44/62/337024462.db2.gz CTIWZLPRUTUMJV-GOEBONIOSA-N 0 3 300.406 2.847 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)c1cc(F)ccc1[O-] ZINC000376308465 337030990 /nfs/dbraw/zinc/03/09/90/337030990.db2.gz SKUZKFBQGMDJBI-OCCSQVGLSA-N 0 3 316.380 2.641 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCN(c2ccncn2)C1)c1cc(F)ccc1[O-] ZINC000376308463 337031044 /nfs/dbraw/zinc/03/10/44/337031044.db2.gz SKUZKFBQGMDJBI-GXTWGEPZSA-N 0 3 316.380 2.641 20 10 DFCDHN CCc1nnc2n1C[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])CC2 ZINC000376317628 337031291 /nfs/dbraw/zinc/03/12/91/337031291.db2.gz ACQOHLIAXHIYFG-JSGCOSHPSA-N 0 3 300.406 2.602 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000376503804 337035273 /nfs/dbraw/zinc/03/52/73/337035273.db2.gz DAJAXONNSUIZQO-CYBMUJFWSA-N 0 3 309.381 2.549 20 10 DFCDHN Cc1cccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1[O-] ZINC000377258764 337049726 /nfs/dbraw/zinc/04/97/26/337049726.db2.gz TWUBXOIBVMYIES-WMZOPIPTSA-N 0 3 311.429 2.878 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]1CN1CCC[C@H]1CO ZINC000377616796 337056385 /nfs/dbraw/zinc/05/63/85/337056385.db2.gz QVBBOFGXSZBTLX-XYJFISCASA-N 0 3 318.461 2.764 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H]1CN1CCC[C@H]1CO ZINC000377616796 337056386 /nfs/dbraw/zinc/05/63/86/337056386.db2.gz QVBBOFGXSZBTLX-XYJFISCASA-N 0 3 318.461 2.764 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H](C(=O)OC)[C@@H](C2CC2)C1 ZINC000377693205 337058735 /nfs/dbraw/zinc/05/87/35/337058735.db2.gz JULDIZUTEFUUID-OWCLPIDISA-N 0 3 303.402 2.974 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H](C(=O)OC)[C@@H](C2CC2)C1 ZINC000377693205 337058736 /nfs/dbraw/zinc/05/87/36/337058736.db2.gz JULDIZUTEFUUID-OWCLPIDISA-N 0 3 303.402 2.974 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000377852434 337062595 /nfs/dbraw/zinc/06/25/95/337062595.db2.gz QGHRTHZQMNNLDC-GDBMZVCRSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000377852434 337062596 /nfs/dbraw/zinc/06/25/96/337062596.db2.gz QGHRTHZQMNNLDC-GDBMZVCRSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1ccccc1[O-] ZINC000194260272 337089173 /nfs/dbraw/zinc/08/91/73/337089173.db2.gz STYZXLPFWSTTCQ-QZTJIDSGSA-N 0 3 319.493 2.705 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2ccc(-n3ccnc3)nc2)c1 ZINC000182404549 337188315 /nfs/dbraw/zinc/18/83/15/337188315.db2.gz XWSOTDWXZMBIQI-ZDUSSCGKSA-N 0 3 324.384 2.832 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000184806263 337200337 /nfs/dbraw/zinc/20/03/37/337200337.db2.gz QWTSQQRMWRXYMN-UHFFFAOYSA-N 0 3 313.401 2.508 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000184806263 337200338 /nfs/dbraw/zinc/20/03/38/337200338.db2.gz QWTSQQRMWRXYMN-UHFFFAOYSA-N 0 3 313.401 2.508 20 10 DFCDHN COc1ccc(O)c(CN2CCCN(c3ccccn3)CC2)c1 ZINC000184806263 337200339 /nfs/dbraw/zinc/20/03/39/337200339.db2.gz QWTSQQRMWRXYMN-UHFFFAOYSA-N 0 3 313.401 2.508 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)c([O-])c1 ZINC000186051252 337253128 /nfs/dbraw/zinc/25/31/28/337253128.db2.gz YCQJIISQFAGSQS-HUUCEWRRSA-N 0 3 312.417 2.810 20 10 DFCDHN COc1cccc(C[NH+]2CCC(Cc3nccn3C)CC2)c1[O-] ZINC000121790787 337396508 /nfs/dbraw/zinc/39/65/08/337396508.db2.gz XWVCOTMXPYLNOL-UHFFFAOYSA-N 0 3 315.417 2.589 20 10 DFCDHN CC(C(=O)N1CCOc2cc(N(C)C)ccc21)C(F)(F)F ZINC000437009397 338297651 /nfs/dbraw/zinc/29/76/51/338297651.db2.gz HRRQFLMPNJVZDL-SECBINFHSA-N 0 3 302.296 2.676 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(C)(N3CCOCC3)CC2)cc1C ZINC000529664593 340767082 /nfs/dbraw/zinc/76/70/82/340767082.db2.gz RZOMZWSBXWOJCG-UHFFFAOYSA-N 0 3 318.461 2.696 20 10 DFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000134228908 341210108 /nfs/dbraw/zinc/21/01/08/341210108.db2.gz QKVXLYFDTFBLMT-LBPRGKRZSA-N 0 3 305.399 2.647 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[O-] ZINC000248888053 341389504 /nfs/dbraw/zinc/38/95/04/341389504.db2.gz RIARCGSRYMQMQH-SWLSCSKDSA-N 0 3 324.852 2.970 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1[O-] ZINC000248888053 341389505 /nfs/dbraw/zinc/38/95/05/341389505.db2.gz RIARCGSRYMQMQH-SWLSCSKDSA-N 0 3 324.852 2.970 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000237048529 521149864 /nfs/dbraw/zinc/14/98/64/521149864.db2.gz VNQOORDEMATBML-KRWDZBQOSA-N 0 3 305.349 2.753 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](O)c2ccc(C)cc2)c1 ZINC000237048465 521152265 /nfs/dbraw/zinc/15/22/65/521152265.db2.gz CWHROVZTVNGLGM-SFHVURJKSA-N 0 3 301.386 2.923 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c1[O-] ZINC000236935757 521365384 /nfs/dbraw/zinc/36/53/84/521365384.db2.gz YWWKLCBULFFPLY-CYBMUJFWSA-N 0 3 303.406 2.722 20 10 DFCDHN COC[C@@H](CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265735443 522297794 /nfs/dbraw/zinc/29/77/94/522297794.db2.gz CKJWBVARVRYSDK-QGZVFWFLSA-N 0 3 301.386 2.546 20 10 DFCDHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](CC)c1ccccc1[O-])CC2 ZINC000156506263 522526096 /nfs/dbraw/zinc/52/60/96/522526096.db2.gz OBVQFVJMIDMLCL-JSGCOSHPSA-N 0 3 300.406 2.602 20 10 DFCDHN CCc1nn(C)c(OC)c1CN[C@@H](CC)c1ccccc1O ZINC000156437498 522672021 /nfs/dbraw/zinc/67/20/21/522672021.db2.gz ZRVWLWCUMUDWHV-AWEZNQCLSA-N 0 3 303.406 2.938 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(C)cc1[O-] ZINC000366419197 522708600 /nfs/dbraw/zinc/70/86/00/522708600.db2.gz RJGSFJBQJZLYAK-XRGAULLZSA-N 0 3 302.418 2.751 20 10 DFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(Cl)cc1 ZINC000264755078 523384623 /nfs/dbraw/zinc/38/46/23/523384623.db2.gz XLLVIFNGWILGKK-HNNXBMFYSA-N 0 3 321.804 2.917 20 10 DFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccc(Cl)cc1 ZINC000264755078 523384634 /nfs/dbraw/zinc/38/46/34/523384634.db2.gz XLLVIFNGWILGKK-HNNXBMFYSA-N 0 3 321.804 2.917 20 10 DFCDHN CO[C@@H](C)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000191636210 523444838 /nfs/dbraw/zinc/44/48/38/523444838.db2.gz WPTUJFNZHBNBFX-IHRRRGAJSA-N 0 3 310.413 2.736 20 10 DFCDHN COc1ccc(N2CCC(N[C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000157405454 524402836 /nfs/dbraw/zinc/40/28/36/524402836.db2.gz DLJDFYVYHWBMQK-CQSZACIVSA-N 0 3 314.433 2.748 20 10 DFCDHN C[C@@H](CC(N)=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000267292324 524417444 /nfs/dbraw/zinc/41/74/44/524417444.db2.gz YDLLGYQOLLOJHK-AWEZNQCLSA-N 0 3 303.450 2.809 20 10 DFCDHN C[C@@H](C[N@H+](C)Cc1cc2c(cc1[O-])OCO2)c1nccs1 ZINC000182838968 524573974 /nfs/dbraw/zinc/57/39/74/524573974.db2.gz CAMMUELPYVHDOH-JTQLQIEISA-N 0 3 306.387 2.813 20 10 DFCDHN C[C@@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OCO2)c1nccs1 ZINC000182838968 524573980 /nfs/dbraw/zinc/57/39/80/524573980.db2.gz CAMMUELPYVHDOH-JTQLQIEISA-N 0 3 306.387 2.813 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c1 ZINC000181015095 524753463 /nfs/dbraw/zinc/75/34/63/524753463.db2.gz GEEKRFIQFOVMSU-MRXNPFEDSA-N 0 3 321.417 2.956 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000182387817 524763451 /nfs/dbraw/zinc/76/34/51/524763451.db2.gz YGYYKKAZRLTJMF-DIFFPNOSSA-N 0 3 305.349 2.924 20 10 DFCDHN C[C@@H](N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000267771181 524982255 /nfs/dbraw/zinc/98/22/55/524982255.db2.gz LCSFPTSZDLAFNM-OAHLLOKOSA-N 0 3 317.477 2.831 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(Cn3ccnn3)CC2)cc1C ZINC000157047155 525314267 /nfs/dbraw/zinc/31/42/67/525314267.db2.gz WRHARGOZQZCOSC-UHFFFAOYSA-N 0 3 300.406 2.513 20 10 DFCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1C ZINC000369082051 525317999 /nfs/dbraw/zinc/31/79/99/525317999.db2.gz DDXVTVAWGNKPLQ-YJBOKZPZSA-N 0 3 305.418 2.779 20 10 DFCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1C ZINC000369377397 525318379 /nfs/dbraw/zinc/31/83/79/525318379.db2.gz ALESPYWWIDANAK-RLFYNMQTSA-N 0 3 305.418 2.777 20 10 DFCDHN C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1[O-] ZINC000179902121 525409300 /nfs/dbraw/zinc/40/93/00/525409300.db2.gz IISWXKXFDWGCBA-JSGCOSHPSA-N 0 3 305.349 2.622 20 10 DFCDHN C[C@@H](NCCNC(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162514818 525450215 /nfs/dbraw/zinc/45/02/15/525450215.db2.gz MXNSSQYBYZJVHK-OAHLLOKOSA-N 0 3 311.429 2.833 20 10 DFCDHN COc1cccc(CNCc2ccc(N3CCCC3)nc2)c1O ZINC000237395058 526023360 /nfs/dbraw/zinc/02/33/60/526023360.db2.gz OEFXKRQOBKRWDV-UHFFFAOYSA-N 0 3 313.401 2.686 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1)OCO2 ZINC000238060158 526335920 /nfs/dbraw/zinc/33/59/20/526335920.db2.gz ASGWGOHNGBDFEP-AWEZNQCLSA-N 0 3 321.760 2.598 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CCOCC(F)F)C[C@@H]1CCCO1 ZINC000189661835 526372713 /nfs/dbraw/zinc/37/27/13/526372713.db2.gz SVBRMJPSZDLBRI-AWEZNQCLSA-N 0 3 315.360 2.655 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CCOCC(F)F)C[C@@H]1CCCO1 ZINC000189661835 526372719 /nfs/dbraw/zinc/37/27/19/526372719.db2.gz SVBRMJPSZDLBRI-AWEZNQCLSA-N 0 3 315.360 2.655 20 10 DFCDHN COC(=O)CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000273726132 536451563 /nfs/dbraw/zinc/45/15/63/536451563.db2.gz JIKIGSLKOCPGMT-UHFFFAOYSA-N 0 3 315.797 2.828 20 10 DFCDHN COC(=O)CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000273726132 536451566 /nfs/dbraw/zinc/45/15/66/536451566.db2.gz JIKIGSLKOCPGMT-UHFFFAOYSA-N 0 3 315.797 2.828 20 10 DFCDHN CCN(CC)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000299211508 535487769 /nfs/dbraw/zinc/48/77/69/535487769.db2.gz FZGHMDOUAZTFNS-UHFFFAOYSA-N 0 3 317.477 2.977 20 10 DFCDHN CCN(CC)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298442566 535487872 /nfs/dbraw/zinc/48/78/72/535487872.db2.gz DCGVVJDUVBHVLB-UHFFFAOYSA-N 0 3 303.450 2.585 20 10 DFCDHN CCN(C)c1ccc([C@H](C)NC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000286875346 535765213 /nfs/dbraw/zinc/76/52/13/535765213.db2.gz CAVNQLHMMKCFRF-LSDHHAIUSA-N 0 3 324.490 2.618 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286263376 536147188 /nfs/dbraw/zinc/14/71/88/536147188.db2.gz BBCHTKANBMTUJH-HIFRSBDPSA-N 0 3 316.367 2.745 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000287887261 536147299 /nfs/dbraw/zinc/14/72/99/536147299.db2.gz TXNRDRSMBPLKBJ-IBGZPJMESA-N 0 3 311.429 2.939 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1OC ZINC000273208442 536856469 /nfs/dbraw/zinc/85/64/69/536856469.db2.gz SLWIGGRYBSNDOB-STQMWFEESA-N 0 3 309.406 2.704 20 10 DFCDHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092707849 185335554 /nfs/dbraw/zinc/33/55/54/185335554.db2.gz QZMQMBJRZVZPMC-CQSZACIVSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000092707849 185335555 /nfs/dbraw/zinc/33/55/55/185335555.db2.gz QZMQMBJRZVZPMC-CQSZACIVSA-N 0 3 320.433 2.529 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000092706479 185335015 /nfs/dbraw/zinc/33/50/15/185335015.db2.gz CXXNVYADGXLPLD-OAHLLOKOSA-N 0 3 304.434 2.685 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000092706479 185335016 /nfs/dbraw/zinc/33/50/16/185335016.db2.gz CXXNVYADGXLPLD-OAHLLOKOSA-N 0 3 304.434 2.685 20 10 DFCDHN CC(C)N(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299560925 534992777 /nfs/dbraw/zinc/99/27/77/534992777.db2.gz YARCISDSFUOTLC-UHFFFAOYSA-N 0 3 305.466 2.830 20 10 DFCDHN COc1cccc(CN2CCC[C@H]2c2cnn(C)c2C)c1O ZINC000091967586 398550980 /nfs/dbraw/zinc/55/09/80/398550980.db2.gz PTXUZSMTTIHHGO-HNNXBMFYSA-N 0 3 301.390 2.780 20 10 DFCDHN COc1cccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000093387929 398635344 /nfs/dbraw/zinc/63/53/44/398635344.db2.gz VTBLODPGSJQEQA-QGZVFWFLSA-N 0 3 313.397 2.883 20 10 DFCDHN COc1cccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c1[O-] ZINC000093387929 398635347 /nfs/dbraw/zinc/63/53/47/398635347.db2.gz VTBLODPGSJQEQA-QGZVFWFLSA-N 0 3 313.397 2.883 20 10 DFCDHN C[C@H](NCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273437627 299291866 /nfs/dbraw/zinc/29/18/66/299291866.db2.gz XOHALLPLTWGJKA-ZDUSSCGKSA-N 0 3 307.394 2.827 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](OCCOCC)C2)c([O-])c1 ZINC000092067522 193152665 /nfs/dbraw/zinc/15/26/65/193152665.db2.gz KMUNVFBDPWQSSG-KRWDZBQOSA-N 0 3 323.433 2.808 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@H](OCCOCC)C2)c([O-])c1 ZINC000092067522 193152668 /nfs/dbraw/zinc/15/26/68/193152668.db2.gz KMUNVFBDPWQSSG-KRWDZBQOSA-N 0 3 323.433 2.808 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@@H](C(=O)NC)C2)cc1F ZINC000093360757 193238914 /nfs/dbraw/zinc/23/89/14/193238914.db2.gz IVVKSHFMVQEXTL-OAHLLOKOSA-N 0 3 321.440 2.630 20 10 DFCDHN COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000272429640 130029508 /nfs/dbraw/zinc/02/95/08/130029508.db2.gz QEUZUPRSCNJNTF-RHSMWYFYSA-N 0 3 307.390 2.612 20 10 DFCDHN COC[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])OC ZINC000272635464 130048246 /nfs/dbraw/zinc/04/82/46/130048246.db2.gz BSEIGHLOGZCRSI-KRWDZBQOSA-N 0 3 301.386 2.810 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000273391981 130116173 /nfs/dbraw/zinc/11/61/73/130116173.db2.gz LAJQLBRXPJCBLC-ZIAGYGMSSA-N 0 3 320.433 2.561 20 10 DFCDHN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000273483370 130126407 /nfs/dbraw/zinc/12/64/07/130126407.db2.gz MSLBLAKTXYTKLD-WBHUJUFNSA-N 0 3 319.376 2.667 20 10 DFCDHN CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000274105334 130206976 /nfs/dbraw/zinc/20/69/76/130206976.db2.gz PTZOLELWFZBALO-UHFFFAOYSA-N 0 3 308.422 2.600 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)c1 ZINC000275359303 130308103 /nfs/dbraw/zinc/30/81/03/130308103.db2.gz AWTAYRBAYFIZLR-FUHWJXTLSA-N 0 3 314.385 2.806 20 10 DFCDHN COc1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)c1[O-] ZINC000275616084 130351126 /nfs/dbraw/zinc/35/11/26/130351126.db2.gz RHZYHVINCZBIHV-MAUKXSAKSA-N 0 3 314.385 2.806 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000277284751 130597791 /nfs/dbraw/zinc/59/77/91/130597791.db2.gz AFVUGQKFBKWRIU-GXFFZTMASA-N 0 3 314.223 2.978 20 10 DFCDHN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000283840987 131028502 /nfs/dbraw/zinc/02/85/02/131028502.db2.gz BQPVMJDLIAZDGC-INIZCTEOSA-N 0 3 304.434 2.890 20 10 DFCDHN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000283840987 131028503 /nfs/dbraw/zinc/02/85/03/131028503.db2.gz BQPVMJDLIAZDGC-INIZCTEOSA-N 0 3 304.434 2.890 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1[O-] ZINC000284954591 131125460 /nfs/dbraw/zinc/12/54/60/131125460.db2.gz HRROIEXVLLXDNF-KGLIPLIRSA-N 0 3 315.841 2.602 20 10 DFCDHN COc1ccc(O)c(CNCc2ccnc(OC(F)F)c2)c1 ZINC000284964391 131126849 /nfs/dbraw/zinc/12/68/49/131126849.db2.gz IBIRHBHKLDGBHW-UHFFFAOYSA-N 0 3 310.300 2.687 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c([O-])c1 ZINC000285213870 131147690 /nfs/dbraw/zinc/14/76/90/131147690.db2.gz OPRMNEFPCKBTKD-CYBMUJFWSA-N 0 3 302.374 2.683 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000289527890 131393242 /nfs/dbraw/zinc/39/32/42/131393242.db2.gz VWCIKOOXTJLDRY-LJQANCHMSA-N 0 3 313.397 2.832 20 10 DFCDHN CCNC(=O)OC[C@H]1CCCCN1Cc1cc(OC)ccc1O ZINC000289564013 131396179 /nfs/dbraw/zinc/39/61/79/131396179.db2.gz RZSQJRUHSRUZDZ-CQSZACIVSA-N 0 3 322.405 2.501 20 10 DFCDHN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(C)ccc2O)C1 ZINC000289750098 131413186 /nfs/dbraw/zinc/41/31/86/131413186.db2.gz QONJLAGABNPQNK-CQSZACIVSA-N 0 3 317.307 2.628 20 10 DFCDHN C[C@H]([NH2+]CCc1cnc2c(Cl)cnn2c1)c1ccccc1[O-] ZINC000297370710 132012604 /nfs/dbraw/zinc/01/26/04/132012604.db2.gz QLGFCJMRTPKSAE-NSHDSACASA-N 0 3 316.792 2.982 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c([O-])c1C ZINC000297381486 227092680 /nfs/dbraw/zinc/09/26/80/227092680.db2.gz RCKYRDFVGRNRJR-JKSUJKDBSA-N 0 3 306.450 2.506 20 10 DFCDHN C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000007114520 425637066 /nfs/dbraw/zinc/63/70/66/425637066.db2.gz WLWQSLYYGDEGMY-HNNXBMFYSA-N 0 3 311.429 2.720 20 10 DFCDHN CCCN(CC(=O)N1CCC[C@@H](C)C1)Cc1ccccc1O ZINC000076074005 426097711 /nfs/dbraw/zinc/09/77/11/426097711.db2.gz YWRJCQXREXAJFO-OAHLLOKOSA-N 0 3 304.434 2.863 20 10 DFCDHN CN(C)c1ccc(CNC[C@@](C)(O)c2ccccc2)cc1F ZINC000114508369 426138441 /nfs/dbraw/zinc/13/84/41/426138441.db2.gz MYCHEDKDJNQLBI-GOSISDBHSA-N 0 3 302.393 2.889 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@](C)(O)c2ccsc2)c1[O-] ZINC000077461032 426134029 /nfs/dbraw/zinc/13/40/29/426134029.db2.gz BNDPWJKBIJEPBR-INIZCTEOSA-N 0 3 307.415 2.850 20 10 DFCDHN Cc1csc(N2CCN(Cc3cc(C)ccc3O)CC2)n1 ZINC000133875881 426183519 /nfs/dbraw/zinc/18/35/19/426183519.db2.gz DWGWPFPOEAVIFC-UHFFFAOYSA-N 0 3 303.431 2.788 20 10 DFCDHN CN(C)c1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)cc1 ZINC000121117697 426321769 /nfs/dbraw/zinc/32/17/69/426321769.db2.gz KIMFJJSJSOEQOI-UHFFFAOYSA-N 0 3 305.466 2.783 20 10 DFCDHN C[C@@H]1CN(C2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)CCO1 ZINC000092079311 426347257 /nfs/dbraw/zinc/34/72/57/426347257.db2.gz MCAWIUVGGOVVEE-CYBMUJFWSA-N 0 3 324.852 2.731 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Nc3ccccc3)C1)OCO2 ZINC000092758275 426351024 /nfs/dbraw/zinc/35/10/24/426351024.db2.gz OGHNBQACSFAGFA-HNNXBMFYSA-N 0 3 312.369 2.807 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Nc3ccccc3)C1)OCO2 ZINC000092758275 426351027 /nfs/dbraw/zinc/35/10/27/426351027.db2.gz OGHNBQACSFAGFA-HNNXBMFYSA-N 0 3 312.369 2.807 20 10 DFCDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(C)c(C)cc1[O-])CC2 ZINC000093613590 426358143 /nfs/dbraw/zinc/35/81/43/426358143.db2.gz IHCXDCVTWDUKNK-ROUUACIJSA-N 0 3 319.445 2.761 20 10 DFCDHN Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000176986093 426431141 /nfs/dbraw/zinc/43/11/41/426431141.db2.gz OXUKXSPSUZFKDL-CYBMUJFWSA-N 0 3 316.376 2.920 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186459550 426530557 /nfs/dbraw/zinc/53/05/57/426530557.db2.gz PMPWUOMIGLMMCK-UHFFFAOYSA-N 0 3 316.376 2.846 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194943849 426497009 /nfs/dbraw/zinc/49/70/09/426497009.db2.gz RCHGTUCZFWHQIT-CQSZACIVSA-N 0 3 316.405 2.529 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)c1[O-] ZINC000194943849 426497011 /nfs/dbraw/zinc/49/70/11/426497011.db2.gz RCHGTUCZFWHQIT-CQSZACIVSA-N 0 3 316.405 2.529 20 10 DFCDHN CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CC2 ZINC000186294142 426501573 /nfs/dbraw/zinc/50/15/73/426501573.db2.gz ILKJCEMGFXFQFV-AAEUAGOBSA-N 0 3 318.396 2.912 20 10 DFCDHN Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c([O-])c1O ZINC000177672493 426504433 /nfs/dbraw/zinc/50/44/33/426504433.db2.gz WVWWKXPNZAHTNP-CQSZACIVSA-N 0 3 320.433 2.791 20 10 DFCDHN Cc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c([O-])c1O ZINC000177672493 426504434 /nfs/dbraw/zinc/50/44/34/426504434.db2.gz WVWWKXPNZAHTNP-CQSZACIVSA-N 0 3 320.433 2.791 20 10 DFCDHN CCOc1cccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280404334 426568808 /nfs/dbraw/zinc/56/88/08/426568808.db2.gz YBEZTJFYZYBGMY-GOSISDBHSA-N 0 3 321.417 2.561 20 10 DFCDHN COc1cc(Cl)cc(CN[C@@H](CO)c2ccccc2)c1O ZINC000228674191 426634903 /nfs/dbraw/zinc/63/49/03/426634903.db2.gz UOSNNJPHALUHLK-AWEZNQCLSA-N 0 3 307.777 2.877 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)CCCO)c1[O-] ZINC000230935481 426651198 /nfs/dbraw/zinc/65/11/98/426651198.db2.gz TTXRVBLOYRXEFT-UHFFFAOYSA-N 0 3 301.814 2.943 20 10 DFCDHN Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289659081 426670531 /nfs/dbraw/zinc/67/05/31/426670531.db2.gz NDTCHYLCEOEOEV-CHWSQXEVSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289659081 426670536 /nfs/dbraw/zinc/67/05/36/426670536.db2.gz NDTCHYLCEOEOEV-CHWSQXEVSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1cccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289659081 426670537 /nfs/dbraw/zinc/67/05/37/426670537.db2.gz NDTCHYLCEOEOEV-CHWSQXEVSA-N 0 3 303.324 2.693 20 10 DFCDHN CCC[N@H+](CCc1ccccn1)Cc1cc2c(cc1[O-])OCO2 ZINC000289866410 426675097 /nfs/dbraw/zinc/67/50/97/426675097.db2.gz QYORBRDOMWYFJE-UHFFFAOYSA-N 0 3 314.385 2.971 20 10 DFCDHN CCC[N@@H+](CCc1ccccn1)Cc1cc2c(cc1[O-])OCO2 ZINC000289866410 426675101 /nfs/dbraw/zinc/67/51/01/426675101.db2.gz QYORBRDOMWYFJE-UHFFFAOYSA-N 0 3 314.385 2.971 20 10 DFCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCCN1 ZINC000237219161 426690175 /nfs/dbraw/zinc/69/01/75/426690175.db2.gz VQEPAAHKDQPVDQ-GOSISDBHSA-N 0 3 315.461 2.777 20 10 DFCDHN Nc1ccc(CC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000237903247 426696025 /nfs/dbraw/zinc/69/60/25/426696025.db2.gz YJCBWOHPCDWEHM-IBGZPJMESA-N 0 3 323.440 2.592 20 10 DFCDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(OC)ccc1O ZINC000245923140 426781685 /nfs/dbraw/zinc/78/16/85/426781685.db2.gz YGNJPCITBDESDA-MAZHCROVSA-N 0 3 319.401 2.707 20 10 DFCDHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290275163 426731299 /nfs/dbraw/zinc/73/12/99/426731299.db2.gz WPTUJFNZHBNBFX-RDBSUJKOSA-N 0 3 310.413 2.736 20 10 DFCDHN CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c([O-])c1 ZINC000290427435 426762025 /nfs/dbraw/zinc/76/20/25/426762025.db2.gz LESZTPBBHCRWLI-YOEHRIQHSA-N 0 3 306.450 2.953 20 10 DFCDHN CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c([O-])c1 ZINC000290427435 426762031 /nfs/dbraw/zinc/76/20/31/426762031.db2.gz LESZTPBBHCRWLI-YOEHRIQHSA-N 0 3 306.450 2.953 20 10 DFCDHN CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c([O-])c1 ZINC000290427430 426762531 /nfs/dbraw/zinc/76/25/31/426762531.db2.gz LESZTPBBHCRWLI-PBHICJAKSA-N 0 3 306.450 2.953 20 10 DFCDHN CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c([O-])c1 ZINC000290427430 426762535 /nfs/dbraw/zinc/76/25/35/426762535.db2.gz LESZTPBBHCRWLI-PBHICJAKSA-N 0 3 306.450 2.953 20 10 DFCDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1ccccc1 ZINC000179554903 426800419 /nfs/dbraw/zinc/80/04/19/426800419.db2.gz YXDWMDYGSUNVLG-UHFFFAOYSA-N 0 3 310.397 2.787 20 10 DFCDHN C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000290609422 426805214 /nfs/dbraw/zinc/80/52/14/426805214.db2.gz WJHWMTLJLZBGMD-GXTWGEPZSA-N 0 3 306.406 2.880 20 10 DFCDHN C[C@H]1[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1[O-] ZINC000290609422 426805218 /nfs/dbraw/zinc/80/52/18/426805218.db2.gz WJHWMTLJLZBGMD-GXTWGEPZSA-N 0 3 306.406 2.880 20 10 DFCDHN COC[C@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179642162 426808499 /nfs/dbraw/zinc/80/84/99/426808499.db2.gz OMVWYUSGWUTAGD-CRAIPNDOSA-N 0 3 315.413 2.963 20 10 DFCDHN COC[C@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179642162 426808507 /nfs/dbraw/zinc/80/85/07/426808507.db2.gz OMVWYUSGWUTAGD-CRAIPNDOSA-N 0 3 315.413 2.963 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000282455975 426915080 /nfs/dbraw/zinc/91/50/80/426915080.db2.gz VIGFOSPLNMCGKY-HWWQOWPSSA-N 0 3 302.418 2.589 20 10 DFCDHN Oc1cc2c(cc1CN1CC3(CCC3)[C@@H]1[C@@H]1CCCO1)OCO2 ZINC000290947663 426870754 /nfs/dbraw/zinc/87/07/54/426870754.db2.gz QKQNXNLTYWBBNV-YOEHRIQHSA-N 0 3 317.385 2.654 20 10 DFCDHN COc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000282838801 426925937 /nfs/dbraw/zinc/92/59/37/426925937.db2.gz CMBYAABLYXKFEA-UHFFFAOYSA-N 0 3 316.357 2.984 20 10 DFCDHN COc1cccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000282838801 426925946 /nfs/dbraw/zinc/92/59/46/426925946.db2.gz CMBYAABLYXKFEA-UHFFFAOYSA-N 0 3 316.357 2.984 20 10 DFCDHN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccc1[O-] ZINC000283206409 426973961 /nfs/dbraw/zinc/97/39/61/426973961.db2.gz LTIIIOAABZBPRA-JJRVBVJISA-N 0 3 305.418 2.611 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1[O-] ZINC000282971219 426933208 /nfs/dbraw/zinc/93/32/08/426933208.db2.gz LHYWCAPLHVEFPD-MRXNPFEDSA-N 0 3 301.386 2.841 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1C ZINC000282923206 426933812 /nfs/dbraw/zinc/93/38/12/426933812.db2.gz WALWYLSSMTYRIL-YJBOKZPZSA-N 0 3 319.445 2.666 20 10 DFCDHN CC[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccccc1[O-] ZINC000277046553 427132257 /nfs/dbraw/zinc/13/22/57/427132257.db2.gz GPTPRVBHVNUZCH-INIZCTEOSA-N 0 3 312.417 2.892 20 10 DFCDHN CO[C@H](C)[C@H](C)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268837711 427135886 /nfs/dbraw/zinc/13/58/86/427135886.db2.gz HBXOQFAGQATOQC-ZQDZILKHSA-N 0 3 324.440 2.952 20 10 DFCDHN NC1(C(=O)NCc2ccc(N3CCCC3)cc2)CCCCC1 ZINC000269252673 427151438 /nfs/dbraw/zinc/15/14/38/427151438.db2.gz QBMIZSNMUVLOIS-UHFFFAOYSA-N 0 3 301.434 2.565 20 10 DFCDHN CCCOc1ccc(C[NH2+]CCNC(=O)[C@@H](C)CCC)c([O-])c1 ZINC000292768057 427199763 /nfs/dbraw/zinc/19/97/63/427199763.db2.gz SJSIMZPKCXKKLJ-AWEZNQCLSA-N 0 3 322.449 2.823 20 10 DFCDHN Cc1cc(CN2CCS[C@@H]3COCC[C@H]32)ccc1N(C)C ZINC000292829390 427201665 /nfs/dbraw/zinc/20/16/65/427201665.db2.gz OPWBRTPGTRHMIR-IAGOWNOFSA-N 0 3 306.475 2.767 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000292968275 427207914 /nfs/dbraw/zinc/20/79/14/427207914.db2.gz MAPXFWYYGBBMPP-UHFFFAOYSA-N 0 3 312.413 2.827 20 10 DFCDHN COCC1(O)CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000270222862 427321499 /nfs/dbraw/zinc/32/14/99/427321499.db2.gz HGCDVZOPCGOIHD-UHFFFAOYSA-N 0 3 301.386 2.519 20 10 DFCDHN COc1cc(N2CCN(C3CCCC3)CC2)cc(OC)c1OC ZINC000183698071 427321906 /nfs/dbraw/zinc/32/19/06/427321906.db2.gz JQEIPUGSTUISEL-UHFFFAOYSA-N 0 3 320.433 2.777 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278121579 427410517 /nfs/dbraw/zinc/41/05/17/427410517.db2.gz BAHXGVMBHWVKAW-SMDDNHRTSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278121579 427410527 /nfs/dbraw/zinc/41/05/27/427410527.db2.gz BAHXGVMBHWVKAW-SMDDNHRTSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1ccc(O)c(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278121579 427410534 /nfs/dbraw/zinc/41/05/34/427410534.db2.gz BAHXGVMBHWVKAW-SMDDNHRTSA-N 0 3 303.324 2.836 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1C ZINC000271232880 427463078 /nfs/dbraw/zinc/46/30/78/427463078.db2.gz RCXLPVMGENFEJF-KRWDZBQOSA-N 0 3 303.377 2.841 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC(CNC(C)=O)CC2)cc1 ZINC000271158315 427425501 /nfs/dbraw/zinc/42/55/01/427425501.db2.gz WVPKUZMVDFHRBP-UHFFFAOYSA-N 0 3 317.477 2.881 20 10 DFCDHN CCOc1cccc(CN2CC[C@H](Oc3ccccn3)C2)c1O ZINC000271166362 427427808 /nfs/dbraw/zinc/42/78/08/427427808.db2.gz CDBHNDGAAKFRGE-HNNXBMFYSA-N 0 3 314.385 2.839 20 10 DFCDHN Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccccc3[O-])C2=O)cc1 ZINC000191807514 427429608 /nfs/dbraw/zinc/42/96/08/427429608.db2.gz VMMPJMFFHNTDSW-QGZVFWFLSA-N 0 3 310.397 2.591 20 10 DFCDHN CCOCc1cc(CN[C@H](COC)[C@H]2CCCO2)ccc1OC ZINC000278545152 427444408 /nfs/dbraw/zinc/44/44/08/427444408.db2.gz ANXWAOHOCLGIEO-SJLPKXTDSA-N 0 3 323.433 2.515 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1[O-] ZINC000184680898 427517436 /nfs/dbraw/zinc/51/74/36/427517436.db2.gz MKSNMBZKPUYRSN-LBPRGKRZSA-N 0 3 312.841 2.828 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1[O-] ZINC000184680898 427517438 /nfs/dbraw/zinc/51/74/38/427517438.db2.gz MKSNMBZKPUYRSN-LBPRGKRZSA-N 0 3 312.841 2.828 20 10 DFCDHN COCCC[N@H+](CCOC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184682837 427517656 /nfs/dbraw/zinc/51/76/56/427517656.db2.gz KYPMFAMETXWJRN-UHFFFAOYSA-N 0 3 317.813 2.539 20 10 DFCDHN COCCC[N@@H+](CCOC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184682837 427517662 /nfs/dbraw/zinc/51/76/62/427517662.db2.gz KYPMFAMETXWJRN-UHFFFAOYSA-N 0 3 317.813 2.539 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000184914583 427564196 /nfs/dbraw/zinc/56/41/96/427564196.db2.gz XLOCIGAAGLWLGC-OWCLPIDISA-N 0 3 306.450 2.851 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184914400 427564843 /nfs/dbraw/zinc/56/48/43/427564843.db2.gz BLWTZZVZQOOJAE-ZNMIVQPWSA-N 0 3 322.449 2.551 20 10 DFCDHN C[C@H]([NH2+]CCCN1C[C@H](C)O[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000184914810 427565610 /nfs/dbraw/zinc/56/56/10/427565610.db2.gz YNOCBCYZKBODHU-IHRRRGAJSA-N 0 3 310.413 2.681 20 10 DFCDHN CC(C)NC(=O)CC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000184981472 427572503 /nfs/dbraw/zinc/57/25/03/427572503.db2.gz XISCUPLRYZQRMS-CYBMUJFWSA-N 0 3 304.434 2.836 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000271811372 427586189 /nfs/dbraw/zinc/58/61/89/427586189.db2.gz KYSHLQAKWDXMCW-CQSZACIVSA-N 0 3 323.458 2.935 20 10 DFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185345509 427640672 /nfs/dbraw/zinc/64/06/72/427640672.db2.gz SRWJFFZJVMCKEX-SJORKVTESA-N 0 3 319.493 2.625 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c([O-])c1 ZINC000185444272 427654238 /nfs/dbraw/zinc/65/42/38/427654238.db2.gz UTTTXXSPBNFNKP-CQSZACIVSA-N 0 3 304.434 3.000 20 10 DFCDHN COCC[C@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185467640 427656339 /nfs/dbraw/zinc/65/63/39/427656339.db2.gz LAHFZPSUBDJFBI-ACJLOTCBSA-N 0 3 307.434 2.709 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294825165 427660902 /nfs/dbraw/zinc/66/09/02/427660902.db2.gz PIDSVZXRJOQTTN-ZDUSSCGKSA-N 0 3 320.433 2.514 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294825165 427660905 /nfs/dbraw/zinc/66/09/05/427660905.db2.gz PIDSVZXRJOQTTN-ZDUSSCGKSA-N 0 3 320.433 2.514 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H](c2cccnc2)C1 ZINC000295003462 427668489 /nfs/dbraw/zinc/66/84/89/427668489.db2.gz LMWXUTPFRWRUMY-WBVHZDCISA-N 0 3 302.349 2.936 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@H](CC(=O)OC(C)C)C2)c1 ZINC000185581714 427674532 /nfs/dbraw/zinc/67/45/32/427674532.db2.gz UJBJBMPQJLWXBO-CQSZACIVSA-N 0 3 321.417 2.955 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(SC)CCOCC2)c1 ZINC000186081015 427745827 /nfs/dbraw/zinc/74/58/27/427745827.db2.gz MVZLJPONAWSZJG-GFCCVEGCSA-N 0 3 311.447 2.964 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1cc(F)ccc1[O-] ZINC000359963001 428096652 /nfs/dbraw/zinc/09/66/52/428096652.db2.gz XUMVXDVBBWCMOQ-JSGCOSHPSA-N 0 3 316.380 2.641 20 10 DFCDHN C[C@@H]([NH2+]C[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1[O-] ZINC000360338835 428259433 /nfs/dbraw/zinc/25/94/33/428259433.db2.gz VDKSWZLIIFPJCE-CABCVRRESA-N 0 3 312.417 2.749 20 10 DFCDHN COc1cccc(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1[O-] ZINC000371371616 428386990 /nfs/dbraw/zinc/38/69/90/428386990.db2.gz CLPZPFAZUITGLC-OAHLLOKOSA-N 0 3 301.390 2.652 20 10 DFCDHN COc1cccc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)c1[O-] ZINC000371371616 428386995 /nfs/dbraw/zinc/38/69/95/428386995.db2.gz CLPZPFAZUITGLC-OAHLLOKOSA-N 0 3 301.390 2.652 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000372598401 428471361 /nfs/dbraw/zinc/47/13/61/428471361.db2.gz GYCGNXJJESCGSJ-KBPBESRZSA-N 0 3 315.417 2.760 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000372598401 428471366 /nfs/dbraw/zinc/47/13/66/428471366.db2.gz GYCGNXJJESCGSJ-KBPBESRZSA-N 0 3 315.417 2.760 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000372597436 428472133 /nfs/dbraw/zinc/47/21/33/428472133.db2.gz ZFQTYWPMCZJWSJ-UONOGXRCSA-N 0 3 301.390 2.995 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000372597436 428472137 /nfs/dbraw/zinc/47/21/37/428472137.db2.gz ZFQTYWPMCZJWSJ-UONOGXRCSA-N 0 3 301.390 2.995 20 10 DFCDHN CC[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000373477847 428588058 /nfs/dbraw/zinc/58/80/58/428588058.db2.gz CCFXCEKDXDTVJH-ROUUACIJSA-N 0 3 304.434 2.523 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1[O-] ZINC000362088424 428617047 /nfs/dbraw/zinc/61/70/47/428617047.db2.gz WCUFMHCAYKJOMA-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1[O-] ZINC000362088424 428617049 /nfs/dbraw/zinc/61/70/49/428617049.db2.gz WCUFMHCAYKJOMA-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000289835622 274114552 /nfs/dbraw/zinc/11/45/52/274114552.db2.gz ULTAJROGPLUCAI-AWEZNQCLSA-N 0 3 319.323 2.680 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c([O-])c1 ZINC000374269994 428671900 /nfs/dbraw/zinc/67/19/00/428671900.db2.gz PDTDHXYDBBJJGZ-YJBOKZPZSA-N 0 3 321.417 2.609 20 10 DFCDHN C[C@H](NC[C@H]1CN2CCCC[C@H]2CO1)c1ccc(N(C)C)cc1 ZINC000362310495 428697897 /nfs/dbraw/zinc/69/78/97/428697897.db2.gz RUYSEBYIKFAGEP-SNRMKQJTSA-N 0 3 317.477 2.657 20 10 DFCDHN Cc1noc(C2(C)CC[NH+](Cc3cc(C)ccc3[O-])CC2)n1 ZINC000374741489 428743619 /nfs/dbraw/zinc/74/36/19/428743619.db2.gz AUYGAEMXKDBJEJ-UHFFFAOYSA-N 0 3 301.390 2.946 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)c1 ZINC000363860130 428999695 /nfs/dbraw/zinc/99/96/95/428999695.db2.gz GHESAQCIPMAOOJ-RISCZKNCSA-N 0 3 313.401 2.707 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)c([O-])c1C ZINC000363866624 429131474 /nfs/dbraw/zinc/13/14/74/429131474.db2.gz INBLCXSQXROICB-AWEZNQCLSA-N 0 3 323.400 2.836 20 10 DFCDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)c1cc(OC)ccc1[O-])C2 ZINC000364630382 429238972 /nfs/dbraw/zinc/23/89/72/429238972.db2.gz HCLGRXWFIGSECV-LXIYXOSZSA-N 0 3 319.401 2.737 20 10 DFCDHN COC(=O)[C@]12CCC[C@H]1C[N@H+]([C@@H](C)c1cc(OC)ccc1[O-])C2 ZINC000364630382 429238975 /nfs/dbraw/zinc/23/89/75/429238975.db2.gz HCLGRXWFIGSECV-LXIYXOSZSA-N 0 3 319.401 2.737 20 10 DFCDHN COc1ccc2c(c1)[C@@H](N)CCN2C(=O)/C=C/c1cccnc1 ZINC000365493989 429330194 /nfs/dbraw/zinc/33/01/94/429330194.db2.gz PUGVVBYALJSMKJ-RRGWEWPQSA-N 0 3 309.369 2.540 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000365838229 429384021 /nfs/dbraw/zinc/38/40/21/429384021.db2.gz OUYREVWIWCZCQW-SFHVURJKSA-N 0 3 301.361 2.667 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000365838229 429384024 /nfs/dbraw/zinc/38/40/24/429384024.db2.gz OUYREVWIWCZCQW-SFHVURJKSA-N 0 3 301.361 2.667 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000367321130 429620481 /nfs/dbraw/zinc/62/04/81/429620481.db2.gz CZWXKLYHJDKLHO-MRXNPFEDSA-N 0 3 312.417 2.846 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(c2cccnn2)CC1 ZINC000367321130 429620485 /nfs/dbraw/zinc/62/04/85/429620485.db2.gz CZWXKLYHJDKLHO-MRXNPFEDSA-N 0 3 312.417 2.846 20 10 DFCDHN Oc1ccc(Cl)cc1CN1CCN([C@@H]2CCSC2)CC1 ZINC000367535153 429667438 /nfs/dbraw/zinc/66/74/38/429667438.db2.gz DQLMSDCMXORBAA-CQSZACIVSA-N 0 3 312.866 2.669 20 10 DFCDHN COCCn1cc2c(n1)[C@@H](N[C@@H](C)c1ccccc1O)CCC2 ZINC000368187396 429805645 /nfs/dbraw/zinc/80/56/45/429805645.db2.gz FWLXYNHLSFHXTM-BBRMVZONSA-N 0 3 315.417 2.963 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccncn3)C2)c1 ZINC000368330592 429831109 /nfs/dbraw/zinc/83/11/09/429831109.db2.gz GWKKWAZLHJAZET-HUUCEWRRSA-N 0 3 312.417 2.810 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c([O-])c1C ZINC000368334946 429831765 /nfs/dbraw/zinc/83/17/65/429831765.db2.gz XFOFCPVXMICYLZ-YYWXWVFPSA-N 0 3 302.418 2.669 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c([O-])c1C ZINC000368334945 429831865 /nfs/dbraw/zinc/83/18/65/429831865.db2.gz XFOFCPVXMICYLZ-UZMCECQYSA-N 0 3 302.418 2.669 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1C ZINC000369098392 429912804 /nfs/dbraw/zinc/91/28/04/429912804.db2.gz DARWZKXPKBOUIZ-QGZVFWFLSA-N 0 3 315.417 2.678 20 10 DFCDHN COCCC1CC[NH+](Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000529638684 430044388 /nfs/dbraw/zinc/04/43/88/430044388.db2.gz VKSDTDQLGOMQSQ-UHFFFAOYSA-N 0 3 309.406 2.658 20 10 DFCDHN COCCC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000529638684 430044390 /nfs/dbraw/zinc/04/43/90/430044390.db2.gz VKSDTDQLGOMQSQ-UHFFFAOYSA-N 0 3 309.406 2.658 20 10 DFCDHN CCOc1cccc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000227690096 279970818 /nfs/dbraw/zinc/97/08/18/279970818.db2.gz QGOZULFZNBIVFS-GFCCVEGCSA-N 0 3 324.421 2.794 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000365653578 280218927 /nfs/dbraw/zinc/21/89/27/280218927.db2.gz LZJMVVSJJPQENN-HYVNUMGLSA-N 0 3 304.434 2.638 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000365653578 280218930 /nfs/dbraw/zinc/21/89/30/280218930.db2.gz LZJMVVSJJPQENN-HYVNUMGLSA-N 0 3 304.434 2.638 20 10 DFCDHN CCOc1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1O ZINC000077220968 331673782 /nfs/dbraw/zinc/67/37/82/331673782.db2.gz JSXLNFUGRDLEQA-UHFFFAOYSA-N 0 3 302.330 2.989 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC(N(C)C(C)=O)CC2)cc1 ZINC000092538886 332128263 /nfs/dbraw/zinc/12/82/63/332128263.db2.gz YBNPNADOYSIAMG-UHFFFAOYSA-N 0 3 317.477 2.976 20 10 DFCDHN Cc1cccc(CN[C@H](c2cccnc2)C(C)(C)CO)c1O ZINC000293589202 335109821 /nfs/dbraw/zinc/10/98/21/335109821.db2.gz IJOSVCXEPXDEMK-QGZVFWFLSA-N 0 3 300.402 2.945 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CSCCS2)c1[O-] ZINC000169091233 332613842 /nfs/dbraw/zinc/61/38/42/332613842.db2.gz OLAIVRAIYONWQB-LLVKDONJSA-N 0 3 319.879 2.992 20 10 DFCDHN COc1cc(Cl)cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1[O-] ZINC000184694498 333364190 /nfs/dbraw/zinc/36/41/90/333364190.db2.gz QBRZRMAJNVXBTN-SMDDNHRTSA-N 0 3 310.825 2.723 20 10 DFCDHN COc1cc(Cl)cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1[O-] ZINC000184694498 333364192 /nfs/dbraw/zinc/36/41/92/333364192.db2.gz QBRZRMAJNVXBTN-SMDDNHRTSA-N 0 3 310.825 2.723 20 10 DFCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295904016 335138333 /nfs/dbraw/zinc/13/83/33/335138333.db2.gz IUECYSFPOPSLKP-DOTOQJQBSA-N 0 3 313.397 2.717 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCC3(CCOCC3)[C@H]1O)CC2 ZINC000296476057 335142156 /nfs/dbraw/zinc/14/21/56/335142156.db2.gz OUFRMFQSUHKXOF-DAYGRLMNSA-N 0 3 317.429 2.537 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)CC2 ZINC000297070541 335149184 /nfs/dbraw/zinc/14/91/84/335149184.db2.gz WJBOUQKVDKGIKT-CVEARBPZSA-N 0 3 301.361 2.712 20 10 DFCDHN CS(=O)(=O)CC1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297265820 335152225 /nfs/dbraw/zinc/15/22/25/335152225.db2.gz KIQYFSLQRMPGGX-PESDSKBTSA-N 0 3 323.458 2.573 20 10 DFCDHN CCCCOC[C@@H](O)CNCc1c(C)c2ccccc2n1C ZINC000571515917 333813168 /nfs/dbraw/zinc/81/31/68/333813168.db2.gz FOASGOWQICOKAH-HNNXBMFYSA-N 0 3 304.434 2.754 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@@]2(C)CCOC2)c1[O-] ZINC000271823021 334027588 /nfs/dbraw/zinc/02/75/88/334027588.db2.gz NFUDDKVTFIPEGF-ZDUSSCGKSA-N 0 3 300.196 2.732 20 10 DFCDHN C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1cc(F)ccc1[O-] ZINC000273475382 334048102 /nfs/dbraw/zinc/04/81/02/334048102.db2.gz KPFDNMGAWRDXQJ-ULFGMLNVSA-N 0 3 322.424 2.560 20 10 DFCDHN CCN1CCCC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352110449 336195313 /nfs/dbraw/zinc/19/53/13/336195313.db2.gz CQMVJKHSSSJBHJ-KRWDZBQOSA-N 0 3 313.445 2.977 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c1[O-] ZINC000367347812 336675746 /nfs/dbraw/zinc/67/57/46/336675746.db2.gz BHRQATMVZYANRS-UONOGXRCSA-N 0 3 308.809 2.597 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1 ZINC000360253117 336706343 /nfs/dbraw/zinc/70/63/43/336706343.db2.gz GZMPMJHVLHLKCM-HNNXBMFYSA-N 0 3 313.401 2.536 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)NC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000362293846 336791024 /nfs/dbraw/zinc/79/10/24/336791024.db2.gz PUDIMTGWZINARG-BEFAXECRSA-N 0 3 317.477 2.657 20 10 DFCDHN CCCOc1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c([O-])c1 ZINC000371331843 336900660 /nfs/dbraw/zinc/90/06/60/336900660.db2.gz LBJLYEFJAFLVHU-UHFFFAOYSA-N 0 3 319.401 2.710 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000373599870 336966301 /nfs/dbraw/zinc/96/63/01/336966301.db2.gz ZWARHRYQFDWMJU-MRXNPFEDSA-N 0 3 302.418 2.834 20 10 DFCDHN COCCn1ncc2c1[C@H]([NH2+][C@H](C)c1ccccc1[O-])CCC2 ZINC000375198502 337005640 /nfs/dbraw/zinc/00/56/40/337005640.db2.gz WXESNOGDAHJSDV-CZUORRHYSA-N 0 3 315.417 2.963 20 10 DFCDHN COCCn1ncc2c1[C@@H]([NH2+][C@H](C)c1ccccc1[O-])CCC2 ZINC000375198500 337005692 /nfs/dbraw/zinc/00/56/92/337005692.db2.gz WXESNOGDAHJSDV-CJNGLKHVSA-N 0 3 315.417 2.963 20 10 DFCDHN COc1cccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1[O-] ZINC000375272742 337006966 /nfs/dbraw/zinc/00/69/66/337006966.db2.gz SDKZAUABSHSLDG-UHFFFAOYSA-N 0 3 301.390 2.812 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)c1[O-] ZINC000375276303 337007046 /nfs/dbraw/zinc/00/70/46/337007046.db2.gz ROIFVBAAMJPMTF-AWEZNQCLSA-N 0 3 312.413 2.799 20 10 DFCDHN CN1CC[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])[C@@H]1c1cccnc1 ZINC000377256541 337049590 /nfs/dbraw/zinc/04/95/90/337049590.db2.gz LHMQVWLESMECSO-KSSFIOAISA-N 0 3 315.392 2.709 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1 ZINC000377543097 337054718 /nfs/dbraw/zinc/05/47/18/337054718.db2.gz PIWYCMVACLODSB-APYUEPQZSA-N 0 3 318.417 2.580 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1 ZINC000377543097 337054719 /nfs/dbraw/zinc/05/47/19/337054719.db2.gz PIWYCMVACLODSB-APYUEPQZSA-N 0 3 318.417 2.580 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCn3ccnc3C2)c1 ZINC000377689493 337058584 /nfs/dbraw/zinc/05/85/84/337058584.db2.gz BZMDNRXUMFEAPY-CHWSQXEVSA-N 0 3 301.390 2.511 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1C[C@H](C(=O)OC)[C@@H](C2CC2)C1 ZINC000377693207 337058858 /nfs/dbraw/zinc/05/88/58/337058858.db2.gz JULDIZUTEFUUID-PMPSAXMXSA-N 0 3 303.402 2.974 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1C[C@H](C(=O)OC)[C@@H](C2CC2)C1 ZINC000377693207 337058859 /nfs/dbraw/zinc/05/88/59/337058859.db2.gz JULDIZUTEFUUID-PMPSAXMXSA-N 0 3 303.402 2.974 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1C ZINC000377836817 337062372 /nfs/dbraw/zinc/06/23/72/337062372.db2.gz GDBRCWSXZCPRHU-INIZCTEOSA-N 0 3 312.417 2.558 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC[C@@H](c3noc(C)n3)C2)c1 ZINC000378349539 337070550 /nfs/dbraw/zinc/07/05/50/337070550.db2.gz KFUBZZFPLTWYOA-CYBMUJFWSA-N 0 3 317.389 2.862 20 10 DFCDHN CCC[C@@H](C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)N(C)C ZINC000378542819 337075410 /nfs/dbraw/zinc/07/54/10/337075410.db2.gz PAHICJYOADCLGV-SFHVURJKSA-N 0 3 315.461 2.709 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1[O-] ZINC000179907183 337172522 /nfs/dbraw/zinc/17/25/22/337172522.db2.gz YKCWTZQVHQJQQJ-QGZVFWFLSA-N 0 3 305.418 2.861 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000179907665 337172533 /nfs/dbraw/zinc/17/25/33/337172533.db2.gz NHYPZBKBEGCIKF-QGZVFWFLSA-N 0 3 321.417 2.561 20 10 DFCDHN Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184732055 337199186 /nfs/dbraw/zinc/19/91/86/337199186.db2.gz RTVKCWJNRJLZBP-CYBMUJFWSA-N 0 3 303.381 2.720 20 10 DFCDHN Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000184732055 337199187 /nfs/dbraw/zinc/19/91/87/337199187.db2.gz RTVKCWJNRJLZBP-CYBMUJFWSA-N 0 3 303.381 2.720 20 10 DFCDHN CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CC2 ZINC000185997557 337252437 /nfs/dbraw/zinc/25/24/37/337252437.db2.gz JWSNGWWPPJDTFU-DGCLKSJQSA-N 0 3 318.396 2.912 20 10 DFCDHN CN(C)c1ccc(CN2CCSC3(CCOCC3)C2)cc1 ZINC000186491790 337256636 /nfs/dbraw/zinc/25/66/36/337256636.db2.gz NKPSVJYRVZCAKG-UHFFFAOYSA-N 0 3 306.475 2.851 20 10 DFCDHN Cc1cccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c1O ZINC000189897280 337282679 /nfs/dbraw/zinc/28/26/79/337282679.db2.gz LTKFCXOVCNSTGE-UHFFFAOYSA-N 0 3 312.417 2.623 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC(n3cccn3)CC2)c1[O-] ZINC000092617871 337906700 /nfs/dbraw/zinc/90/67/00/337906700.db2.gz DAKOQAVYNGWWAG-UHFFFAOYSA-N 0 3 301.390 2.825 20 10 DFCDHN CCC(CC)[C@H](O)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230934664 340621424 /nfs/dbraw/zinc/62/14/24/340621424.db2.gz YSPXXUUKFGPXAS-CYBMUJFWSA-N 0 3 301.814 2.941 20 10 DFCDHN COC[C@]1([NH2+]Cc2cc(F)ccc2[O-])COc2ccccc2C1 ZINC000529669926 340767387 /nfs/dbraw/zinc/76/73/87/340767387.db2.gz XGNZHENMPURNKN-SFHVURJKSA-N 0 3 317.360 2.641 20 10 DFCDHN [O-]c1ccc(Br)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530178581 340781723 /nfs/dbraw/zinc/78/17/23/340781723.db2.gz OPXRSUIIDHAVAS-CYBMUJFWSA-N 0 3 311.223 2.529 20 10 DFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C ZINC000264964669 519655228 /nfs/dbraw/zinc/65/52/28/519655228.db2.gz BCKOOOJXAHKPHC-QGZVFWFLSA-N 0 3 303.450 2.584 20 10 DFCDHN CCOCc1cc(CNC[C@@H](O)c2ccc(C)o2)ccc1OC ZINC000265917671 520186794 /nfs/dbraw/zinc/18/67/94/520186794.db2.gz BPAMUHSMDLKUMJ-MRXNPFEDSA-N 0 3 319.401 2.956 20 10 DFCDHN CCN(CC)c1ccc(CN2CC[C@@H](OCCOC)C2)cc1 ZINC000188811799 520896702 /nfs/dbraw/zinc/89/67/02/520896702.db2.gz LDPDVSJYTZZPSB-GOSISDBHSA-N 0 3 306.450 2.770 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1[O-] ZINC000122077302 521335532 /nfs/dbraw/zinc/33/55/32/521335532.db2.gz LHTGALBZCKSLHS-UHFFFAOYSA-N 0 3 315.417 2.900 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000180125867 521341347 /nfs/dbraw/zinc/34/13/47/521341347.db2.gz MENGTYUTAYCRFY-INIZCTEOSA-N 0 3 315.417 2.960 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000180125867 521341357 /nfs/dbraw/zinc/34/13/57/521341357.db2.gz MENGTYUTAYCRFY-INIZCTEOSA-N 0 3 315.417 2.960 20 10 DFCDHN CCOC(=O)c1csc(CC[NH2+]Cc2cc(C)ccc2[O-])n1 ZINC000190348307 521588391 /nfs/dbraw/zinc/58/83/91/521588391.db2.gz YYOOSNYCLWAQAS-UHFFFAOYSA-N 0 3 320.414 2.666 20 10 DFCDHN COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(OC)c1[O-] ZINC000266972341 522313513 /nfs/dbraw/zinc/31/35/13/522313513.db2.gz OTTCQJIDSVORPD-MRXNPFEDSA-N 0 3 301.386 2.748 20 10 DFCDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000236951711 522366807 /nfs/dbraw/zinc/36/68/07/522366807.db2.gz GCUFGPSDHKUTCO-QAPCUYQASA-N 0 3 317.477 2.913 20 10 DFCDHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)c1ccccc1[O-])CC2 ZINC000156506149 522531192 /nfs/dbraw/zinc/53/11/92/522531192.db2.gz OBVQFVJMIDMLCL-OCCSQVGLSA-N 0 3 300.406 2.602 20 10 DFCDHN COc1cc([O-])c(C[N@H+](CCCO)CC(C)(C)C)cc1OC ZINC000180074289 522771845 /nfs/dbraw/zinc/77/18/45/522771845.db2.gz VQCVIXSCQKSJKF-UHFFFAOYSA-N 0 3 311.422 2.640 20 10 DFCDHN COc1cc([O-])c(C[N@@H+](CCCO)CC(C)(C)C)cc1OC ZINC000180074289 522771851 /nfs/dbraw/zinc/77/18/51/522771851.db2.gz VQCVIXSCQKSJKF-UHFFFAOYSA-N 0 3 311.422 2.640 20 10 DFCDHN CN1CCc2cc(CN[C@@H]3C[C@@H](CO)c4ccccc43)ccc21 ZINC000364987362 523996964 /nfs/dbraw/zinc/99/69/64/523996964.db2.gz FMWIPNTTZDNMGO-QFBILLFUSA-N 0 3 308.425 2.989 20 10 DFCDHN COCCOc1ccc(CNCc2cccc(OC)c2O)cc1 ZINC000237152348 524045487 /nfs/dbraw/zinc/04/54/87/524045487.db2.gz JEQQBFXUORLTNX-UHFFFAOYSA-N 0 3 317.385 2.716 20 10 DFCDHN COCCOc1ccc(C[NH2+]Cc2cccc(OC)c2[O-])cc1 ZINC000237152348 524045490 /nfs/dbraw/zinc/04/54/90/524045490.db2.gz JEQQBFXUORLTNX-UHFFFAOYSA-N 0 3 317.385 2.716 20 10 DFCDHN Cc1cccc(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000180078880 524379720 /nfs/dbraw/zinc/37/97/20/524379720.db2.gz RGBSGRUQXPVEGO-INIZCTEOSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1cccc(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000180078880 524379723 /nfs/dbraw/zinc/37/97/23/524379723.db2.gz RGBSGRUQXPVEGO-INIZCTEOSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1[O-] ZINC000180522096 524387358 /nfs/dbraw/zinc/38/73/58/524387358.db2.gz MORSOASAASOHTM-UHFFFAOYSA-N 0 3 302.418 2.678 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000179930843 524392450 /nfs/dbraw/zinc/39/24/50/524392450.db2.gz STLYMGAGFZIUPW-OAHLLOKOSA-N 0 3 304.434 2.685 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1[O-] ZINC000179930843 524392457 /nfs/dbraw/zinc/39/24/57/524392457.db2.gz STLYMGAGFZIUPW-OAHLLOKOSA-N 0 3 304.434 2.685 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000180614871 524742884 /nfs/dbraw/zinc/74/28/84/524742884.db2.gz ZYRJLFONWBQFIR-HNNXBMFYSA-N 0 3 301.390 2.570 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000180614871 524742893 /nfs/dbraw/zinc/74/28/93/524742893.db2.gz ZYRJLFONWBQFIR-HNNXBMFYSA-N 0 3 301.390 2.570 20 10 DFCDHN C[C@](O)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCCCC1 ZINC000191668177 525180455 /nfs/dbraw/zinc/18/04/55/525180455.db2.gz JNHZQYSPESPRSP-KRWDZBQOSA-N 0 3 307.390 2.542 20 10 DFCDHN COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])cc1 ZINC000182387904 525206800 /nfs/dbraw/zinc/20/68/00/525206800.db2.gz CRICAKNBFTUUAT-SGTLLEGYSA-N 0 3 317.385 2.794 20 10 DFCDHN Cc1cc(Br)cc(CN2CCC[C@](C)(O)C2)c1O ZINC000180377085 526156363 /nfs/dbraw/zinc/15/63/63/526156363.db2.gz JSDDRUIFFKGBME-AWEZNQCLSA-N 0 3 314.223 2.810 20 10 DFCDHN Cc1cc(Br)cc(CN2CCC[C@@](C)(O)C2)c1O ZINC000180377069 526157012 /nfs/dbraw/zinc/15/70/12/526157012.db2.gz JSDDRUIFFKGBME-CQSZACIVSA-N 0 3 314.223 2.810 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+](C)CC[C@@H](C)O)c1[O-] ZINC000180307511 526158529 /nfs/dbraw/zinc/15/85/29/526158529.db2.gz RKMKQFNCRNRILO-SNVBAGLBSA-N 0 3 302.212 2.666 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+](C)CC[C@@H](C)O)c1[O-] ZINC000180307511 526158538 /nfs/dbraw/zinc/15/85/38/526158538.db2.gz RKMKQFNCRNRILO-SNVBAGLBSA-N 0 3 302.212 2.666 20 10 DFCDHN Oc1cc2c(cc1CN1CCC(c3nccs3)CC1)OCO2 ZINC000364925714 526335474 /nfs/dbraw/zinc/33/54/74/526335474.db2.gz FJSSTDNIVBXPAW-UHFFFAOYSA-N 0 3 318.398 2.957 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@H]1CO ZINC000182977081 527616414 /nfs/dbraw/zinc/61/64/14/527616414.db2.gz ASKQSPKDHLXOKU-QGZVFWFLSA-N 0 3 313.397 2.928 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182977081 527616422 /nfs/dbraw/zinc/61/64/22/527616422.db2.gz ASKQSPKDHLXOKU-QGZVFWFLSA-N 0 3 313.397 2.928 20 10 DFCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)[C@]12CCCO2 ZINC000272681524 535411740 /nfs/dbraw/zinc/41/17/40/535411740.db2.gz NAUDYXSYEWKZOW-KZNAEPCWSA-N 0 3 322.424 2.708 20 10 DFCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1c(C)cc(C)cc1[O-])CC2 ZINC000284042910 282118442 /nfs/dbraw/zinc/11/84/42/282118442.db2.gz JYDXYYVXWRLPFF-OCCSQVGLSA-N 0 3 300.406 2.575 20 10 DFCDHN CCC[N@H+](C)C[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079469478 185172964 /nfs/dbraw/zinc/17/29/64/185172964.db2.gz ALDZOPBZALNCKE-CQSZACIVSA-N 0 3 322.424 2.898 20 10 DFCDHN CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000079469478 185172965 /nfs/dbraw/zinc/17/29/65/185172965.db2.gz ALDZOPBZALNCKE-CQSZACIVSA-N 0 3 322.424 2.898 20 10 DFCDHN CCOC(=O)[C@@H]1CCCN(Cc2cc(OCC)ccc2O)C1 ZINC000092456336 185319736 /nfs/dbraw/zinc/31/97/36/185319736.db2.gz SJJOBMZNWUMWNU-CYBMUJFWSA-N 0 3 307.390 2.566 20 10 DFCDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092456336 185319737 /nfs/dbraw/zinc/31/97/37/185319737.db2.gz SJJOBMZNWUMWNU-CYBMUJFWSA-N 0 3 307.390 2.566 20 10 DFCDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OCC)ccc2[O-])C1 ZINC000092456336 185319738 /nfs/dbraw/zinc/31/97/38/185319738.db2.gz SJJOBMZNWUMWNU-CYBMUJFWSA-N 0 3 307.390 2.566 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000092706480 185335065 /nfs/dbraw/zinc/33/50/65/185335065.db2.gz CXXNVYADGXLPLD-HNNXBMFYSA-N 0 3 304.434 2.685 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000092706480 185335066 /nfs/dbraw/zinc/33/50/66/185335066.db2.gz CXXNVYADGXLPLD-HNNXBMFYSA-N 0 3 304.434 2.685 20 10 DFCDHN CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273401920 534958816 /nfs/dbraw/zinc/95/88/16/534958816.db2.gz NLKGUJVDIVKWNG-CHWSQXEVSA-N 0 3 307.394 2.683 20 10 DFCDHN CCC[N@H+]1CC[C@H](CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273401920 534958821 /nfs/dbraw/zinc/95/88/21/534958821.db2.gz NLKGUJVDIVKWNG-CHWSQXEVSA-N 0 3 307.394 2.683 20 10 DFCDHN COc1ccc(CNCc2ccc(Cn3cncn3)cc2)cc1C ZINC000030634518 398505078 /nfs/dbraw/zinc/50/50/78/398505078.db2.gz SJMOWRIOJLQPFH-UHFFFAOYSA-N 0 3 322.412 2.933 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(OC3CCOCC3)CC2)c1 ZINC000093141032 398621892 /nfs/dbraw/zinc/62/18/92/398621892.db2.gz DNQMPRRYNOYLNU-UHFFFAOYSA-N 0 3 305.418 2.861 20 10 DFCDHN CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)cc2)[C@]12CCCO2 ZINC000272690522 535412519 /nfs/dbraw/zinc/41/25/19/535412519.db2.gz PIWXJNNKTFMECV-KZNAEPCWSA-N 0 3 304.434 2.569 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC(c3nc(C)no3)CC2)c1 ZINC000091836675 193115256 /nfs/dbraw/zinc/11/52/56/193115256.db2.gz SLOUMIRIMDPNIF-UHFFFAOYSA-N 0 3 317.389 2.862 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000092056895 193149716 /nfs/dbraw/zinc/14/97/16/193149716.db2.gz JEPDYWVAWJYTSM-UHFFFAOYSA-N 0 3 316.445 2.925 20 10 DFCDHN COc1ccc([C@@H](CO)N(C)Cc2cccc(OC)c2O)cc1 ZINC000093415660 193246538 /nfs/dbraw/zinc/24/65/38/193246538.db2.gz JEWDLNXCTLSFNA-MRXNPFEDSA-N 0 3 317.385 2.575 20 10 DFCDHN COc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000058093315 184074371 /nfs/dbraw/zinc/07/43/71/184074371.db2.gz JLGOMQBFHHPEKE-UHFFFAOYSA-N 0 3 302.330 2.641 20 10 DFCDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000366815214 335049506 /nfs/dbraw/zinc/04/95/06/335049506.db2.gz ZNCSXFGINUDESG-MPGHIAIKSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000366815214 335049508 /nfs/dbraw/zinc/04/95/08/335049508.db2.gz ZNCSXFGINUDESG-MPGHIAIKSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000366815214 335049510 /nfs/dbraw/zinc/04/95/10/335049510.db2.gz ZNCSXFGINUDESG-MPGHIAIKSA-N 0 3 305.418 2.859 20 10 DFCDHN COC[C@@H](CO)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000280964134 285223285 /nfs/dbraw/zinc/22/32/85/285223285.db2.gz KUGPSPFEFNYDHI-NVXWUHKLSA-N 0 3 306.450 2.725 20 10 DFCDHN NC(=O)c1ccc(C[N@H+](Cc2cc(F)ccc2[O-])C2CC2)cc1 ZINC000272307635 130019179 /nfs/dbraw/zinc/01/91/79/130019179.db2.gz QWFKIGDZVQWIHF-UHFFFAOYSA-N 0 3 314.360 2.795 20 10 DFCDHN NC(=O)c1ccc(C[N@@H+](Cc2cc(F)ccc2[O-])C2CC2)cc1 ZINC000272307635 130019181 /nfs/dbraw/zinc/01/91/81/130019181.db2.gz QWFKIGDZVQWIHF-UHFFFAOYSA-N 0 3 314.360 2.795 20 10 DFCDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc2ccccc2c1[O-] ZINC000273435212 130120140 /nfs/dbraw/zinc/12/01/40/130120140.db2.gz WUJGOUGZHKEGIG-GOEBONIOSA-N 0 3 314.429 2.653 20 10 DFCDHN C[C@H](NC[C@@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273426709 130120400 /nfs/dbraw/zinc/12/04/00/130120400.db2.gz ULMDNTOSBCUDEQ-LKFCYVNXSA-N 0 3 303.324 2.845 20 10 DFCDHN Cc1ccc([C@@H](C)NCCS(=O)(=O)C(C)(C)C)c(O)c1C ZINC000273517856 130130641 /nfs/dbraw/zinc/13/06/41/130130641.db2.gz SVIDPGGRHAJREW-CYBMUJFWSA-N 0 3 313.463 2.873 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1 ZINC000273510228 130130731 /nfs/dbraw/zinc/13/07/31/130130731.db2.gz RNCUDIZURILRAP-GMBSWORKSA-N 0 3 315.413 2.836 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000273550399 130135019 /nfs/dbraw/zinc/13/50/19/130135019.db2.gz FTJOQFHDFNGTDY-ZNMIVQPWSA-N 0 3 304.434 2.998 20 10 DFCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000273623328 130146620 /nfs/dbraw/zinc/14/66/20/130146620.db2.gz ZUSRIOZULHUCQM-JSGCOSHPSA-N 0 3 300.406 2.575 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c([O-])c1 ZINC000282954396 130948584 /nfs/dbraw/zinc/94/85/84/130948584.db2.gz CEQHMNAQVMZYNG-HDMKZQKVSA-N 0 3 319.445 2.919 20 10 DFCDHN CC(C)(C)[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000283993577 131039360 /nfs/dbraw/zinc/03/93/60/131039360.db2.gz MYZMCLZWEUMBJI-DOTOQJQBSA-N 0 3 307.434 2.780 20 10 DFCDHN CC(C)(C)[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000283993577 131039362 /nfs/dbraw/zinc/03/93/62/131039362.db2.gz MYZMCLZWEUMBJI-DOTOQJQBSA-N 0 3 307.434 2.780 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c([O-])c1C ZINC000284368499 131074234 /nfs/dbraw/zinc/07/42/34/131074234.db2.gz ODIPSDXSQLJKFU-LZWOXQAQSA-N 0 3 309.450 2.818 20 10 DFCDHN COC[C@@H]1C[C@H](OC)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000284585285 131094158 /nfs/dbraw/zinc/09/41/58/131094158.db2.gz OHPJGGGFWDIOPX-OALUTQOASA-N 0 3 318.461 2.913 20 10 DFCDHN Cc1ccc(O)c(CN[C@H](c2nccn2C)C2CCOCC2)c1 ZINC000284652160 131100707 /nfs/dbraw/zinc/10/07/07/131100707.db2.gz GFFJFRXQGWGLFT-KRWDZBQOSA-N 0 3 315.417 2.692 20 10 DFCDHN C[C@@H](N[C@@H](c1nccn1C)C1CCOCC1)c1ccccc1O ZINC000284759789 131109155 /nfs/dbraw/zinc/10/91/55/131109155.db2.gz GQQYNDRWJUJFIR-CXAGYDPISA-N 0 3 315.417 2.944 20 10 DFCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000285208406 131147323 /nfs/dbraw/zinc/14/73/23/131147323.db2.gz OJYRYCWCVRSCNW-LBPRGKRZSA-N 0 3 306.406 2.737 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000289181638 131364021 /nfs/dbraw/zinc/36/40/21/131364021.db2.gz AOLCLSFIMWPEJL-CYBMUJFWSA-N 0 3 321.417 2.955 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)c1 ZINC000289243123 131368692 /nfs/dbraw/zinc/36/86/92/131368692.db2.gz DTJOFRFRBCLIFN-OAHLLOKOSA-N 0 3 320.433 2.672 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2CCC(=O)NC)c1 ZINC000289243123 131368693 /nfs/dbraw/zinc/36/86/93/131368693.db2.gz DTJOFRFRBCLIFN-OAHLLOKOSA-N 0 3 320.433 2.672 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1[O-] ZINC000297239589 132005112 /nfs/dbraw/zinc/00/51/12/132005112.db2.gz IKPXEONRRUCIER-UYHMYPTGSA-N 0 3 318.417 2.908 20 10 DFCDHN C[C@@H]([NH2+]CCc1cnc2c(Cl)cnn2c1)c1ccccc1[O-] ZINC000297370704 132012417 /nfs/dbraw/zinc/01/24/17/132012417.db2.gz QLGFCJMRTPKSAE-LLVKDONJSA-N 0 3 316.792 2.982 20 10 DFCDHN CCC[C@H](CCO)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230934945 542893188 /nfs/dbraw/zinc/89/31/88/542893188.db2.gz QQYSRYBIXWOMMM-LLVKDONJSA-N 0 3 301.814 2.943 20 10 DFCDHN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000269649551 542962765 /nfs/dbraw/zinc/96/27/65/542962765.db2.gz UWBGYKYAJAKZPP-GOSISDBHSA-N 0 3 315.461 2.776 20 10 DFCDHN CN(C)CCN(C(=O)/C=C\c1cncs1)c1ccccc1 ZINC000493434395 299780156 /nfs/dbraw/zinc/78/01/56/299780156.db2.gz OQBRWSIVXATINI-HJWRWDBZSA-N 0 3 301.415 2.751 20 10 DFCDHN COCC[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000281565689 292629367 /nfs/dbraw/zinc/62/93/67/292629367.db2.gz KBIPIMHOACWULL-HOCLYGCPSA-N 0 3 324.440 2.864 20 10 DFCDHN C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000109770420 426032501 /nfs/dbraw/zinc/03/25/01/426032501.db2.gz CDTFYPQBDTWFBK-UHFFFAOYSA-N 0 3 302.330 2.811 20 10 DFCDHN C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1[O-] ZINC000109770420 426032503 /nfs/dbraw/zinc/03/25/03/426032503.db2.gz CDTFYPQBDTWFBK-UHFFFAOYSA-N 0 3 302.330 2.811 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000128497849 426120381 /nfs/dbraw/zinc/12/03/81/426120381.db2.gz AXSZIPFJPGABPE-AWEZNQCLSA-N 0 3 315.417 2.904 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c([O-])c1 ZINC000128497849 426120383 /nfs/dbraw/zinc/12/03/83/426120383.db2.gz AXSZIPFJPGABPE-AWEZNQCLSA-N 0 3 315.417 2.904 20 10 DFCDHN CN(c1ccc(CNC(=O)C(C)(C)N)cc1)C1CCCCC1 ZINC000166469485 426126775 /nfs/dbraw/zinc/12/67/75/426126775.db2.gz UNUQBTHFQDPUPV-UHFFFAOYSA-N 0 3 303.450 2.809 20 10 DFCDHN CCOc1cccc(CNCc2ccc(OC)c(O)c2)c1O ZINC000171134662 426172691 /nfs/dbraw/zinc/17/26/91/426172691.db2.gz IEOBCNSTHMUTRD-UHFFFAOYSA-N 0 3 303.358 2.795 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000151386315 426292666 /nfs/dbraw/zinc/29/26/66/426292666.db2.gz USUPQVYFMPIJPX-WMLDXEAASA-N 0 3 323.458 2.935 20 10 DFCDHN C[C@@H](NCc1cccnc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000151081770 426275797 /nfs/dbraw/zinc/27/57/97/426275797.db2.gz WJUDQFATHQZGDJ-CQSZACIVSA-N 0 3 315.392 2.908 20 10 DFCDHN CCOc1cccc(CN2CCC[C@H](n3cccn3)C2)c1O ZINC000092967558 426353218 /nfs/dbraw/zinc/35/32/18/426353218.db2.gz NGKZYXMBOXCVMY-HNNXBMFYSA-N 0 3 301.390 2.825 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)c1[O-] ZINC000092967558 426353220 /nfs/dbraw/zinc/35/32/20/426353220.db2.gz NGKZYXMBOXCVMY-HNNXBMFYSA-N 0 3 301.390 2.825 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](n3cccn3)C2)c1[O-] ZINC000092967558 426353221 /nfs/dbraw/zinc/35/32/21/426353221.db2.gz NGKZYXMBOXCVMY-HNNXBMFYSA-N 0 3 301.390 2.825 20 10 DFCDHN CN(C)c1ccc(CN2CCC(n3cccn3)CC2)cc1F ZINC000121926824 426355624 /nfs/dbraw/zinc/35/56/24/426355624.db2.gz FJIBQERNPMBJNW-UHFFFAOYSA-N 0 3 302.397 2.925 20 10 DFCDHN CCOC(=O)N[C@H]1CCCN(Cc2cccc(OCC)c2O)C1 ZINC000153982451 426417845 /nfs/dbraw/zinc/41/78/45/426417845.db2.gz AFRKNYJYVZZDTH-AWEZNQCLSA-N 0 3 322.405 2.501 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000123246898 426423045 /nfs/dbraw/zinc/42/30/45/426423045.db2.gz SJIZOQZQXYQDKI-CQSZACIVSA-N 0 3 307.390 2.566 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000123246898 426423048 /nfs/dbraw/zinc/42/30/48/426423048.db2.gz SJIZOQZQXYQDKI-CQSZACIVSA-N 0 3 307.390 2.566 20 10 DFCDHN CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1[O-] ZINC000155155136 426464021 /nfs/dbraw/zinc/46/40/21/426464021.db2.gz KGGNSKZACCHLQE-OAHLLOKOSA-N 0 3 309.373 2.609 20 10 DFCDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280075769 426502542 /nfs/dbraw/zinc/50/25/42/426502542.db2.gz LKJGTTLTCUJDAU-DOTOQJQBSA-N 0 3 306.450 2.710 20 10 DFCDHN CC[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280042307 426503012 /nfs/dbraw/zinc/50/30/12/426503012.db2.gz IYNWRYDCPYYQNZ-OAHLLOKOSA-N 0 3 313.463 2.956 20 10 DFCDHN CC(C)OCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186642162 426569120 /nfs/dbraw/zinc/56/91/20/426569120.db2.gz NZMXVLBABHHSCD-CQSZACIVSA-N 0 3 310.413 2.738 20 10 DFCDHN CCCOc1ccc(C[NH2+]CC2([S@](C)=O)CCC2)c([O-])c1 ZINC000280592463 426608462 /nfs/dbraw/zinc/60/84/62/426608462.db2.gz IQVSVTBZTWBONJ-NRFANRHFSA-N 0 3 311.447 2.572 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1OC ZINC000280377422 426562278 /nfs/dbraw/zinc/56/22/78/426562278.db2.gz FAZQSHKEZKXQSB-OCCSQVGLSA-N 0 3 309.406 2.535 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cc1OC ZINC000280377422 426562283 /nfs/dbraw/zinc/56/22/83/426562283.db2.gz FAZQSHKEZKXQSB-OCCSQVGLSA-N 0 3 309.406 2.535 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1[O-] ZINC000228671285 426635037 /nfs/dbraw/zinc/63/50/37/426635037.db2.gz RAQIGRAVDJRHKH-KGLIPLIRSA-N 0 3 310.825 2.771 20 10 DFCDHN CCN(C)c1ccc([C@H](C)NCCNC(=O)c2ccco2)cc1 ZINC000178489194 426639637 /nfs/dbraw/zinc/63/96/37/426639637.db2.gz VMVBOZVXFOEBPY-AWEZNQCLSA-N 0 3 315.417 2.816 20 10 DFCDHN COc1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000289717331 426673102 /nfs/dbraw/zinc/67/31/02/426673102.db2.gz FJJPYDWMXTZWIH-LPHOPBHVSA-N 0 3 313.397 2.657 20 10 DFCDHN CCOc1cccc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1[O-] ZINC000227690091 426629073 /nfs/dbraw/zinc/62/90/73/426629073.db2.gz QGOZULFZNBIVFS-LBPRGKRZSA-N 0 3 324.421 2.794 20 10 DFCDHN COc1cccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1[O-] ZINC000237207809 426690212 /nfs/dbraw/zinc/69/02/12/426690212.db2.gz HAWWPUHFZBLWIS-MRXNPFEDSA-N 0 3 300.402 2.793 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000290161390 426706559 /nfs/dbraw/zinc/70/65/59/426706559.db2.gz LXKQEWJLMLORBZ-KPZWWZAWSA-N 0 3 317.385 2.621 20 10 DFCDHN CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000290299869 426736748 /nfs/dbraw/zinc/73/67/48/426736748.db2.gz YQVBVFSRCPAMMW-JLSDUUJJSA-N 0 3 304.434 2.741 20 10 DFCDHN COc1cccc(CN2C[C@H](O)C[C@H]2c2cccc(F)c2)c1O ZINC000281660814 426737806 /nfs/dbraw/zinc/73/78/06/426737806.db2.gz CIVOYQDMAPLBSI-CVEARBPZSA-N 0 3 317.360 2.848 20 10 DFCDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(OC)c1O ZINC000246124938 426800941 /nfs/dbraw/zinc/80/09/41/426800941.db2.gz ACRUJLXHPZRIHU-CFVMTHIKSA-N 0 3 319.401 2.707 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000179572421 426801706 /nfs/dbraw/zinc/80/17/06/426801706.db2.gz VOGSLQOAHVIYNM-OAHLLOKOSA-N 0 3 300.406 2.513 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000179572421 426801711 /nfs/dbraw/zinc/80/17/11/426801711.db2.gz VOGSLQOAHVIYNM-OAHLLOKOSA-N 0 3 300.406 2.513 20 10 DFCDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000179562625 426803321 /nfs/dbraw/zinc/80/33/21/426803321.db2.gz GDCMTJXQQSKLAE-GDBMZVCRSA-N 0 3 304.434 2.909 20 10 DFCDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000179562625 426803326 /nfs/dbraw/zinc/80/33/26/426803326.db2.gz GDCMTJXQQSKLAE-GDBMZVCRSA-N 0 3 304.434 2.909 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1OC ZINC000179780250 426817113 /nfs/dbraw/zinc/81/71/13/426817113.db2.gz SYYAIIJRNHWTBN-LBPRGKRZSA-N 0 3 317.389 2.512 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1OC ZINC000179780250 426817115 /nfs/dbraw/zinc/81/71/15/426817115.db2.gz SYYAIIJRNHWTBN-LBPRGKRZSA-N 0 3 317.389 2.512 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000179803213 426818620 /nfs/dbraw/zinc/81/86/20/426818620.db2.gz IVFNUHWBCYTFRG-INIZCTEOSA-N 0 3 324.852 2.651 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000179803213 426818626 /nfs/dbraw/zinc/81/86/26/426818626.db2.gz IVFNUHWBCYTFRG-INIZCTEOSA-N 0 3 324.852 2.651 20 10 DFCDHN CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1[O-] ZINC000274960035 426859983 /nfs/dbraw/zinc/85/99/83/426859983.db2.gz WKZFUBUKPXRCRP-YQVWRLOYSA-N 0 3 318.461 2.811 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000291460523 426886792 /nfs/dbraw/zinc/88/67/92/426886792.db2.gz DCGQIAXUVPHICM-AEFFLSMTSA-N 0 3 301.361 2.787 20 10 DFCDHN C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282473237 426914169 /nfs/dbraw/zinc/91/41/69/426914169.db2.gz UVUVKQITTDHZIA-SCLBCKFNSA-N 0 3 310.397 2.673 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccccc1[O-] ZINC000283206411 426973899 /nfs/dbraw/zinc/97/38/99/426973899.db2.gz LTIIIOAABZBPRA-ZQIUZPCESA-N 0 3 305.418 2.611 20 10 DFCDHN O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000282921905 426934334 /nfs/dbraw/zinc/93/43/34/426934334.db2.gz HIKDPJDJCCBVRX-MRXNPFEDSA-N 0 3 311.385 2.788 20 10 DFCDHN CCOCc1cc(CNCCOCC(F)F)ccc1OC ZINC000276237910 427014021 /nfs/dbraw/zinc/01/40/21/427014021.db2.gz OSAKWCDAQOFHHP-UHFFFAOYSA-N 0 3 303.349 2.603 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)CC2 ZINC000295812141 427018149 /nfs/dbraw/zinc/01/81/49/427018149.db2.gz CTTAABXSDRRKQV-YPMHNXCESA-N 0 3 314.351 2.853 20 10 DFCDHN Cc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c([O-])c1O ZINC000182561517 427099984 /nfs/dbraw/zinc/09/99/84/427099984.db2.gz WRHXPHPVFBNTPQ-UHFFFAOYSA-N 0 3 318.417 2.543 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)[C@]12CCCO2 ZINC000296280754 427134307 /nfs/dbraw/zinc/13/43/07/427134307.db2.gz CPHZKOPAESJQKG-KMANFZQXSA-N 0 3 303.402 2.696 20 10 DFCDHN C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000268834856 427134428 /nfs/dbraw/zinc/13/44/28/427134428.db2.gz NCCJTDDGAQQFBM-GOEBONIOSA-N 0 3 301.434 2.558 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000252733869 427192849 /nfs/dbraw/zinc/19/28/49/427192849.db2.gz SVTULUAIWURACR-XJKSGUPXSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000252733869 427192855 /nfs/dbraw/zinc/19/28/55/427192855.db2.gz SVTULUAIWURACR-XJKSGUPXSA-N 0 3 301.390 2.680 20 10 DFCDHN CC[N@H+](Cc1cc(Br)cc(C)c1[O-])[C@H](C)CO ZINC000292813084 427201042 /nfs/dbraw/zinc/20/10/42/427201042.db2.gz PAOLZVNNRGMFBB-SNVBAGLBSA-N 0 3 302.212 2.666 20 10 DFCDHN CC[N@@H+](Cc1cc(Br)cc(C)c1[O-])[C@H](C)CO ZINC000292813084 427201050 /nfs/dbraw/zinc/20/10/50/427201050.db2.gz PAOLZVNNRGMFBB-SNVBAGLBSA-N 0 3 302.212 2.666 20 10 DFCDHN COc1ccc(N2CCN(CCC3(OC)CCC3)CC2)cc1F ZINC000292900543 427205155 /nfs/dbraw/zinc/20/51/55/427205155.db2.gz VXHXDEYHJVXSGN-UHFFFAOYSA-N 0 3 322.424 2.916 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183240094 427228838 /nfs/dbraw/zinc/22/88/38/427228838.db2.gz ZFUZSJZYOGCSCW-HNNXBMFYSA-N 0 3 321.417 2.766 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1 ZINC000183240094 427228844 /nfs/dbraw/zinc/22/88/44/427228844.db2.gz ZFUZSJZYOGCSCW-HNNXBMFYSA-N 0 3 321.417 2.766 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000277519683 427230656 /nfs/dbraw/zinc/23/06/56/427230656.db2.gz SHGZXZGEJWHQOV-INIZCTEOSA-N 0 3 304.434 2.897 20 10 DFCDHN C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000183520602 427286927 /nfs/dbraw/zinc/28/69/27/427286927.db2.gz ACKXBULIIKUDEY-HUUCEWRRSA-N 0 3 304.434 2.544 20 10 DFCDHN CO[C@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])C1CC1 ZINC000293577917 427369633 /nfs/dbraw/zinc/36/96/33/427369633.db2.gz HMUPZTXIFIRMPP-CYBMUJFWSA-N 0 3 314.223 2.978 20 10 DFCDHN C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000278784899 427452690 /nfs/dbraw/zinc/45/26/90/427452690.db2.gz ZPTSDQGBICXDJJ-AUUYWEPGSA-N 0 3 313.397 2.689 20 10 DFCDHN COc1cccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278416661 427436598 /nfs/dbraw/zinc/43/65/98/427436598.db2.gz QUJWXYRWFKMLFP-RISCZKNCSA-N 0 3 319.323 2.536 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCO[C@H](c2cncn2C)C1)c1cc(F)ccc1[O-] ZINC000278938134 427507102 /nfs/dbraw/zinc/50/71/02/427507102.db2.gz JZAPTYOYSYIMST-PPHDSNJXSA-N 0 3 319.380 2.836 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCc3nccn3C2)c1 ZINC000279004371 427525669 /nfs/dbraw/zinc/52/56/69/427525669.db2.gz RYPIXGRFMZCPBL-QWHCGFSZSA-N 0 3 301.390 2.511 20 10 DFCDHN O=C(NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000263711843 427547558 /nfs/dbraw/zinc/54/75/58/427547558.db2.gz UMIOAJHMTWPSGW-UHFFFAOYSA-N 0 3 310.397 2.675 20 10 DFCDHN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000185788403 427706171 /nfs/dbraw/zinc/70/61/71/427706171.db2.gz NCEHINUDWWRWMQ-BBRMVZONSA-N 0 3 316.445 2.933 20 10 DFCDHN C[C@H]1OCC[C@@]12C[N@H+](Cc1c([O-])ccc3ccccc31)CCO2 ZINC000279655800 427716060 /nfs/dbraw/zinc/71/60/60/427716060.db2.gz LGCPKLOFZXHBOM-AUUYWEPGSA-N 0 3 313.397 2.925 20 10 DFCDHN C[C@H]1OCC[C@@]12C[N@@H+](Cc1c([O-])ccc3ccccc31)CCO2 ZINC000279655800 427716066 /nfs/dbraw/zinc/71/60/66/427716066.db2.gz LGCPKLOFZXHBOM-AUUYWEPGSA-N 0 3 313.397 2.925 20 10 DFCDHN CN(C)c1ccc(CNCCn2ccnc2)c(C(F)(F)F)c1 ZINC000279792129 427718062 /nfs/dbraw/zinc/71/80/62/427718062.db2.gz CWYVWMDWHXVUJQ-UHFFFAOYSA-N 0 3 312.339 2.758 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000279745234 427718693 /nfs/dbraw/zinc/71/86/93/427718693.db2.gz XKOACNGPBMVDPE-NSHDSACASA-N 0 3 302.340 2.586 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000186021923 427741493 /nfs/dbraw/zinc/74/14/93/427741493.db2.gz LJZCPTFKYQLDTJ-JQWIXIFHSA-N 0 3 316.323 2.514 20 10 DFCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186068609 427745343 /nfs/dbraw/zinc/74/53/43/427745343.db2.gz OCHLNEZEIFJKAU-LBPRGKRZSA-N 0 3 320.364 2.903 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c([O-])c1C ZINC000371877216 428406574 /nfs/dbraw/zinc/40/65/74/428406574.db2.gz UBKIBIQBQAVBKZ-CABCVRRESA-N 0 3 314.433 2.672 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1ccccc1[O-] ZINC000372801734 428503741 /nfs/dbraw/zinc/50/37/41/428503741.db2.gz MBNCMLVBJVGCMM-INMHGKMJSA-N 0 3 304.434 2.686 20 10 DFCDHN O=C(Nc1nccs1)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000372972471 428508028 /nfs/dbraw/zinc/50/80/28/428508028.db2.gz HJQCIHVQGBBVGF-CYBMUJFWSA-N 0 3 317.414 2.699 20 10 DFCDHN O=C(Nc1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000372972471 428508032 /nfs/dbraw/zinc/50/80/32/428508032.db2.gz HJQCIHVQGBBVGF-CYBMUJFWSA-N 0 3 317.414 2.699 20 10 DFCDHN CC[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1ccccc1[O-] ZINC000373459536 428581198 /nfs/dbraw/zinc/58/11/98/428581198.db2.gz MBAZGJGBRMWEQX-GDBMZVCRSA-N 0 3 312.417 2.892 20 10 DFCDHN CC1(C)CN(Cc2cc(F)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000373611822 428620670 /nfs/dbraw/zinc/62/06/70/428620670.db2.gz PULDZVAIGSNRHR-QGZVFWFLSA-N 0 3 309.381 2.691 20 10 DFCDHN COc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373974903 428656265 /nfs/dbraw/zinc/65/62/65/428656265.db2.gz FZBJRWCAQCHWHK-DEYYWGMASA-N 0 3 321.417 2.559 20 10 DFCDHN O=C1C[C@H](NCc2ccc3c(c2)CCO3)CN1Cc1ccccc1 ZINC000363086299 428854221 /nfs/dbraw/zinc/85/42/21/428854221.db2.gz TYJKLGQVALMKDH-SFHVURJKSA-N 0 3 322.408 2.512 20 10 DFCDHN C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)c1cc(F)ccc1[O-] ZINC000363857517 429001187 /nfs/dbraw/zinc/00/11/87/429001187.db2.gz QDYIGTQMOGTJMV-LBPRGKRZSA-N 0 3 312.348 2.963 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000364624850 429237250 /nfs/dbraw/zinc/23/72/50/429237250.db2.gz UZPRZKDAWPMQMK-ZIAGYGMSSA-N 0 3 301.390 2.995 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000364624850 429237253 /nfs/dbraw/zinc/23/72/53/429237253.db2.gz UZPRZKDAWPMQMK-ZIAGYGMSSA-N 0 3 301.390 2.995 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000364762020 429262862 /nfs/dbraw/zinc/26/28/62/429262862.db2.gz XFPLCGRQLZINER-INIZCTEOSA-N 0 3 317.433 2.723 20 10 DFCDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000297674760 275520370 /nfs/dbraw/zinc/52/03/70/275520370.db2.gz LGVRCSAYCWHRST-ZIAGYGMSSA-N 0 3 318.417 2.979 20 10 DFCDHN CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccc(C)cc1[O-] ZINC000365581074 429346102 /nfs/dbraw/zinc/34/61/02/429346102.db2.gz LMDFLUSFVXBCHO-DOTOQJQBSA-N 0 3 304.434 2.605 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000367026638 429560910 /nfs/dbraw/zinc/56/09/10/429560910.db2.gz NDBNSGPTJWRWNN-CYBMUJFWSA-N 0 3 315.373 2.651 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1[O-] ZINC000367026638 429560914 /nfs/dbraw/zinc/56/09/14/429560914.db2.gz NDBNSGPTJWRWNN-CYBMUJFWSA-N 0 3 315.373 2.651 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1[C@H](CC)c1ccccc1[O-] ZINC000367297966 429615580 /nfs/dbraw/zinc/61/55/80/429615580.db2.gz AUKLULRWVWGVGN-OFQRWUPVSA-N 0 3 321.417 2.886 20 10 DFCDHN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1[C@H](CC)c1ccccc1[O-] ZINC000367297966 429615584 /nfs/dbraw/zinc/61/55/84/429615584.db2.gz AUKLULRWVWGVGN-OFQRWUPVSA-N 0 3 321.417 2.886 20 10 DFCDHN COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cc(OC)ccc2[O-])CC1(C)C ZINC000367315964 429619278 /nfs/dbraw/zinc/61/92/78/429619278.db2.gz BMRUKHLRXMMLEO-FZMZJTMJSA-N 0 3 307.390 2.593 20 10 DFCDHN COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2cc(OC)ccc2[O-])CC1(C)C ZINC000367315964 429619282 /nfs/dbraw/zinc/61/92/82/429619282.db2.gz BMRUKHLRXMMLEO-FZMZJTMJSA-N 0 3 307.390 2.593 20 10 DFCDHN CN1C(=O)c2ccccc2[C@@H]1CNCc1ccc2c(c1)CCO2 ZINC000527804080 429802494 /nfs/dbraw/zinc/80/24/94/429802494.db2.gz BDZDJOPJPBZKKO-KRWDZBQOSA-N 0 3 308.381 2.538 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000368024781 429769752 /nfs/dbraw/zinc/76/97/52/429769752.db2.gz UUYUGMSWJJWERW-UKMLZYKCSA-N 0 3 302.418 2.962 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000368024781 429769757 /nfs/dbraw/zinc/76/97/57/429769757.db2.gz UUYUGMSWJJWERW-UKMLZYKCSA-N 0 3 302.418 2.962 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368041388 429773614 /nfs/dbraw/zinc/77/36/14/429773614.db2.gz KWJQDDFFUANORY-BBRMVZONSA-N 0 3 312.417 3.095 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368041388 429773617 /nfs/dbraw/zinc/77/36/17/429773617.db2.gz KWJQDDFFUANORY-BBRMVZONSA-N 0 3 312.417 3.095 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)CC2 ZINC000527934553 429822878 /nfs/dbraw/zinc/82/28/78/429822878.db2.gz ROWZYZAORSPAPR-YPMHNXCESA-N 0 3 311.307 2.969 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c([O-])c1C ZINC000368325009 429832122 /nfs/dbraw/zinc/83/21/22/429832122.db2.gz WPVCWTXXWAVNEF-XHSDSOJGSA-N 0 3 304.434 2.523 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1N1CCOCC1)c1ccccc1[O-] ZINC000368408313 429844331 /nfs/dbraw/zinc/84/43/31/429844331.db2.gz WPGMKYFVPSZWHP-RYQLBKOJSA-N 0 3 318.461 2.934 20 10 DFCDHN CC[C@H](c1ccccc1O)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000368567582 429867529 /nfs/dbraw/zinc/86/75/29/429867529.db2.gz NFOLWQPZTANXDA-XHSDSOJGSA-N 0 3 303.402 2.913 20 10 DFCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1C ZINC000369377396 429934021 /nfs/dbraw/zinc/93/40/21/429934021.db2.gz ALESPYWWIDANAK-MPGHIAIKSA-N 0 3 305.418 2.777 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[O-] ZINC000285668743 277105961 /nfs/dbraw/zinc/10/59/61/277105961.db2.gz UDEYMVRFNOABAR-BLLLJJGKSA-N 0 3 320.408 2.793 20 10 DFCDHN CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CCc3cccc([O-])c32)C1)C(N)=O ZINC000296558659 277305096 /nfs/dbraw/zinc/30/50/96/277305096.db2.gz SCACMESTGRIGPE-DZGCQCFKSA-N 0 3 316.445 2.993 20 10 DFCDHN CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CCc3cccc([O-])c32)C1)C(N)=O ZINC000296558659 277305097 /nfs/dbraw/zinc/30/50/97/277305097.db2.gz SCACMESTGRIGPE-DZGCQCFKSA-N 0 3 316.445 2.993 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1OC ZINC000289195797 277385919 /nfs/dbraw/zinc/38/59/19/277385919.db2.gz BCIVNODGXJXWHP-DZGCQCFKSA-N 0 3 323.433 2.925 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1OC ZINC000289195797 277385920 /nfs/dbraw/zinc/38/59/20/277385920.db2.gz BCIVNODGXJXWHP-DZGCQCFKSA-N 0 3 323.433 2.925 20 10 DFCDHN C[C@H]1OCC[C@@]12CN(Cc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000279734264 280064719 /nfs/dbraw/zinc/06/47/19/280064719.db2.gz JXMUTKDESBUZLT-IIDMSEBBSA-N 0 3 304.434 2.521 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000367667733 281025210 /nfs/dbraw/zinc/02/52/10/281025210.db2.gz CZRHCYOBGRXTOE-HLLBOEOZSA-N 0 3 304.434 2.638 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000367667733 281025212 /nfs/dbraw/zinc/02/52/12/281025212.db2.gz CZRHCYOBGRXTOE-HLLBOEOZSA-N 0 3 304.434 2.638 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(CN2CCOCC2)CC1 ZINC000363687266 332221676 /nfs/dbraw/zinc/22/16/76/332221676.db2.gz NRZOSFJEBKPNIT-GOSISDBHSA-N 0 3 318.461 2.888 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@@H](CO)C2CCCCC2)cc1OC ZINC000293707151 335112466 /nfs/dbraw/zinc/11/24/66/335112466.db2.gz SDVVHTYGDJQPCT-HNNXBMFYSA-N 0 3 323.433 2.688 20 10 DFCDHN Cc1cccc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)c1O ZINC000293768133 335113147 /nfs/dbraw/zinc/11/31/47/335113147.db2.gz YHJSHOIAHGZHNM-SFHVURJKSA-N 0 3 324.424 2.634 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1[O-] ZINC000293768133 335113149 /nfs/dbraw/zinc/11/31/49/335113149.db2.gz YHJSHOIAHGZHNM-SFHVURJKSA-N 0 3 324.424 2.634 20 10 DFCDHN Cc1cccc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c1[O-] ZINC000293768133 335113150 /nfs/dbraw/zinc/11/31/50/335113150.db2.gz YHJSHOIAHGZHNM-SFHVURJKSA-N 0 3 324.424 2.634 20 10 DFCDHN C[C@@H](NCCC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000178199487 333004591 /nfs/dbraw/zinc/00/45/91/333004591.db2.gz CAIQDYXUNRDRLL-OAHLLOKOSA-N 0 3 303.450 2.806 20 10 DFCDHN Cc1cc(O)c(CN2C[C@@H](C)OC3(CCOCC3)C2)cc1C ZINC000363945022 333206244 /nfs/dbraw/zinc/20/62/44/333206244.db2.gz IWCYJCJOFVYLFT-OAHLLOKOSA-N 0 3 305.418 2.779 20 10 DFCDHN CCOc1ccc(O)c(CN(C)[C@@H](CO)c2ccccc2)c1 ZINC000294937848 335128807 /nfs/dbraw/zinc/12/88/07/335128807.db2.gz BZPXDDJIQUUWJU-KRWDZBQOSA-N 0 3 301.386 2.956 20 10 DFCDHN Cc1cc(Br)cc(CN2CCC[C@H](O)[C@@H]2C)c1O ZINC000294958449 335129304 /nfs/dbraw/zinc/12/93/04/335129304.db2.gz IDTDWRIGAIYTPT-GWCFXTLKSA-N 0 3 314.223 2.808 20 10 DFCDHN CN(Cc1cccs1)c1ccc(CN2CC[C@H](O)C2)cc1 ZINC000295002945 335129940 /nfs/dbraw/zinc/12/99/40/335129940.db2.gz YULSYURWNSBNRB-INIZCTEOSA-N 0 3 302.443 2.951 20 10 DFCDHN CN(C)c1ccc(CN(C[C@H](O)c2cccnc2)C2CC2)cc1 ZINC000295433235 335134968 /nfs/dbraw/zinc/13/49/68/335134968.db2.gz FXWOUUDOFVWOGT-IBGZPJMESA-N 0 3 311.429 2.846 20 10 DFCDHN O=C1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CN1c1ccccc1 ZINC000295799699 335137890 /nfs/dbraw/zinc/13/78/90/335137890.db2.gz CAKRBEKQEIQPCK-GOEBONIOSA-N 0 3 308.381 2.775 20 10 DFCDHN O=C1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CN1c1ccccc1 ZINC000295799704 335138219 /nfs/dbraw/zinc/13/82/19/335138219.db2.gz CAKRBEKQEIQPCK-HOCLYGCPSA-N 0 3 308.381 2.775 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)CC2 ZINC000296177036 335141981 /nfs/dbraw/zinc/14/19/81/335141981.db2.gz XXFSHTXFODMZMX-GDBMZVCRSA-N 0 3 317.360 2.548 20 10 DFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/C=C/CN(C)C ZINC000265645523 333967306 /nfs/dbraw/zinc/96/73/06/333967306.db2.gz MZIDHEIOQFOFRY-BQYQJAHWSA-N 0 3 303.450 2.607 20 10 DFCDHN C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000273463352 334047247 /nfs/dbraw/zinc/04/72/47/334047247.db2.gz INLLQLHYZPNNTC-XHDPSFHLSA-N 0 3 307.340 2.925 20 10 DFCDHN COC1CCN(c2ccc(CN3CCSCC3)cc2)CC1 ZINC000295425410 334222998 /nfs/dbraw/zinc/22/29/98/334222998.db2.gz FHOXFLHIIGGWNE-UHFFFAOYSA-N 0 3 306.475 2.851 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(C)cc1[O-] ZINC000366859333 335221638 /nfs/dbraw/zinc/22/16/38/335221638.db2.gz TZOOYGPUAWFXAS-INMHGKMJSA-N 0 3 304.434 2.605 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(C)cc1[O-] ZINC000366859336 335221670 /nfs/dbraw/zinc/22/16/70/335221670.db2.gz TZOOYGPUAWFXAS-ZOBUZTSGSA-N 0 3 304.434 2.605 20 10 DFCDHN COC(=O)c1cc(CNCc2c(C)c3ccccc3n2C)c[nH]1 ZINC000355129344 336495807 /nfs/dbraw/zinc/49/58/07/336495807.db2.gz WVTYDBCAEQPDKG-UHFFFAOYSA-N 0 3 311.385 2.891 20 10 DFCDHN Cc1cccc(C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1[O-] ZINC000367956340 336833025 /nfs/dbraw/zinc/83/30/25/336833025.db2.gz NBXCBIQBOABYEO-DOTOQJQBSA-N 0 3 305.418 2.500 20 10 DFCDHN O=C1C[C@H]([NH2+]Cc2c([O-])ccc3ccccc32)[C@@H]2CCCCN12 ZINC000369225053 336860882 /nfs/dbraw/zinc/86/08/82/336860882.db2.gz NFOYAUFCHNSJTE-IRXDYDNUSA-N 0 3 310.397 2.788 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000373901704 336976743 /nfs/dbraw/zinc/97/67/43/336976743.db2.gz BUKFNJDKDSRIAD-WBVHZDCISA-N 0 3 316.445 2.971 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC000375012118 337001510 /nfs/dbraw/zinc/00/15/10/337001510.db2.gz KCNDSKDIRPQTQC-KRWDZBQOSA-N 0 3 316.445 2.925 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1[O-] ZINC000375012118 337001511 /nfs/dbraw/zinc/00/15/11/337001511.db2.gz KCNDSKDIRPQTQC-KRWDZBQOSA-N 0 3 316.445 2.925 20 10 DFCDHN COc1cc(O)c(CN2CCCO[C@H]3CCC[C@@H]32)cc1OC ZINC000375023425 337001808 /nfs/dbraw/zinc/00/18/08/337001808.db2.gz UPFQPHLIIPEGNJ-ZFWWWQNUSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCO[C@H]3CCC[C@@H]32)cc1OC ZINC000375023425 337001809 /nfs/dbraw/zinc/00/18/09/337001809.db2.gz UPFQPHLIIPEGNJ-ZFWWWQNUSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)cc1OC ZINC000375023425 337001810 /nfs/dbraw/zinc/00/18/10/337001810.db2.gz UPFQPHLIIPEGNJ-ZFWWWQNUSA-N 0 3 307.390 2.553 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCCC[C@@H]3CO2)c([O-])c1C ZINC000375242462 337006513 /nfs/dbraw/zinc/00/65/13/337006513.db2.gz OJOFTUMWFRVWDM-GVDBMIGSSA-N 0 3 318.461 2.913 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(C)cc1[O-] ZINC000375307048 337007753 /nfs/dbraw/zinc/00/77/53/337007753.db2.gz ZXFVLZKGUWQMAN-RLFYNMQTSA-N 0 3 302.418 2.799 20 10 DFCDHN CC1(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)COC1 ZINC000375769522 337019310 /nfs/dbraw/zinc/01/93/10/337019310.db2.gz QQYARMSCWHNOPG-OAHLLOKOSA-N 0 3 324.852 2.636 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCn3ccnc32)c1 ZINC000375843841 337021126 /nfs/dbraw/zinc/02/11/26/337021126.db2.gz BRXSAIXUWUCWTR-QWHCGFSZSA-N 0 3 301.390 2.826 20 10 DFCDHN CCOc1ccc(O)c(CNCc2cnc3n2CCCC3)c1 ZINC000376759324 337040533 /nfs/dbraw/zinc/04/05/33/337040533.db2.gz UIHOUOGLLCBPRZ-UHFFFAOYSA-N 0 3 301.390 2.614 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccncc3)C1)OCO2 ZINC000376868252 337042950 /nfs/dbraw/zinc/04/29/50/337042950.db2.gz YYIDPOFNABGNHX-CQSZACIVSA-N 0 3 312.369 2.581 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccncc3)C1)OCO2 ZINC000376868252 337042951 /nfs/dbraw/zinc/04/29/51/337042951.db2.gz YYIDPOFNABGNHX-CQSZACIVSA-N 0 3 312.369 2.581 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(CC(C)(C)O)CC1 ZINC000377665110 337057957 /nfs/dbraw/zinc/05/79/57/337057957.db2.gz ANXGWQVYWFYIPX-INIZCTEOSA-N 0 3 306.450 2.622 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(CC(C)(C)O)CC1 ZINC000377665110 337057958 /nfs/dbraw/zinc/05/79/58/337057958.db2.gz ANXGWQVYWFYIPX-INIZCTEOSA-N 0 3 306.450 2.622 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000377836818 337062377 /nfs/dbraw/zinc/06/23/77/337062377.db2.gz GDBRCWSXZCPRHU-MRXNPFEDSA-N 0 3 312.417 2.558 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1[O-] ZINC000378397030 337071785 /nfs/dbraw/zinc/07/17/85/337071785.db2.gz ANVUEMXGFADBFE-AWEZNQCLSA-N 0 3 307.390 2.566 20 10 DFCDHN Cc1nnc([C@@H]2CC23CC[NH+](Cc2cc(F)ccc2[O-])CC3)o1 ZINC000378496972 337074449 /nfs/dbraw/zinc/07/44/49/337074449.db2.gz PEBASPZGMZNHSI-AWEZNQCLSA-N 0 3 317.364 2.992 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1OC ZINC000360043004 337084292 /nfs/dbraw/zinc/08/42/92/337084292.db2.gz ZUKVQAABLMNVCF-VUCTXSBTSA-N 0 3 321.417 2.703 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(Cc3nccn3C)CC2)c1 ZINC000180116171 337171527 /nfs/dbraw/zinc/17/15/27/337171527.db2.gz YTJYCUSJJVGMBF-UHFFFAOYSA-N 0 3 315.417 2.589 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)c([O-])c1 ZINC000185025675 337201432 /nfs/dbraw/zinc/20/14/32/337201432.db2.gz QFFLRDBHEWULEK-ZDUSSCGKSA-N 0 3 309.373 2.527 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1C ZINC000527813988 337765724 /nfs/dbraw/zinc/76/57/24/337765724.db2.gz XXNOHHCIVQVUFQ-UHFFFAOYSA-N 0 3 304.434 2.747 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]CCCn2cc(Br)cn2)c1 ZINC000288392275 340200345 /nfs/dbraw/zinc/20/03/45/340200345.db2.gz HFHCITJIROJUAG-UHFFFAOYSA-N 0 3 324.222 2.840 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1 ZINC000237204645 340668922 /nfs/dbraw/zinc/66/89/22/340668922.db2.gz XUYBBQOGGMPTOR-KRWDZBQOSA-N 0 3 300.402 2.793 20 10 DFCDHN CCOCCOCC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000191569842 519994550 /nfs/dbraw/zinc/99/45/50/519994550.db2.gz DZXPBQIXYWVGNW-UHFFFAOYSA-N 0 3 317.813 2.539 20 10 DFCDHN CCOCCOCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000191569842 519994566 /nfs/dbraw/zinc/99/45/66/519994566.db2.gz DZXPBQIXYWVGNW-UHFFFAOYSA-N 0 3 317.813 2.539 20 10 DFCDHN CC1CCN(c2ccc(CNC(=O)/C=C/CN(C)C)cc2)CC1 ZINC000265706525 521040080 /nfs/dbraw/zinc/04/00/80/521040080.db2.gz SSTQFEDQMFQZQH-SNAWJCMRSA-N 0 3 315.461 2.657 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000128432409 521343243 /nfs/dbraw/zinc/34/32/43/521343243.db2.gz OWXKODYSANAMPC-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000128432409 521343253 /nfs/dbraw/zinc/34/32/53/521343253.db2.gz OWXKODYSANAMPC-CYBMUJFWSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2ccccc2[O-])n1 ZINC000191561268 521589577 /nfs/dbraw/zinc/58/95/77/521589577.db2.gz GCUGRZCOVNDZMC-NSHDSACASA-N 0 3 320.414 2.919 20 10 DFCDHN CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000188857095 522573643 /nfs/dbraw/zinc/57/36/43/522573643.db2.gz RUIQTMBCCQYVDD-INIZCTEOSA-N 0 3 301.386 2.832 20 10 DFCDHN COC[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C)O1 ZINC000190212252 522870436 /nfs/dbraw/zinc/87/04/36/522870436.db2.gz CQBLTNRTPCEAJE-UKRRQHHQSA-N 0 3 301.386 2.781 20 10 DFCDHN COC[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H](C)O1 ZINC000190212252 522870444 /nfs/dbraw/zinc/87/04/44/522870444.db2.gz CQBLTNRTPCEAJE-UKRRQHHQSA-N 0 3 301.386 2.781 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000367604897 524745775 /nfs/dbraw/zinc/74/57/75/524745775.db2.gz CCRNWUIHNILNIE-SFHVURJKSA-N 0 3 317.360 2.633 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000367604897 524745787 /nfs/dbraw/zinc/74/57/87/524745787.db2.gz CCRNWUIHNILNIE-SFHVURJKSA-N 0 3 317.360 2.633 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000180719917 524747998 /nfs/dbraw/zinc/74/79/98/524747998.db2.gz SVTULUAIWURACR-BBRMVZONSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000180719917 524748008 /nfs/dbraw/zinc/74/80/08/524748008.db2.gz SVTULUAIWURACR-BBRMVZONSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c1 ZINC000181015115 524753524 /nfs/dbraw/zinc/75/35/24/524753524.db2.gz GEEKRFIQFOVMSU-INIZCTEOSA-N 0 3 321.417 2.956 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC(N3CCCC3=O)CC2)c1[O-] ZINC000180053923 524862833 /nfs/dbraw/zinc/86/28/33/524862833.db2.gz HSDNWKPSOMUVRO-UHFFFAOYSA-N 0 3 322.836 2.941 20 10 DFCDHN C[C@H](N[C@H]1CCCCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000177876222 525604649 /nfs/dbraw/zinc/60/46/49/525604649.db2.gz WEGBWPIMMCWHHM-YJBOKZPZSA-N 0 3 315.461 2.996 20 10 DFCDHN COc1cccc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1[O-] ZINC000266149742 526023232 /nfs/dbraw/zinc/02/32/32/526023232.db2.gz KBXJMHLXGBQXRM-KRWDZBQOSA-N 0 3 305.374 2.608 20 10 DFCDHN Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)no1 ZINC000179999586 526924069 /nfs/dbraw/zinc/92/40/69/526924069.db2.gz LVKNOUYNYDOEMF-CQSZACIVSA-N 0 3 301.390 2.847 20 10 DFCDHN Cc1nc(C[C@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)no1 ZINC000179999586 526924072 /nfs/dbraw/zinc/92/40/72/526924072.db2.gz LVKNOUYNYDOEMF-CQSZACIVSA-N 0 3 301.390 2.847 20 10 DFCDHN O=C1NC[C@]2(CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC000364890794 527080150 /nfs/dbraw/zinc/08/01/50/527080150.db2.gz LGEJLHCMHGWTJX-SFHVURJKSA-N 0 3 312.369 2.620 20 10 DFCDHN O=C1NC[C@]2(CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC000364890794 527080153 /nfs/dbraw/zinc/08/01/53/527080153.db2.gz LGEJLHCMHGWTJX-SFHVURJKSA-N 0 3 312.369 2.620 20 10 DFCDHN CCCN1CC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273401920 534958811 /nfs/dbraw/zinc/95/88/11/534958811.db2.gz NLKGUJVDIVKWNG-CHWSQXEVSA-N 0 3 307.394 2.683 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](OCC)[C@]23CCCO3)c1 ZINC000273570087 535752984 /nfs/dbraw/zinc/75/29/84/535752984.db2.gz GHYYKHJKEVMPSR-KURKYZTESA-N 0 3 321.417 2.607 20 10 DFCDHN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ccc(N(C)C)cc1 ZINC000284734595 536623650 /nfs/dbraw/zinc/62/36/50/536623650.db2.gz UCIPOCYKFCSLKU-GUDVDZBRSA-N 0 3 318.461 2.769 20 10 DFCDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090182349 185285888 /nfs/dbraw/zinc/28/58/88/185285888.db2.gz RFAANFINLVMGTN-UKRRQHHQSA-N 0 3 301.434 2.557 20 10 DFCDHN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000092707397 185335328 /nfs/dbraw/zinc/33/53/28/185335328.db2.gz OLMTUPAKQDQHIW-QGZVFWFLSA-N 0 3 317.477 2.881 20 10 DFCDHN Cc1cc(O)c(CN2CCN(c3ccc(F)cn3)CC2)cc1C ZINC000091588975 398535421 /nfs/dbraw/zinc/53/54/21/398535421.db2.gz FBYURLNVXHMSJK-UHFFFAOYSA-N 0 3 315.392 2.865 20 10 DFCDHN COc1cccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000093387931 398635519 /nfs/dbraw/zinc/63/55/19/398635519.db2.gz VTBLODPGSJQEQA-KRWDZBQOSA-N 0 3 313.397 2.883 20 10 DFCDHN COc1cccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1[O-] ZINC000093387931 398635522 /nfs/dbraw/zinc/63/55/22/398635522.db2.gz VTBLODPGSJQEQA-KRWDZBQOSA-N 0 3 313.397 2.883 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000093585491 398640841 /nfs/dbraw/zinc/64/08/41/398640841.db2.gz FAPOKCGOEDLCPO-CRAIPNDOSA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000093585491 398640843 /nfs/dbraw/zinc/64/08/43/398640843.db2.gz FAPOKCGOEDLCPO-CRAIPNDOSA-N 0 3 305.418 2.918 20 10 DFCDHN c1ncn(Cc2ccc(CNCc3ccc4c(c3)CCO4)cc2)n1 ZINC000054173702 398892507 /nfs/dbraw/zinc/89/25/07/398892507.db2.gz BABRGCDTHUQNPX-UHFFFAOYSA-N 0 3 320.396 2.551 20 10 DFCDHN C[N@H+](Cc1ccccc1[O-])Cc1ccccc1N1CCOCC1 ZINC000091974595 193135149 /nfs/dbraw/zinc/13/51/49/193135149.db2.gz OVIHTINEQGXPDV-UHFFFAOYSA-N 0 3 312.413 2.861 20 10 DFCDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccccc1N1CCOCC1 ZINC000091974595 193135151 /nfs/dbraw/zinc/13/51/51/193135151.db2.gz OVIHTINEQGXPDV-UHFFFAOYSA-N 0 3 312.413 2.861 20 10 DFCDHN COc1cccc([C@@H](C[NH2+]Cc2ccccc2[O-])N(C)C)c1 ZINC000020543002 182228944 /nfs/dbraw/zinc/22/89/44/182228944.db2.gz XUWMHNYVYIRVMU-QGZVFWFLSA-N 0 3 300.402 2.793 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(N3CCCC3=O)CC2)cc1C ZINC000104656548 194022730 /nfs/dbraw/zinc/02/27/30/194022730.db2.gz KTUCQSFAFNUWKK-UHFFFAOYSA-N 0 3 302.418 2.596 20 10 DFCDHN COCCN1CC[C@H]([NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000273361014 130110483 /nfs/dbraw/zinc/11/04/83/130110483.db2.gz AGZILJKSPPTKIP-PBHICJAKSA-N 0 3 318.461 2.642 20 10 DFCDHN COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000273438727 130121658 /nfs/dbraw/zinc/12/16/58/130121658.db2.gz MLFFAXBDCIFMNM-CXAGYDPISA-N 0 3 307.390 2.612 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOc2ncccc2F)c1 ZINC000273470886 130124925 /nfs/dbraw/zinc/12/49/25/130124925.db2.gz JTFLVYVIXOKFCV-LLVKDONJSA-N 0 3 306.337 2.665 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)c([O-])c1C ZINC000273586877 130139692 /nfs/dbraw/zinc/13/96/92/130139692.db2.gz NZOFFAMTEKOYJY-JYJNAYRXSA-N 0 3 306.450 2.769 20 10 DFCDHN C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccccc1[O-] ZINC000274681732 130253461 /nfs/dbraw/zinc/25/34/61/130253461.db2.gz RMCCLBYDNQIJKD-ZDUSSCGKSA-N 0 3 324.380 2.557 20 10 DFCDHN CCOCc1cc(CN[C@@H]2C[C@H](OCC)[C@@H]2OC)ccc1OC ZINC000274897469 130271957 /nfs/dbraw/zinc/27/19/57/130271957.db2.gz GBHGSDFHMIKJRI-BPQIPLTHSA-N 0 3 323.433 2.514 20 10 DFCDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000275550718 130334624 /nfs/dbraw/zinc/33/46/24/130334624.db2.gz NJNZHXAHVMAHPA-IRXDYDNUSA-N 0 3 314.433 2.589 20 10 DFCDHN [O-]c1cc2c(cc1C[NH+]1CCC3(CCOCC3)CC1)OCO2 ZINC000284454750 131082548 /nfs/dbraw/zinc/08/25/48/131082548.db2.gz QFLYQOSEZGUQPO-UHFFFAOYSA-N 0 3 305.374 2.514 20 10 DFCDHN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1ccc(N(C)C)cc1 ZINC000284734589 131107140 /nfs/dbraw/zinc/10/71/40/131107140.db2.gz UCIPOCYKFCSLKU-CEXWTWQISA-N 0 3 318.461 2.769 20 10 DFCDHN CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000285048673 131133858 /nfs/dbraw/zinc/13/38/58/131133858.db2.gz ILHCHGVTCLUFMO-UONOGXRCSA-N 0 3 306.406 2.890 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)c([O-])c1 ZINC000285098976 131137644 /nfs/dbraw/zinc/13/76/44/131137644.db2.gz KFHSVDWGNHNAOH-AWEZNQCLSA-N 0 3 300.402 2.867 20 10 DFCDHN COCC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCCCC1 ZINC000289507378 131391286 /nfs/dbraw/zinc/39/12/86/131391286.db2.gz HUTSDTCELFCYLL-UHFFFAOYSA-N 0 3 307.390 2.807 20 10 DFCDHN COc1ccc(CNCc2cc(C)c(C)cc2O)c(OC)n1 ZINC000289563368 131396356 /nfs/dbraw/zinc/39/63/56/131396356.db2.gz LFRDKMHMTIAAEP-UHFFFAOYSA-N 0 3 302.374 2.711 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)NCc1ccccc1 ZINC000297803639 132034997 /nfs/dbraw/zinc/03/49/97/132034997.db2.gz QLJOZKLQRICFIE-CZUORRHYSA-N 0 3 310.397 2.674 20 10 DFCDHN C[C@@H](C1CC1)N(CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000297852378 132037285 /nfs/dbraw/zinc/03/72/85/132037285.db2.gz LIGJNHGJMQQDFM-AWEZNQCLSA-N 0 3 315.461 2.632 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCCC2)c1 ZINC000273412819 292014168 /nfs/dbraw/zinc/01/41/68/292014168.db2.gz QDKFEJUBVBGEAW-AWEZNQCLSA-N 0 3 320.433 2.705 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000273613281 292014382 /nfs/dbraw/zinc/01/43/82/292014382.db2.gz WRASXZGMLBQQIV-QEJZJMRPSA-N 0 3 320.433 2.702 20 10 DFCDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN1C1CC1 ZINC000279606732 542985172 /nfs/dbraw/zinc/98/51/72/542985172.db2.gz WYHJVANJJOMSCY-GOSISDBHSA-N 0 3 313.445 2.530 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1 ZINC000155546906 425920729 /nfs/dbraw/zinc/92/07/29/425920729.db2.gz UBINNGPPOIZFGN-GOSISDBHSA-N 0 3 317.477 2.881 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@](C)(O)c2ccccc2)c1[O-] ZINC000114508112 426138594 /nfs/dbraw/zinc/13/85/94/426138594.db2.gz DZHVNMVEMMJVBW-SFHVURJKSA-N 0 3 301.386 2.788 20 10 DFCDHN CC(C)[C@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167858681 426133110 /nfs/dbraw/zinc/13/31/10/426133110.db2.gz UWQAKPYUHXSVIT-KRWDZBQOSA-N 0 3 303.450 2.522 20 10 DFCDHN Cc1cc(C(=O)NC2CCN(C)CC2)c(C)n1-c1ccccc1 ZINC000078472938 426171047 /nfs/dbraw/zinc/17/10/47/426171047.db2.gz WBRXDDBOORJRIU-UHFFFAOYSA-N 0 3 311.429 2.918 20 10 DFCDHN COc1cccc(CN(C)Cc2ccc3c(c2)OCO3)c1O ZINC000120063062 426306161 /nfs/dbraw/zinc/30/61/61/426306161.db2.gz LNTQGMMONMPKQM-UHFFFAOYSA-N 0 3 301.342 2.762 20 10 DFCDHN CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000122917804 426403139 /nfs/dbraw/zinc/40/31/39/426403139.db2.gz WIIJNVLHPBKPTJ-HNNXBMFYSA-N 0 3 315.417 2.997 20 10 DFCDHN CCc1nccn1[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000122917804 426403142 /nfs/dbraw/zinc/40/31/42/426403142.db2.gz WIIJNVLHPBKPTJ-HNNXBMFYSA-N 0 3 315.417 2.997 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000092662326 426351318 /nfs/dbraw/zinc/35/13/18/426351318.db2.gz RAQJSIXWPKDJCG-QGZVFWFLSA-N 0 3 305.418 2.861 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c([O-])c1 ZINC000093813903 426357636 /nfs/dbraw/zinc/35/76/36/426357636.db2.gz XUSKZFUTNNZYNC-QGZVFWFLSA-N 0 3 307.390 2.566 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@@](C)(C(=O)OC)C2)c([O-])c1 ZINC000093813903 426357638 /nfs/dbraw/zinc/35/76/38/426357638.db2.gz XUSKZFUTNNZYNC-QGZVFWFLSA-N 0 3 307.390 2.566 20 10 DFCDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccccc1[O-] ZINC000154017483 426420495 /nfs/dbraw/zinc/42/04/95/426420495.db2.gz RIUBBCGYKWNCQL-CYBMUJFWSA-N 0 3 314.385 2.941 20 10 DFCDHN COc1cccc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1O ZINC000154705609 426452326 /nfs/dbraw/zinc/45/23/26/426452326.db2.gz AUHRJELPZSDSEQ-NYHFZMIOSA-N 0 3 319.426 2.610 20 10 DFCDHN COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000186356138 426512953 /nfs/dbraw/zinc/51/29/53/426512953.db2.gz YXFLGFYTDVXIBY-ZBFHGGJFSA-N 0 3 322.449 2.529 20 10 DFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C12CCOCC2 ZINC000186455989 426530650 /nfs/dbraw/zinc/53/06/50/426530650.db2.gz NEVXNQJZOWDNPL-HZPDHXFCSA-N 0 3 309.381 2.595 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280119746 426502216 /nfs/dbraw/zinc/50/22/16/426502216.db2.gz OGJSFIYCBSROPM-SJLPKXTDSA-N 0 3 319.493 2.625 20 10 DFCDHN CS[C@H](CO)[C@@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000219069447 426570052 /nfs/dbraw/zinc/57/00/52/426570052.db2.gz OCVJJOWECVLJIR-RHSMWYFYSA-N 0 3 308.491 2.879 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccccc2)c1[O-] ZINC000228669448 426634981 /nfs/dbraw/zinc/63/49/81/426634981.db2.gz KJSUQMKZIJAJNE-AWEZNQCLSA-N 0 3 307.777 2.877 20 10 DFCDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CCO)c1[O-] ZINC000187227253 426640192 /nfs/dbraw/zinc/64/01/92/426640192.db2.gz MBFGIFMBRAXOKH-ZJUUUORDSA-N 0 3 302.212 2.885 20 10 DFCDHN CC[C@H](C[NH2+]Cc1cc(F)ccc1[O-])NC(=O)OC(C)(C)C ZINC000234019164 426656477 /nfs/dbraw/zinc/65/64/77/426656477.db2.gz BCURYCZLPBXDLY-CYBMUJFWSA-N 0 3 312.385 2.924 20 10 DFCDHN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000289969691 426677777 /nfs/dbraw/zinc/67/77/77/426677777.db2.gz ZIRNOTWUHACPAG-INIZCTEOSA-N 0 3 304.434 2.890 20 10 DFCDHN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000289969691 426677780 /nfs/dbraw/zinc/67/77/80/426677780.db2.gz ZIRNOTWUHACPAG-INIZCTEOSA-N 0 3 304.434 2.890 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1OC ZINC000281259261 426708846 /nfs/dbraw/zinc/70/88/46/426708846.db2.gz XWFKMWBWHYSBTR-SNVBAGLBSA-N 0 3 301.333 2.934 20 10 DFCDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(O)c1 ZINC000178869368 426710182 /nfs/dbraw/zinc/71/01/82/426710182.db2.gz NTHPOQJEDJKMPV-UHFFFAOYSA-N 0 3 312.413 2.861 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000245849659 426776889 /nfs/dbraw/zinc/77/68/89/426776889.db2.gz MDGYXWIPFAVWBB-XYJFISCASA-N 0 3 318.461 2.774 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000245849659 426776895 /nfs/dbraw/zinc/77/68/95/426776895.db2.gz MDGYXWIPFAVWBB-XYJFISCASA-N 0 3 318.461 2.774 20 10 DFCDHN CN(C[C@H](O)CSc1ncc(-c2ccccc2)n1C)C1CC1 ZINC000290501197 426779404 /nfs/dbraw/zinc/77/94/04/426779404.db2.gz ASNGVZVTKNBZAT-HNNXBMFYSA-N 0 3 317.458 2.634 20 10 DFCDHN CCN(C)C(=O)[C@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000188474370 426756043 /nfs/dbraw/zinc/75/60/43/426756043.db2.gz QTNSEBOEHQKJKU-HNNXBMFYSA-N 0 3 303.450 2.633 20 10 DFCDHN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000179562601 426801423 /nfs/dbraw/zinc/80/14/23/426801423.db2.gz GDCMTJXQQSKLAE-GOEBONIOSA-N 0 3 304.434 2.909 20 10 DFCDHN CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000179562601 426801429 /nfs/dbraw/zinc/80/14/29/426801429.db2.gz GDCMTJXQQSKLAE-GOEBONIOSA-N 0 3 304.434 2.909 20 10 DFCDHN CCOc1ccc(O)c(CN2CC[C@H](n3cc(C)cn3)C2)c1 ZINC000290799899 426840559 /nfs/dbraw/zinc/84/05/59/426840559.db2.gz FFCVLFXEJRYZCK-HNNXBMFYSA-N 0 3 301.390 2.743 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c1 ZINC000290799899 426840563 /nfs/dbraw/zinc/84/05/63/426840563.db2.gz FFCVLFXEJRYZCK-HNNXBMFYSA-N 0 3 301.390 2.743 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c1 ZINC000290799899 426840569 /nfs/dbraw/zinc/84/05/69/426840569.db2.gz FFCVLFXEJRYZCK-HNNXBMFYSA-N 0 3 301.390 2.743 20 10 DFCDHN COc1ccc(O)c(CN[C@]2(CO)CCCc3ccccc32)c1 ZINC000282466006 426915625 /nfs/dbraw/zinc/91/56/25/426915625.db2.gz VYACLCLKLPHNIR-IBGZPJMESA-N 0 3 313.397 2.715 20 10 DFCDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)NCCF ZINC000282650470 426922827 /nfs/dbraw/zinc/92/28/27/426922827.db2.gz LBFWLNWOSKABCZ-CYBMUJFWSA-N 0 3 316.376 2.623 20 10 DFCDHN C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282432643 426911205 /nfs/dbraw/zinc/91/12/05/426911205.db2.gz RJNSIGQXLGUMOO-GUYCJALGSA-N 0 3 310.397 2.816 20 10 DFCDHN CCN(CC)c1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000276767384 427117986 /nfs/dbraw/zinc/11/79/86/427117986.db2.gz HTWAPFUHYWIAFB-GOSISDBHSA-N 0 3 315.461 2.730 20 10 DFCDHN CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])CN1CCCC1 ZINC000276682588 427118252 /nfs/dbraw/zinc/11/82/52/427118252.db2.gz IICGZNHBXUCGRH-UHFFFAOYSA-N 0 3 307.394 2.512 20 10 DFCDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCCC1 ZINC000276682588 427118257 /nfs/dbraw/zinc/11/82/57/427118257.db2.gz IICGZNHBXUCGRH-UHFFFAOYSA-N 0 3 307.394 2.512 20 10 DFCDHN C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000268834860 427135590 /nfs/dbraw/zinc/13/55/90/427135590.db2.gz NCCJTDDGAQQFBM-ZBFHGGJFSA-N 0 3 301.434 2.558 20 10 DFCDHN CO[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@@H]1OC ZINC000277108261 427136086 /nfs/dbraw/zinc/13/60/86/427136086.db2.gz HSVGXXUHAUALMS-HDICACEKSA-N 0 3 304.434 2.523 20 10 DFCDHN CC[C@H](COC)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268881150 427139937 /nfs/dbraw/zinc/13/99/37/427139937.db2.gz RMXHMRXPGJLDBX-IJEWVQPXSA-N 0 3 324.440 2.954 20 10 DFCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCC(F)(F)F ZINC000292554823 427192567 /nfs/dbraw/zinc/19/25/67/427192567.db2.gz HPVPPOCFLYBULT-ZDUSSCGKSA-N 0 3 321.339 2.544 20 10 DFCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COCC(F)(F)F ZINC000292554823 427192573 /nfs/dbraw/zinc/19/25/73/427192573.db2.gz HPVPPOCFLYBULT-ZDUSSCGKSA-N 0 3 321.339 2.544 20 10 DFCDHN CC(C)(C[C@H]1CCC[N@@H+]([C@H]2CCc3cccc([O-])c32)C1)C(N)=O ZINC000296558666 427225368 /nfs/dbraw/zinc/22/53/68/427225368.db2.gz SCACMESTGRIGPE-HIFRSBDPSA-N 0 3 316.445 2.993 20 10 DFCDHN CC(C)(C[C@H]1CCC[N@H+]([C@H]2CCc3cccc([O-])c32)C1)C(N)=O ZINC000296558666 427225375 /nfs/dbraw/zinc/22/53/75/427225375.db2.gz SCACMESTGRIGPE-HIFRSBDPSA-N 0 3 316.445 2.993 20 10 DFCDHN COc1cc(O)c(CN(C)[C@H](C)c2ccncc2)cc1OC ZINC000183706893 427326073 /nfs/dbraw/zinc/32/60/73/427326073.db2.gz HDBCZMWVSVILQX-GFCCVEGCSA-N 0 3 302.374 2.997 20 10 DFCDHN CCCNC(=O)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293508065 427346368 /nfs/dbraw/zinc/34/63/68/427346368.db2.gz OCOHASJGGSCERJ-UHFFFAOYSA-N 0 3 317.477 2.799 20 10 DFCDHN CN(C)c1ccc(CN[C@H](CO)Cc2ccc(F)cc2)cc1F ZINC000271233543 427462494 /nfs/dbraw/zinc/46/24/94/427462494.db2.gz RDLGBGOHZQFESO-INIZCTEOSA-N 0 3 320.383 2.724 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278306537 427426500 /nfs/dbraw/zinc/42/65/00/427426500.db2.gz DUWSBRSBHXQRKD-HZMBPMFUSA-N 0 3 319.323 2.536 20 10 DFCDHN CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000293754140 427427510 /nfs/dbraw/zinc/42/75/10/427427510.db2.gz QQBWSURCROVUAY-CABCVRRESA-N 0 3 305.466 2.956 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)c2ccco2)c1[O-] ZINC000184709610 427523993 /nfs/dbraw/zinc/52/39/93/427523993.db2.gz APYFMYJBHUTJJI-HNNXBMFYSA-N 0 3 311.765 2.645 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000192842037 427620940 /nfs/dbraw/zinc/62/09/40/427620940.db2.gz KGGMGFYWPCGIHB-CYBMUJFWSA-N 0 3 320.433 2.698 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000192843203 427621973 /nfs/dbraw/zinc/62/19/73/427621973.db2.gz GQQLLAHWAXLEHI-AWEZNQCLSA-N 0 3 304.434 2.998 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)c([O-])c1 ZINC000184955854 427568450 /nfs/dbraw/zinc/56/84/50/427568450.db2.gz XGISRQRIMXEQCE-CQSZACIVSA-N 0 3 314.433 2.912 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc2c(cc1[O-])CCCC2 ZINC000184982257 427572656 /nfs/dbraw/zinc/57/26/56/427572656.db2.gz SIUMLFOMODFIBR-MLGOLLRUSA-N 0 3 302.418 2.590 20 10 DFCDHN CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185014495 427577301 /nfs/dbraw/zinc/57/73/01/427577301.db2.gz BPSVCDFFYVYZTJ-OAHLLOKOSA-N 0 3 323.456 2.600 20 10 DFCDHN C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185028837 427579438 /nfs/dbraw/zinc/57/94/38/427579438.db2.gz AJNNHFRQZSZXMK-CABCVRRESA-N 0 3 318.461 2.642 20 10 DFCDHN COc1ccccc1CN(CCO)Cc1cccc(C)c1O ZINC000271725152 427583836 /nfs/dbraw/zinc/58/38/36/427583836.db2.gz LHBNCSZPRYJVHF-UHFFFAOYSA-N 0 3 301.386 2.704 20 10 DFCDHN CC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1O ZINC000271776697 427586457 /nfs/dbraw/zinc/58/64/57/427586457.db2.gz DKVDWOFRNQQHRF-MFKMUULPSA-N 0 3 314.223 2.666 20 10 DFCDHN CC[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@@H]1O ZINC000271776697 427586466 /nfs/dbraw/zinc/58/64/66/427586466.db2.gz DKVDWOFRNQQHRF-MFKMUULPSA-N 0 3 314.223 2.666 20 10 DFCDHN Cc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1[O-] ZINC000271826443 427589795 /nfs/dbraw/zinc/58/97/95/427589795.db2.gz NXTATDMCSKPHFC-KRWDZBQOSA-N 0 3 307.340 2.976 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000271853981 427591103 /nfs/dbraw/zinc/59/11/03/427591103.db2.gz RYDODBFDEWFDBK-DZGCQCFKSA-N 0 3 301.386 2.655 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)c1 ZINC000185097731 427595101 /nfs/dbraw/zinc/59/51/01/427595101.db2.gz OOSIRJQFDGPZKR-YVEFUNNKSA-N 0 3 317.385 2.794 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)c1 ZINC000185099961 427597196 /nfs/dbraw/zinc/59/71/96/427597196.db2.gz JFNJRJKWCSIOOP-CYBMUJFWSA-N 0 3 316.376 2.920 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2ccc3c(c2)OCO3)c1 ZINC000192918413 427635151 /nfs/dbraw/zinc/63/51/51/427635151.db2.gz HDZKZSNXHAJGLN-NSHDSACASA-N 0 3 301.342 2.980 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000192918413 427635159 /nfs/dbraw/zinc/63/51/59/427635159.db2.gz HDZKZSNXHAJGLN-NSHDSACASA-N 0 3 301.342 2.980 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c([O-])c1 ZINC000279793242 427717075 /nfs/dbraw/zinc/71/70/75/427717075.db2.gz MNPYWBYVTWWJBC-OAHLLOKOSA-N 0 3 320.433 2.529 20 10 DFCDHN C[C@@H]1OCC[C@]12CN(Cc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000279734272 427717372 /nfs/dbraw/zinc/71/73/72/427717372.db2.gz JXMUTKDESBUZLT-VKJFTORMSA-N 0 3 304.434 2.521 20 10 DFCDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCN1C ZINC000299522145 427767229 /nfs/dbraw/zinc/76/72/29/427767229.db2.gz LNNUYZDBDUXOOZ-GOSISDBHSA-N 0 3 315.461 2.730 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc2c(cc1[O-])CCCC2 ZINC000185994128 427739597 /nfs/dbraw/zinc/73/95/97/427739597.db2.gz HAGDACWQMRWJPI-SWLSCSKDSA-N 0 3 312.417 2.528 20 10 DFCDHN CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000371381295 428386095 /nfs/dbraw/zinc/38/60/95/428386095.db2.gz DGOUHSTVMWGXKS-CQSZACIVSA-N 0 3 300.406 2.692 20 10 DFCDHN CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000371381295 428386100 /nfs/dbraw/zinc/38/61/00/428386100.db2.gz DGOUHSTVMWGXKS-CQSZACIVSA-N 0 3 300.406 2.692 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000372082278 428415075 /nfs/dbraw/zinc/41/50/75/428415075.db2.gz ZFXWAEWYSARCGG-SJORKVTESA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000372082278 428415082 /nfs/dbraw/zinc/41/50/82/428415082.db2.gz ZFXWAEWYSARCGG-SJORKVTESA-N 0 3 302.418 2.676 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[C@@H]([NH+](C)C)CC2)c1[O-] ZINC000372969826 428508826 /nfs/dbraw/zinc/50/88/26/428508826.db2.gz OPAOPRBXRWZCMO-CQSZACIVSA-N 0 3 312.841 2.970 20 10 DFCDHN C[C@H]1CC2(CCC2)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000373017611 428512792 /nfs/dbraw/zinc/51/27/92/428512792.db2.gz DLLHVKRAOODLDH-HNNXBMFYSA-N 0 3 315.461 2.633 20 10 DFCDHN CC[C@@H]1CN(Cc2cccc(OC)c2O)C[C@@]2(CCCOC2)O1 ZINC000373464309 428584282 /nfs/dbraw/zinc/58/42/82/428584282.db2.gz DSUWAQJSDDNREQ-CRAIPNDOSA-N 0 3 321.417 2.561 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@@H](CC)O[C@]3(CCOC3)C2)c1 ZINC000373484348 428587152 /nfs/dbraw/zinc/58/71/52/428587152.db2.gz XLDISHDFOGNBEB-CRAIPNDOSA-N 0 3 321.417 2.561 20 10 DFCDHN Oc1cc2c(cc1CN1CC[C@H](Oc3ccccc3)C1)OCO2 ZINC000361524283 428573893 /nfs/dbraw/zinc/57/38/93/428573893.db2.gz BXGIAAFKQSWMKV-HNNXBMFYSA-N 0 3 313.353 2.774 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccccc3)C1)OCO2 ZINC000361524283 428573899 /nfs/dbraw/zinc/57/38/99/428573899.db2.gz BXGIAAFKQSWMKV-HNNXBMFYSA-N 0 3 313.353 2.774 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccccc3)C1)OCO2 ZINC000361524283 428573904 /nfs/dbraw/zinc/57/39/04/428573904.db2.gz BXGIAAFKQSWMKV-HNNXBMFYSA-N 0 3 313.353 2.774 20 10 DFCDHN CCc1nnc2n1C[C@H]([NH2+][C@H](CC)c1ccc(C)cc1[O-])CC2 ZINC000373848188 428651683 /nfs/dbraw/zinc/65/16/83/428651683.db2.gz BELKQKDXMVUIKI-UKRRQHHQSA-N 0 3 314.433 2.910 20 10 DFCDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000374156544 428666683 /nfs/dbraw/zinc/66/66/83/428666683.db2.gz HGBGRBLTMQMZOT-RCCFBDPRSA-N 0 3 322.408 2.639 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1[O-] ZINC000362621277 428794544 /nfs/dbraw/zinc/79/45/44/428794544.db2.gz IPPWTDWVICMAEV-AWEZNQCLSA-N 0 3 313.401 2.961 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1[O-] ZINC000362621277 428794548 /nfs/dbraw/zinc/79/45/48/428794548.db2.gz IPPWTDWVICMAEV-AWEZNQCLSA-N 0 3 313.401 2.961 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cc1C ZINC000362613561 428795232 /nfs/dbraw/zinc/79/52/32/428795232.db2.gz CHAZWBRMGPFUHN-BMFZPTHFSA-N 0 3 302.418 2.627 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cc1C ZINC000362613561 428795236 /nfs/dbraw/zinc/79/52/36/428795236.db2.gz CHAZWBRMGPFUHN-BMFZPTHFSA-N 0 3 302.418 2.627 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCCN(c3cncc(F)c3)CC2)c1[O-] ZINC000364291248 429176575 /nfs/dbraw/zinc/17/65/75/429176575.db2.gz OXRZNAOGVJBYPD-UHFFFAOYSA-N 0 3 315.392 2.947 20 10 DFCDHN Cc1cccc(C[N@H+]2CCCN(c3cncc(F)c3)CC2)c1[O-] ZINC000364291248 429176578 /nfs/dbraw/zinc/17/65/78/429176578.db2.gz OXRZNAOGVJBYPD-UHFFFAOYSA-N 0 3 315.392 2.947 20 10 DFCDHN Cc1ccc(/C=C/C(=O)N(CCN(C)C)c2ccccc2)cn1 ZINC000492511320 429554256 /nfs/dbraw/zinc/55/42/56/429554256.db2.gz XNKLRZBKUUKJAA-VAWYXSNFSA-N 0 3 309.413 2.998 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1[O-] ZINC000367039831 429564543 /nfs/dbraw/zinc/56/45/43/429564543.db2.gz AUIJWWMBFHMBKP-RDJZCZTQSA-N 0 3 324.424 2.886 20 10 DFCDHN CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C12CCOCC2 ZINC000296459094 276347780 /nfs/dbraw/zinc/34/77/80/276347780.db2.gz NSOLWTRELUZFJD-USXIJHARSA-N 0 3 317.429 2.943 20 10 DFCDHN CCOc1cccc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280506427 276380190 /nfs/dbraw/zinc/38/01/90/276380190.db2.gz PZJXLFHYURFXQS-CQSZACIVSA-N 0 3 321.417 2.561 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC000368795289 429894145 /nfs/dbraw/zinc/89/41/45/429894145.db2.gz FBTBXKRMRIOAKE-KBAYOESNSA-N 0 3 318.461 2.886 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC000368795289 429894147 /nfs/dbraw/zinc/89/41/47/429894147.db2.gz FBTBXKRMRIOAKE-KBAYOESNSA-N 0 3 318.461 2.886 20 10 DFCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)cc1C ZINC000369082049 429911684 /nfs/dbraw/zinc/91/16/84/429911684.db2.gz DDXVTVAWGNKPLQ-MAUKXSAKSA-N 0 3 305.418 2.779 20 10 DFCDHN Cc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000529675798 430050623 /nfs/dbraw/zinc/05/06/23/430050623.db2.gz JMHWADBGEPCPKX-LAPQFRIASA-N 0 3 313.850 2.839 20 10 DFCDHN COc1cc([O-])c(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1OC ZINC000368246126 277833514 /nfs/dbraw/zinc/83/35/14/277833514.db2.gz RNNKMMMPXMYUQV-CQSZACIVSA-N 0 3 321.417 2.658 20 10 DFCDHN C[C@@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1[O-] ZINC000183620903 278336166 /nfs/dbraw/zinc/33/61/66/278336166.db2.gz AIOTVDYEOPKIFP-BJZITVGISA-N 0 3 318.461 2.811 20 10 DFCDHN C[C@H](C[S@@](C)=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280444470 279374558 /nfs/dbraw/zinc/37/45/58/279374558.db2.gz YKECCDWWBFJDOC-LADRHHBVSA-N 0 3 322.396 2.628 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000365653577 281025418 /nfs/dbraw/zinc/02/54/18/281025418.db2.gz LZJMVVSJJPQENN-DJIMGWMZSA-N 0 3 304.434 2.638 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000365653577 281025420 /nfs/dbraw/zinc/02/54/20/281025420.db2.gz LZJMVVSJJPQENN-DJIMGWMZSA-N 0 3 304.434 2.638 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000092506839 332127432 /nfs/dbraw/zinc/12/74/32/332127432.db2.gz RWCNWLAOPBQXFP-JZXOWHBKSA-N 0 3 318.461 2.774 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000092506839 332127433 /nfs/dbraw/zinc/12/74/33/332127433.db2.gz RWCNWLAOPBQXFP-JZXOWHBKSA-N 0 3 318.461 2.774 20 10 DFCDHN C[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000132859728 332135032 /nfs/dbraw/zinc/13/50/32/332135032.db2.gz DHKXUIZUUZGJQX-CYBMUJFWSA-N 0 3 307.438 2.928 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(CN2CCOCC2)CC1 ZINC000363687267 332221685 /nfs/dbraw/zinc/22/16/85/332221685.db2.gz NRZOSFJEBKPNIT-SFHVURJKSA-N 0 3 318.461 2.888 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000293945760 335116251 /nfs/dbraw/zinc/11/62/51/335116251.db2.gz OQMBSUSUZAYROY-CQSZACIVSA-N 0 3 311.809 2.934 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000293945760 335116253 /nfs/dbraw/zinc/11/62/53/335116253.db2.gz OQMBSUSUZAYROY-CQSZACIVSA-N 0 3 311.809 2.934 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000180623925 333029107 /nfs/dbraw/zinc/02/91/07/333029107.db2.gz LMSQEMYIPZQMNL-LLVKDONJSA-N 0 3 314.223 2.931 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000180623925 333029109 /nfs/dbraw/zinc/02/91/09/333029109.db2.gz LMSQEMYIPZQMNL-LLVKDONJSA-N 0 3 314.223 2.931 20 10 DFCDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000296193798 335140195 /nfs/dbraw/zinc/14/01/95/335140195.db2.gz YPKGYRSKOVVVLN-JTQLQIEISA-N 0 3 316.313 2.880 20 10 DFCDHN COC1CCN(c2ccc(CN3CCC(C)(O)CC3)cc2)CC1 ZINC000296890075 335149598 /nfs/dbraw/zinc/14/95/98/335149598.db2.gz XXVGXKIXIXAJNB-UHFFFAOYSA-N 0 3 318.461 2.649 20 10 DFCDHN CCOC1(C[NH2+]Cc2cc(OC)c(OC)cc2[O-])CCCC1 ZINC000293685771 334200884 /nfs/dbraw/zinc/20/08/84/334200884.db2.gz QEMCMFQKCHGFST-UHFFFAOYSA-N 0 3 309.406 2.848 20 10 DFCDHN CCCN(CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000299649875 334256885 /nfs/dbraw/zinc/25/68/85/334256885.db2.gz OJTJVNLOFZDVAF-UHFFFAOYSA-N 0 3 318.442 2.982 20 10 DFCDHN Cc1cc(O)c(CN[C@]2(CO)CCOc3ccccc32)cc1C ZINC000366899197 335325881 /nfs/dbraw/zinc/32/58/81/335325881.db2.gz BJIGYOCXFFPMCH-IBGZPJMESA-N 0 3 313.397 2.769 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000192914416 336284134 /nfs/dbraw/zinc/28/41/34/336284134.db2.gz MZRADFYJQUFRJE-WFASDCNBSA-N 0 3 304.390 2.947 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3nc(C)cn3C2)c1 ZINC000368314862 336842305 /nfs/dbraw/zinc/84/23/05/336842305.db2.gz GGASTCRUIOKWKH-QWHCGFSZSA-N 0 3 301.390 2.571 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c([O-])c1C ZINC000369901162 336873961 /nfs/dbraw/zinc/87/39/61/336873961.db2.gz FJASDIQPMCSMLK-HDMKZQKVSA-N 0 3 305.418 2.998 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2N2CCOCC2)c1 ZINC000371868794 336915205 /nfs/dbraw/zinc/91/52/05/336915205.db2.gz CCNGNPCDWIPUKO-BQFCYCMXSA-N 0 3 318.461 2.852 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c([O-])c1C ZINC000371877217 336915514 /nfs/dbraw/zinc/91/55/14/336915514.db2.gz UBKIBIQBQAVBKZ-GJZGRUSLSA-N 0 3 314.433 2.672 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccncn3)C2)c([O-])c1 ZINC000376310082 337031150 /nfs/dbraw/zinc/03/11/50/337031150.db2.gz XPCWPOLFCFIYJQ-GJZGRUSLSA-N 0 3 312.417 2.810 20 10 DFCDHN CC[C@H]1CN(Cc2cc(C)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000376444908 337033561 /nfs/dbraw/zinc/03/35/61/337033561.db2.gz XTFYKUJZIMSUMB-FUHWJXTLSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000376444908 337033562 /nfs/dbraw/zinc/03/35/62/337033562.db2.gz XTFYKUJZIMSUMB-FUHWJXTLSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000376444908 337033563 /nfs/dbraw/zinc/03/35/63/337033563.db2.gz XTFYKUJZIMSUMB-FUHWJXTLSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCCC[C@H]3CO2)c([O-])c1 ZINC000376894159 337043375 /nfs/dbraw/zinc/04/33/75/337043375.db2.gz RORXJHWZLGRMGA-JYJNAYRXSA-N 0 3 304.434 2.605 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)C[C@@H]2CCc3nccn3C2)c1 ZINC000377687669 337058376 /nfs/dbraw/zinc/05/83/76/337058376.db2.gz ALVGWGXUTZDZCW-KGLIPLIRSA-N 0 3 315.417 2.853 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)C[C@@H]2CCc3nccn3C2)c1 ZINC000377687669 337058377 /nfs/dbraw/zinc/05/83/77/337058377.db2.gz ALVGWGXUTZDZCW-KGLIPLIRSA-N 0 3 315.417 2.853 20 10 DFCDHN CC[C@@H]1CN([C@@H](C)c2cc(OC)ccc2O)C[C@]2(CCOC2)O1 ZINC000377699870 337058979 /nfs/dbraw/zinc/05/89/79/337058979.db2.gz QREQMFZYWZTCDJ-IYOUNJFTSA-N 0 3 321.417 2.732 20 10 DFCDHN CC[C@@H]1CN([C@@H](C)c2cc(OC)ccc2O)C[C@@]2(CCOC2)O1 ZINC000377699874 337059046 /nfs/dbraw/zinc/05/90/46/337059046.db2.gz QREQMFZYWZTCDJ-PMUMKWKESA-N 0 3 321.417 2.732 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000377890308 337063518 /nfs/dbraw/zinc/06/35/18/337063518.db2.gz UHOAJCVYECQBEK-STQMWFEESA-N 0 3 301.390 2.685 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000377890308 337063519 /nfs/dbraw/zinc/06/35/19/337063519.db2.gz UHOAJCVYECQBEK-STQMWFEESA-N 0 3 301.390 2.685 20 10 DFCDHN CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2[O-])C[C@H]1N1CCOCC1 ZINC000378340890 337070269 /nfs/dbraw/zinc/07/02/69/337070269.db2.gz IXQPJAHJJQVUGG-SJLPKXTDSA-N 0 3 318.461 2.552 20 10 DFCDHN CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2[O-])C[C@H]1N1CCOCC1 ZINC000378340890 337070270 /nfs/dbraw/zinc/07/02/70/337070270.db2.gz IXQPJAHJJQVUGG-SJLPKXTDSA-N 0 3 318.461 2.552 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC23CCC(CO)CC3)c1 ZINC000378442035 337072854 /nfs/dbraw/zinc/07/28/54/337072854.db2.gz BWHYXFJFVMIKBK-UHFFFAOYSA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC23CCC(CO)CC3)c1 ZINC000378442035 337072855 /nfs/dbraw/zinc/07/28/55/337072855.db2.gz BWHYXFJFVMIKBK-UHFFFAOYSA-N 0 3 305.418 2.918 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000378493431 337074312 /nfs/dbraw/zinc/07/43/12/337074312.db2.gz IYNUCAJKDPBOMK-UHFFFAOYSA-N 0 3 309.381 2.691 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c([O-])c1 ZINC000179468961 337169655 /nfs/dbraw/zinc/16/96/55/337169655.db2.gz VRENELJFBABITI-HNNXBMFYSA-N 0 3 316.405 2.610 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c([O-])c1 ZINC000179468961 337169656 /nfs/dbraw/zinc/16/96/56/337169656.db2.gz VRENELJFBABITI-HNNXBMFYSA-N 0 3 316.405 2.610 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000184807280 337200324 /nfs/dbraw/zinc/20/03/24/337200324.db2.gz IDLLZKYFARBPSD-UHFFFAOYSA-N 0 3 301.365 2.639 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000184807280 337200325 /nfs/dbraw/zinc/20/03/25/337200325.db2.gz IDLLZKYFARBPSD-UHFFFAOYSA-N 0 3 301.365 2.639 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2cccnc2-n2ccnc2)c1 ZINC000184989439 337202289 /nfs/dbraw/zinc/20/22/89/337202289.db2.gz BXXFWPMXQQWRLU-CYBMUJFWSA-N 0 3 324.384 2.832 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000184989439 337202290 /nfs/dbraw/zinc/20/22/90/337202290.db2.gz BXXFWPMXQQWRLU-CYBMUJFWSA-N 0 3 324.384 2.832 20 10 DFCDHN CCN1CC[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])C1 ZINC000227438173 337205183 /nfs/dbraw/zinc/20/51/83/337205183.db2.gz CKZVFPFHLBDKRM-LLVKDONJSA-N 0 3 313.239 2.586 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)c([O-])c1 ZINC000185553051 337249091 /nfs/dbraw/zinc/24/90/91/337249091.db2.gz RJNZIYCHAYJKQU-CABCVRRESA-N 0 3 314.433 2.754 20 10 DFCDHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])CC2 ZINC000185995100 337252543 /nfs/dbraw/zinc/25/25/43/337252543.db2.gz VJUQVYCJZIXISJ-STQMWFEESA-N 0 3 300.406 2.520 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCN1C1CCCCC1)OCO2 ZINC000527750309 337761402 /nfs/dbraw/zinc/76/14/02/337761402.db2.gz APEPSHIURFNRBG-OAHLLOKOSA-N 0 3 318.417 2.618 20 10 DFCDHN CCOCc1cc(CN[C@]23C[C@H]2COC3(C)C)ccc1OC ZINC000527767428 337762228 /nfs/dbraw/zinc/76/22/28/337762228.db2.gz UZDQSYCFUHDMOK-MAUKXSAKSA-N 0 3 305.418 2.889 20 10 DFCDHN CC(C)([NH2+]Cc1ccccc1[O-])C(=O)NCC1CCCCC1 ZINC000129494219 519324982 /nfs/dbraw/zinc/32/49/82/519324982.db2.gz BYBWPWWRRXZLNT-UHFFFAOYSA-N 0 3 304.434 2.957 20 10 DFCDHN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180016572 519503079 /nfs/dbraw/zinc/50/30/79/519503079.db2.gz VRWLDOIIASQREJ-ZDUSSCGKSA-N 0 3 308.397 2.516 20 10 DFCDHN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180016572 519503086 /nfs/dbraw/zinc/50/30/86/519503086.db2.gz VRWLDOIIASQREJ-ZDUSSCGKSA-N 0 3 308.397 2.516 20 10 DFCDHN CCCOc1ccc(C[NH+]2CCC(C3OCCO3)CC2)c([O-])c1 ZINC000130104743 520347330 /nfs/dbraw/zinc/34/73/30/520347330.db2.gz FOCBQVOQBQHLKL-UHFFFAOYSA-N 0 3 321.417 2.766 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2[O-])C12CCOCC2 ZINC000185658888 520427645 /nfs/dbraw/zinc/42/76/45/520427645.db2.gz SVBRDEUHAGGOLJ-DLBZAZTESA-N 0 3 305.418 2.764 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000265888619 521150375 /nfs/dbraw/zinc/15/03/75/521150375.db2.gz QNJIUNORUKWJHF-MRXNPFEDSA-N 0 3 307.415 2.850 20 10 DFCDHN CN(c1ccc(CNC(=O)C2(N)CC2)cc1)C1CCCCC1 ZINC000237054367 523637017 /nfs/dbraw/zinc/63/70/17/523637017.db2.gz WDRGQBITVXYLTQ-UHFFFAOYSA-N 0 3 301.434 2.563 20 10 DFCDHN CC[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N(C)C ZINC000124613118 523754191 /nfs/dbraw/zinc/75/41/91/523754191.db2.gz AQZIESSXBQMRSU-GOSISDBHSA-N 0 3 317.477 2.976 20 10 DFCDHN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)c(C)cc1[O-])CC2 ZINC000265099293 523945853 /nfs/dbraw/zinc/94/58/53/523945853.db2.gz XFEUQYWEUQFFDD-OAHLLOKOSA-N 0 3 303.402 2.784 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(N(C)c3cccnn3)CC2)c1[O-] ZINC000180080038 524387867 /nfs/dbraw/zinc/38/78/67/524387867.db2.gz JONATAWUZGNHAP-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000179878091 524763946 /nfs/dbraw/zinc/76/39/46/524763946.db2.gz WURNXSCQCIBBCS-HUUCEWRRSA-N 0 3 301.386 2.791 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C3OCCO3)CC2)c1[O-] ZINC000180011550 524861381 /nfs/dbraw/zinc/86/13/81/524861381.db2.gz WRWHTPJOMXBNEW-UHFFFAOYSA-N 0 3 311.809 2.939 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000371515298 524872460 /nfs/dbraw/zinc/87/24/60/524872460.db2.gz VCLGFSOLQCAIQR-ZBFHGGJFSA-N 0 3 311.809 2.782 20 10 DFCDHN C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(N2CCCCC2)cc1 ZINC000180491681 525506047 /nfs/dbraw/zinc/50/60/47/525506047.db2.gz LWXUJLQTOJDOTQ-APWZRJJASA-N 0 3 317.477 2.658 20 10 DFCDHN C[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000189004994 525589608 /nfs/dbraw/zinc/58/96/08/525589608.db2.gz NCVRAUIXXNVARH-KGLIPLIRSA-N 0 3 321.440 2.943 20 10 DFCDHN C[C@@](O)(CNCc1ccc2c(c1)CCO2)c1ccc(F)cc1F ZINC000265171978 525776712 /nfs/dbraw/zinc/77/67/12/525776712.db2.gz USPNWFMMLMFQNC-GOSISDBHSA-N 0 3 319.351 2.897 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000180129402 525942671 /nfs/dbraw/zinc/94/26/71/525942671.db2.gz LFWJMFDFTUPRCM-HNNXBMFYSA-N 0 3 301.390 2.570 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1[O-] ZINC000180129402 525942678 /nfs/dbraw/zinc/94/26/78/525942678.db2.gz LFWJMFDFTUPRCM-HNNXBMFYSA-N 0 3 301.390 2.570 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1[O-] ZINC000266149744 526020434 /nfs/dbraw/zinc/02/04/34/526020434.db2.gz KBXJMHLXGBQXRM-QGZVFWFLSA-N 0 3 305.374 2.608 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]CCOCC(F)F)c1[O-] ZINC000189003883 526156982 /nfs/dbraw/zinc/15/69/82/526156982.db2.gz GMLCSJXWDXYNGV-UHFFFAOYSA-N 0 3 324.165 2.834 20 10 DFCDHN O=C1CCCCN1CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180177399 526970725 /nfs/dbraw/zinc/97/07/25/526970725.db2.gz VIVLANXOIIPDPW-UHFFFAOYSA-N 0 3 320.408 2.756 20 10 DFCDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000273391977 536792727 /nfs/dbraw/zinc/79/27/27/536792727.db2.gz LAJQLBRXPJCBLC-KGLIPLIRSA-N 0 3 320.433 2.561 20 10 DFCDHN Cc1cc(C)c(O)c(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826263487 607845616 /nfs/dbraw/zinc/84/56/16/607845616.db2.gz DGIGBFVPYYDRCP-UHFFFAOYSA-N 0 3 323.400 2.821 20 10 DFCDHN Cc1cc(C)c(O)c(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826263487 607845617 /nfs/dbraw/zinc/84/56/17/607845617.db2.gz DGIGBFVPYYDRCP-UHFFFAOYSA-N 0 3 323.400 2.821 20 10 DFCDHN Cc1cc(C)c(O)c(C[N@H+](C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826263487 607845618 /nfs/dbraw/zinc/84/56/18/607845618.db2.gz DGIGBFVPYYDRCP-UHFFFAOYSA-N 0 3 323.400 2.821 20 10 DFCDHN Cc1cc(C)c(O)c(C[N@@H+](C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826263487 607845619 /nfs/dbraw/zinc/84/56/19/607845619.db2.gz DGIGBFVPYYDRCP-UHFFFAOYSA-N 0 3 323.400 2.821 20 10 DFCDHN CC[C@H](NCC1(CS(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000090183230 185286116 /nfs/dbraw/zinc/28/61/16/185286116.db2.gz ZLIRVROQQVHMOO-INIZCTEOSA-N 0 3 324.490 2.618 20 10 DFCDHN CCC[N@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1[O-] ZINC000092705029 185334346 /nfs/dbraw/zinc/33/43/46/185334346.db2.gz CIPNVOYLOOYABX-UHFFFAOYSA-N 0 3 302.374 2.919 20 10 DFCDHN CCC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1[O-] ZINC000092705029 185334347 /nfs/dbraw/zinc/33/43/47/185334347.db2.gz CIPNVOYLOOYABX-UHFFFAOYSA-N 0 3 302.374 2.919 20 10 DFCDHN CN(C)c1ccc(CN(C[C@H](O)COC(C)(C)C)C2CC2)cc1 ZINC000298735373 282288922 /nfs/dbraw/zinc/28/89/22/282288922.db2.gz UUJVNBGZAYIQCF-SFHVURJKSA-N 0 3 320.477 2.893 20 10 DFCDHN CCN(C)c1ccc([C@H](C)NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000089682029 398463802 /nfs/dbraw/zinc/46/38/02/398463802.db2.gz PUDIMTGWZINARG-HNAYVOBHSA-N 0 3 317.477 2.657 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1[O-] ZINC000370027882 398653719 /nfs/dbraw/zinc/65/37/19/398653719.db2.gz RJLMAKIEPMLRKJ-INIZCTEOSA-N 0 3 320.408 2.794 20 10 DFCDHN CC1CCC(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000236788113 202010329 /nfs/dbraw/zinc/01/03/29/202010329.db2.gz BUQWAEXYOSEZDZ-UHFFFAOYSA-N 0 3 315.461 2.534 20 10 DFCDHN COc1cc(CN(C)Cc2ccccc2O)cc2c1OCO2 ZINC000091956443 193132261 /nfs/dbraw/zinc/13/22/61/193132261.db2.gz FIVXPFINTSKGKE-UHFFFAOYSA-N 0 3 301.342 2.762 20 10 DFCDHN C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000285609407 296119540 /nfs/dbraw/zinc/11/95/40/296119540.db2.gz JAXSTYQNMIOGLF-CQSZACIVSA-N 0 3 324.490 2.761 20 10 DFCDHN C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273420176 296131029 /nfs/dbraw/zinc/13/10/29/296131029.db2.gz RYYWDOBGRACTEM-QWHCGFSZSA-N 0 3 307.394 2.683 20 10 DFCDHN C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273420176 296131030 /nfs/dbraw/zinc/13/10/30/296131030.db2.gz RYYWDOBGRACTEM-QWHCGFSZSA-N 0 3 307.394 2.683 20 10 DFCDHN COc1cccc(CN(C)[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000093360270 193238222 /nfs/dbraw/zinc/23/82/22/193238222.db2.gz MVGMCVUKIXOQCQ-GFCCVEGCSA-N 0 3 324.421 2.746 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c([O-])c1 ZINC000105492910 194105331 /nfs/dbraw/zinc/10/53/31/194105331.db2.gz FJQDEHKQFPNICT-KRWDZBQOSA-N 0 3 315.413 2.874 20 10 DFCDHN COCC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccc(C)o1 ZINC000272388644 130025580 /nfs/dbraw/zinc/02/55/80/130025580.db2.gz ZCLZGQSCPATVCK-CYBMUJFWSA-N 0 3 319.357 2.890 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000272876997 130070972 /nfs/dbraw/zinc/07/09/72/130070972.db2.gz PTILTSHSPHQOMX-PBHICJAKSA-N 0 3 310.397 2.844 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2ccc(N(C)C)nc2)c1 ZINC000273369865 130112432 /nfs/dbraw/zinc/11/24/32/130112432.db2.gz FUQNFCQKDXZYIF-LBPRGKRZSA-N 0 3 301.390 2.713 20 10 DFCDHN Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)c2ccccc2)c1 ZINC000273433973 130120318 /nfs/dbraw/zinc/12/03/18/130120318.db2.gz WONFXYZZLXPTOT-AWEZNQCLSA-N 0 3 319.426 2.825 20 10 DFCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000273481190 130126225 /nfs/dbraw/zinc/12/62/25/130126225.db2.gz MBAQNQVLMZUHPH-VUCTXSBTSA-N 0 3 322.424 2.560 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c([O-])c1C ZINC000273595810 130142191 /nfs/dbraw/zinc/14/21/91/130142191.db2.gz QLOUJDCCRJJZKR-WMLDXEAASA-N 0 3 319.493 2.543 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c([O-])c1C ZINC000273604712 130143883 /nfs/dbraw/zinc/14/38/83/130143883.db2.gz SWCXHZDQBSYWJJ-CZUORRHYSA-N 0 3 306.450 2.628 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274412862 130232660 /nfs/dbraw/zinc/23/26/60/130232660.db2.gz SCBJTINREHDZTF-LBPRGKRZSA-N 0 3 303.431 2.896 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)c([O-])c1 ZINC000284281290 131065812 /nfs/dbraw/zinc/06/58/12/131065812.db2.gz XJOSBSJOLLNWSW-JKSUJKDBSA-N 0 3 306.450 2.506 20 10 DFCDHN C[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000284402546 131077400 /nfs/dbraw/zinc/07/74/00/131077400.db2.gz PTPVNARGGRMEMY-JLJPHGGASA-N 0 3 308.466 2.561 20 10 DFCDHN COc1ccc([C@@H](CN(C)C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000284908371 131121495 /nfs/dbraw/zinc/12/14/95/131121495.db2.gz GDNDGWYNGUKGKK-QGZVFWFLSA-N 0 3 318.392 2.932 20 10 DFCDHN CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000284983176 131128409 /nfs/dbraw/zinc/12/84/09/131128409.db2.gz GELKFADOUVHYKC-ZBFHGGJFSA-N 0 3 304.434 2.918 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285016602 131131081 /nfs/dbraw/zinc/13/10/81/131131081.db2.gz HHQUYKGJNGTABX-IBGZPJMESA-N 0 3 313.397 2.927 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285016602 131131082 /nfs/dbraw/zinc/13/10/82/131131082.db2.gz HHQUYKGJNGTABX-IBGZPJMESA-N 0 3 313.397 2.927 20 10 DFCDHN CCc1ccc([C@H](O)C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000285539629 131178232 /nfs/dbraw/zinc/17/82/32/131178232.db2.gz PUWDGMFRDFLWED-MRXNPFEDSA-N 0 3 315.369 2.507 20 10 DFCDHN CCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000289260270 131369828 /nfs/dbraw/zinc/36/98/28/131369828.db2.gz FQSLSSXCYNIGPT-XYPWUTKMSA-N 0 3 304.434 2.848 20 10 DFCDHN CCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000289260270 131369829 /nfs/dbraw/zinc/36/98/29/131369829.db2.gz FQSLSSXCYNIGPT-XYPWUTKMSA-N 0 3 304.434 2.848 20 10 DFCDHN COc1cccc(CNCc2ccc(N(C)C(C)C)nc2)c1O ZINC000289466202 131389190 /nfs/dbraw/zinc/38/91/90/131389190.db2.gz OXVICOMWNAVLIG-UHFFFAOYSA-N 0 3 315.417 2.930 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)NCc1ccccc1 ZINC000297803635 132034907 /nfs/dbraw/zinc/03/49/07/132034907.db2.gz QLJOZKLQRICFIE-BBRMVZONSA-N 0 3 310.397 2.674 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)NCc1ccccc1 ZINC000297803641 132034937 /nfs/dbraw/zinc/03/49/37/132034937.db2.gz QLJOZKLQRICFIE-XJKSGUPXSA-N 0 3 310.397 2.674 20 10 DFCDHN COc1ccc(O)c(CN(CCCO)Cc2ccccc2)c1 ZINC000271727454 286338130 /nfs/dbraw/zinc/33/81/30/286338130.db2.gz LZVQQNXVZZNCIO-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN COc1ccc([O-])c(C[N@H+](CCCO)Cc2ccccc2)c1 ZINC000271727454 286338134 /nfs/dbraw/zinc/33/81/34/286338134.db2.gz LZVQQNXVZZNCIO-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+](CCCO)Cc2ccccc2)c1 ZINC000271727454 286338137 /nfs/dbraw/zinc/33/81/37/286338137.db2.gz LZVQQNXVZZNCIO-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN COc1cccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)c1[O-] ZINC000263703955 286452331 /nfs/dbraw/zinc/45/23/31/286452331.db2.gz RWHHAWQKKLPFBA-CYBMUJFWSA-N 0 3 300.358 2.669 20 10 DFCDHN C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1[O-] ZINC000037648218 425848969 /nfs/dbraw/zinc/84/89/69/425848969.db2.gz IQZJSGOBADJFTO-NEPJUHHUSA-N 0 3 302.340 2.927 20 10 DFCDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167858571 426133846 /nfs/dbraw/zinc/13/38/46/426133846.db2.gz UWQAKPYUHXSVIT-QGZVFWFLSA-N 0 3 303.450 2.522 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC([NH+]3CCCC3)CC2)c1[O-] ZINC000079414166 426191360 /nfs/dbraw/zinc/19/13/60/426191360.db2.gz YRBFAEOENRXOPU-UHFFFAOYSA-N 0 3 320.408 2.794 20 10 DFCDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000151351990 426291969 /nfs/dbraw/zinc/29/19/69/426291969.db2.gz LRYPOYMBRZDGCM-RHSMWYFYSA-N 0 3 323.458 2.935 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1C ZINC000151990361 426321041 /nfs/dbraw/zinc/32/10/41/426321041.db2.gz NCPPSGHDJMLXHR-MRXNPFEDSA-N 0 3 318.461 2.694 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1[O-] ZINC000175678868 426321895 /nfs/dbraw/zinc/32/18/95/426321895.db2.gz PMZKAAWUXOXYLG-CYBMUJFWSA-N 0 3 308.397 2.508 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1[O-] ZINC000175678868 426321898 /nfs/dbraw/zinc/32/18/98/426321898.db2.gz PMZKAAWUXOXYLG-CYBMUJFWSA-N 0 3 308.397 2.508 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000175709313 426322810 /nfs/dbraw/zinc/32/28/10/426322810.db2.gz HYKKJCYRBTTYTF-CQSZACIVSA-N 0 3 320.408 2.652 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)c([O-])c1 ZINC000152711758 426350226 /nfs/dbraw/zinc/35/02/26/426350226.db2.gz YVRGWFNKSOTYOR-QGZVFWFLSA-N 0 3 315.413 2.874 20 10 DFCDHN CN(C)c1ccc(CN(C)C(=O)[C@@H](C2CC2)N2CCCC2)cc1 ZINC000123024362 426409243 /nfs/dbraw/zinc/40/92/43/426409243.db2.gz HLKJAGHBYMIZIX-GOSISDBHSA-N 0 3 315.461 2.585 20 10 DFCDHN CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000153829486 426409229 /nfs/dbraw/zinc/40/92/29/426409229.db2.gz MEIIXOBHVPRPLY-CQSZACIVSA-N 0 3 306.406 2.785 20 10 DFCDHN CCOc1cccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1O ZINC000123699099 426449312 /nfs/dbraw/zinc/44/93/12/426449312.db2.gz IPHUKEIDXGZVDQ-FZMZJTMJSA-N 0 3 319.323 2.679 20 10 DFCDHN COc1cccc(CN[C@@H](C[S@](C)=O)c2ccccc2)c1O ZINC000154705388 426452254 /nfs/dbraw/zinc/45/22/54/426452254.db2.gz AUHRJELPZSDSEQ-OYHNWAKOSA-N 0 3 319.426 2.610 20 10 DFCDHN C[C@@H](N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cnn(C)c1 ZINC000155313548 426469103 /nfs/dbraw/zinc/46/91/03/426469103.db2.gz CRGVHCUKJXRJHK-HUUCEWRRSA-N 0 3 314.433 2.669 20 10 DFCDHN CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000195194801 426506430 /nfs/dbraw/zinc/50/64/30/426506430.db2.gz WXVFOKORXSBIQB-SFHVURJKSA-N 0 3 321.417 2.812 20 10 DFCDHN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000195194801 426506434 /nfs/dbraw/zinc/50/64/34/426506434.db2.gz WXVFOKORXSBIQB-SFHVURJKSA-N 0 3 321.417 2.812 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(F)ccc1[O-] ZINC000186172388 426491125 /nfs/dbraw/zinc/49/11/25/426491125.db2.gz AYKZXIGDTVKESU-JSGCOSHPSA-N 0 3 301.365 2.856 20 10 DFCDHN Cc1cc(O)c(CN2C[C@@]3(CCOC3)OC(C)(C)C2)cc1C ZINC000280133240 426503313 /nfs/dbraw/zinc/50/33/13/426503313.db2.gz CMKOOVHDCUDLMM-GOSISDBHSA-N 0 3 305.418 2.779 20 10 DFCDHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000280400510 426565808 /nfs/dbraw/zinc/56/58/08/426565808.db2.gz XSDPSLZUDRXRGX-IFXJQAMLSA-N 0 3 313.397 2.925 20 10 DFCDHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000280400510 426565809 /nfs/dbraw/zinc/56/58/09/426565809.db2.gz XSDPSLZUDRXRGX-IFXJQAMLSA-N 0 3 313.397 2.925 20 10 DFCDHN CS[C@@H](CO)[C@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000219069517 426570825 /nfs/dbraw/zinc/57/08/25/426570825.db2.gz OCVJJOWECVLJIR-YOEHRIQHSA-N 0 3 308.491 2.879 20 10 DFCDHN Cc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000264617729 426575299 /nfs/dbraw/zinc/57/52/99/426575299.db2.gz PUZAHQIJHNNADH-INIZCTEOSA-N 0 3 301.386 2.572 20 10 DFCDHN Cc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000264617729 426575302 /nfs/dbraw/zinc/57/53/02/426575302.db2.gz PUZAHQIJHNNADH-INIZCTEOSA-N 0 3 301.386 2.572 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccccc2)c1[O-] ZINC000228669437 426634523 /nfs/dbraw/zinc/63/45/23/426634523.db2.gz KJSUQMKZIJAJNE-CQSZACIVSA-N 0 3 307.777 2.877 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289641160 426671348 /nfs/dbraw/zinc/67/13/48/426671348.db2.gz MKALRMSAFMPJKA-CJNGLKHVSA-N 0 3 324.852 2.649 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289641160 426671353 /nfs/dbraw/zinc/67/13/53/426671353.db2.gz MKALRMSAFMPJKA-CJNGLKHVSA-N 0 3 324.852 2.649 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289897878 426676833 /nfs/dbraw/zinc/67/68/33/426676833.db2.gz WRFPQRLLDVYBOL-STQMWFEESA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289897878 426676838 /nfs/dbraw/zinc/67/68/38/426676838.db2.gz WRFPQRLLDVYBOL-STQMWFEESA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1ccc(O)c(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289897878 426676843 /nfs/dbraw/zinc/67/68/43/426676843.db2.gz WRFPQRLLDVYBOL-STQMWFEESA-N 0 3 303.324 2.693 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1[O-] ZINC000273699568 426710486 /nfs/dbraw/zinc/71/04/86/426710486.db2.gz CZKHZHSHBMJERQ-FZMZJTMJSA-N 0 3 310.825 2.580 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[O-] ZINC000273699568 426710490 /nfs/dbraw/zinc/71/04/90/426710490.db2.gz CZKHZHSHBMJERQ-FZMZJTMJSA-N 0 3 310.825 2.580 20 10 DFCDHN C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000237531848 426694014 /nfs/dbraw/zinc/69/40/14/426694014.db2.gz QMWXUFNSDXESEE-HNAYVOBHSA-N 0 3 323.440 2.591 20 10 DFCDHN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H](N)c1ccccc1 ZINC000237575166 426695003 /nfs/dbraw/zinc/69/50/03/426695003.db2.gz WQWMXIPDSGMYJX-KSSFIOAISA-N 0 3 311.429 2.705 20 10 DFCDHN C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000281027561 426700220 /nfs/dbraw/zinc/70/02/20/426700220.db2.gz ZWGXJGRIZAXMQY-JQFCIGGWSA-N 0 3 319.445 2.567 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@H]3CCCC[C@H]31)OCO2 ZINC000245901821 426781177 /nfs/dbraw/zinc/78/11/77/426781177.db2.gz SNTOVOZJLJFOFC-WBMJQRKESA-N 0 3 307.415 2.981 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@H]3CCCC[C@H]31)OCO2 ZINC000245901821 426781179 /nfs/dbraw/zinc/78/11/79/426781179.db2.gz SNTOVOZJLJFOFC-WBMJQRKESA-N 0 3 307.415 2.981 20 10 DFCDHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(OC)ccc1O ZINC000245923143 426783375 /nfs/dbraw/zinc/78/33/75/426783375.db2.gz YGNJPCITBDESDA-WQVCFCJDSA-N 0 3 319.401 2.707 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1OC ZINC000245545645 426750217 /nfs/dbraw/zinc/75/02/17/426750217.db2.gz UGODZCHMQWDEEF-KBXCAEBGSA-N 0 3 321.417 2.536 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1OC ZINC000245545645 426750221 /nfs/dbraw/zinc/75/02/21/426750221.db2.gz UGODZCHMQWDEEF-KBXCAEBGSA-N 0 3 321.417 2.536 20 10 DFCDHN Oc1ccccc1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000179556872 426800597 /nfs/dbraw/zinc/80/05/97/426800597.db2.gz AFXHRESFXRTFMC-UHFFFAOYSA-N 0 3 303.793 2.763 20 10 DFCDHN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000290629025 426809633 /nfs/dbraw/zinc/80/96/33/426809633.db2.gz XVYPMUUSJRHGRL-CYBMUJFWSA-N 0 3 315.373 2.798 20 10 DFCDHN COC(=O)c1cnc(SCC[C@H]2CCCCN2C)s1 ZINC000295157933 426843705 /nfs/dbraw/zinc/84/37/05/426843705.db2.gz GHEDUHDCZATVNH-SNVBAGLBSA-N 0 3 300.449 2.896 20 10 DFCDHN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000295189175 426855305 /nfs/dbraw/zinc/85/53/05/426855305.db2.gz XBQIGIFUDBVVIE-NSHDSACASA-N 0 3 307.312 2.848 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000282455988 426915867 /nfs/dbraw/zinc/91/58/67/426915867.db2.gz VIGFOSPLNMCGKY-OZVIIMIRSA-N 0 3 302.418 2.589 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000246856635 426873172 /nfs/dbraw/zinc/87/31/72/426873172.db2.gz SHPRJXDXHHDWQA-NVXWUHKLSA-N 0 3 323.458 2.887 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000246856635 426873179 /nfs/dbraw/zinc/87/31/79/426873179.db2.gz SHPRJXDXHHDWQA-NVXWUHKLSA-N 0 3 323.458 2.887 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000291001143 426873624 /nfs/dbraw/zinc/87/36/24/426873624.db2.gz AWWOIMMGTJZYEJ-PKOBYXMFSA-N 0 3 313.397 2.657 20 10 DFCDHN COc1cc(O)c(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1OC ZINC000291503096 426900548 /nfs/dbraw/zinc/90/05/48/426900548.db2.gz HPNUNXKHLNZYDW-YOEHRIQHSA-N 0 3 321.417 2.799 20 10 DFCDHN COc1cccc(CN[C@@]2(CO)CCCc3ccccc32)c1O ZINC000282410512 426903722 /nfs/dbraw/zinc/90/37/22/426903722.db2.gz QEWNQTXEPKDDEH-LJQANCHMSA-N 0 3 313.397 2.715 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c([O-])c1 ZINC000319803969 426963617 /nfs/dbraw/zinc/96/36/17/426963617.db2.gz HUSZMLBAVPSPCA-CZUORRHYSA-N 0 3 315.417 2.618 20 10 DFCDHN CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-])C1CC1 ZINC000275846890 426930248 /nfs/dbraw/zinc/93/02/48/426930248.db2.gz WOBULPOSXMADPS-GOSISDBHSA-N 0 3 316.445 2.984 20 10 DFCDHN CC(=O)N(C[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-])C1CC1 ZINC000275846890 426930253 /nfs/dbraw/zinc/93/02/53/426930253.db2.gz WOBULPOSXMADPS-GOSISDBHSA-N 0 3 316.445 2.984 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1nnc3n1CCCCC3)CC2 ZINC000295933620 427020675 /nfs/dbraw/zinc/02/06/75/427020675.db2.gz KMHBCKKMJHIWFA-AWEZNQCLSA-N 0 3 312.417 2.530 20 10 DFCDHN CNC(=O)[C@H](C)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000291912100 427022380 /nfs/dbraw/zinc/02/23/80/427022380.db2.gz MYGXAQZWEQCSPB-CABCVRRESA-N 0 3 303.450 2.852 20 10 DFCDHN Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000296006854 427043800 /nfs/dbraw/zinc/04/38/00/427043800.db2.gz ORJVCGUVEHNVMF-MRXNPFEDSA-N 0 3 310.397 2.708 20 10 DFCDHN CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296080804 427068188 /nfs/dbraw/zinc/06/81/88/427068188.db2.gz SNHXKMDIBQFBJI-MRXNPFEDSA-N 0 3 310.397 2.628 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]CCn1cc(Br)cn1)CC2 ZINC000296248029 427124984 /nfs/dbraw/zinc/12/49/84/427124984.db2.gz BDHMKIRNEUDWKV-GFCCVEGCSA-N 0 3 322.206 2.628 20 10 DFCDHN COC[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000268841155 427135089 /nfs/dbraw/zinc/13/50/89/427135089.db2.gz IDCONWBBOFARCG-BFHYXJOUSA-N 0 3 310.413 2.564 20 10 DFCDHN COC[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000268841158 427135254 /nfs/dbraw/zinc/13/52/54/427135254.db2.gz IDCONWBBOFARCG-MELADBBJSA-N 0 3 310.413 2.564 20 10 DFCDHN COCCOC1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCOCC1 ZINC000296617340 427228532 /nfs/dbraw/zinc/22/85/32/427228532.db2.gz WQVNBTKEFDJILB-HNNXBMFYSA-N 0 3 323.433 2.563 20 10 DFCDHN C[C@H]([NH2+]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000183394032 427260000 /nfs/dbraw/zinc/26/00/00/427260000.db2.gz XMQIHJGFDMYIFM-KKUMJFAQSA-N 0 3 306.450 2.931 20 10 DFCDHN COC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183606309 427300907 /nfs/dbraw/zinc/30/09/07/427300907.db2.gz ISZYBLYPFMBRHD-ZDUSSCGKSA-N 0 3 315.369 2.795 20 10 DFCDHN CCOc1cccc(CN[C@@H](CC)[C@@H](O)C(F)(F)F)c1O ZINC000270863275 427365939 /nfs/dbraw/zinc/36/59/39/427365939.db2.gz DQXFROYIRMIRCF-GXFFZTMASA-N 0 3 307.312 2.582 20 10 DFCDHN C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000278784908 427453744 /nfs/dbraw/zinc/45/37/44/427453744.db2.gz ZPTSDQGBICXDJJ-LIRRHRJNSA-N 0 3 313.397 2.689 20 10 DFCDHN C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000278814865 427462939 /nfs/dbraw/zinc/46/29/39/427462939.db2.gz ZUZKSFDYOZFXHZ-KGLIPLIRSA-N 0 3 310.413 2.683 20 10 DFCDHN CN(C(=O)C[NH2+][C@@H]1CCc2cccc([O-])c21)C1CCCCC1 ZINC000297931209 427485518 /nfs/dbraw/zinc/48/55/18/427485518.db2.gz XPUZBPGLRQOZII-OAHLLOKOSA-N 0 3 302.418 2.760 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c([O-])c1 ZINC000278426948 427440310 /nfs/dbraw/zinc/44/03/10/427440310.db2.gz JBZDEJNFKZYZNB-HUUCEWRRSA-N 0 3 314.433 2.754 20 10 DFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C1CC1 ZINC000278479991 427444104 /nfs/dbraw/zinc/44/41/04/427444104.db2.gz RUSMRSSZZYUDEI-GOSISDBHSA-N 0 3 315.461 2.728 20 10 DFCDHN CCN(CC)c1ccc(CN[C@@H](COC)[C@@H]2CCCO2)cc1 ZINC000278575973 427445722 /nfs/dbraw/zinc/44/57/22/427445722.db2.gz FEDIOTLYPYLBNW-ROUUACIJSA-N 0 3 306.450 2.816 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCO[C@H](c2cncn2C)C1)c1cc(F)ccc1[O-] ZINC000278938127 427508724 /nfs/dbraw/zinc/50/87/24/427508724.db2.gz JZAPTYOYSYIMST-BNLOLNQZSA-N 0 3 319.380 2.836 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]CCC(=O)OC(C)(C)C)c1[O-] ZINC000184709242 427524011 /nfs/dbraw/zinc/52/40/11/427524011.db2.gz NYDVQWKPPBUNDQ-UHFFFAOYSA-N 0 3 315.797 2.876 20 10 DFCDHN Cc1cc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)ccc1N(C)C ZINC000294029197 427525919 /nfs/dbraw/zinc/52/59/19/427525919.db2.gz HXVHAIKWESBVEA-TXPKVOOTSA-N 0 3 318.461 2.829 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1 ZINC000184915346 427563599 /nfs/dbraw/zinc/56/35/99/427563599.db2.gz PRIAIHOGZWBDMS-RDJZCZTQSA-N 0 3 306.450 2.708 20 10 DFCDHN CC(C)[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000184915915 427563654 /nfs/dbraw/zinc/56/36/54/427563654.db2.gz OWMLXCBOXRKMKG-CZUORRHYSA-N 0 3 310.413 2.539 20 10 DFCDHN COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000184949219 427565827 /nfs/dbraw/zinc/56/58/27/427565827.db2.gz VTAPUYIUVZNXPI-PIGZYNQJSA-N 0 3 305.349 2.924 20 10 DFCDHN CC(C)NC(=O)CC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000184981452 427571930 /nfs/dbraw/zinc/57/19/30/427571930.db2.gz XISCUPLRYZQRMS-ZDUSSCGKSA-N 0 3 304.434 2.836 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc2c(cc1[O-])CCCC2 ZINC000184982277 427573199 /nfs/dbraw/zinc/57/31/99/427573199.db2.gz SIUMLFOMODFIBR-LRDDRELGSA-N 0 3 302.418 2.590 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(NC(C)=O)nc2)c1 ZINC000279173588 427584026 /nfs/dbraw/zinc/58/40/26/427584026.db2.gz UZEWDCOICWHTCY-LLVKDONJSA-N 0 3 315.373 2.605 20 10 DFCDHN CCOC(=O)CC1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000271746623 427583941 /nfs/dbraw/zinc/58/39/41/427583941.db2.gz SXILKTUKKCZCDY-UHFFFAOYSA-N 0 3 307.390 2.566 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000271771985 427586209 /nfs/dbraw/zinc/58/62/09/427586209.db2.gz DJJKQTCMKAQFAG-DIFFPNOSSA-N 0 3 305.349 2.924 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)c1 ZINC000271867073 427591335 /nfs/dbraw/zinc/59/13/35/427591335.db2.gz WIUPXEZYFRNHQT-QGZVFWFLSA-N 0 3 305.374 2.608 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1 ZINC000271873095 427593751 /nfs/dbraw/zinc/59/37/51/427593751.db2.gz YJHUXGYSEXDZPE-KRWDZBQOSA-N 0 3 323.339 2.676 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000185127646 427600226 /nfs/dbraw/zinc/60/02/26/427600226.db2.gz RXWOBUUUQQWZBE-DZGCQCFKSA-N 0 3 319.376 2.930 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000192939169 427637587 /nfs/dbraw/zinc/63/75/87/427637587.db2.gz NNZPQZNTGHEWRW-HIFRSBDPSA-N 0 3 309.406 2.637 20 10 DFCDHN C[N@H+](Cc1ccccc1[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000294937354 427665631 /nfs/dbraw/zinc/66/56/31/427665631.db2.gz GPNITVMJEJDHMK-UHFFFAOYSA-N 0 3 306.406 2.880 20 10 DFCDHN C[N@@H+](Cc1ccccc1[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000294937354 427665635 /nfs/dbraw/zinc/66/56/35/427665635.db2.gz GPNITVMJEJDHMK-UHFFFAOYSA-N 0 3 306.406 2.880 20 10 DFCDHN CCN(CC)c1ccc(CNC(=O)Cc2nc[nH]c2C)cc1F ZINC000279331543 427643966 /nfs/dbraw/zinc/64/39/66/427643966.db2.gz CTCGBJQVNOEORI-UHFFFAOYSA-N 0 3 318.396 2.562 20 10 DFCDHN Cc1cnccc1CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000294540644 427646053 /nfs/dbraw/zinc/64/60/53/427646053.db2.gz ITNGIXGGGIZWMG-UHFFFAOYSA-N 0 3 311.429 2.859 20 10 DFCDHN COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185420004 427649446 /nfs/dbraw/zinc/64/94/46/427649446.db2.gz DDQHJVCQGPJVKQ-PIGZYNQJSA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)c([O-])c1 ZINC000185444286 427654489 /nfs/dbraw/zinc/65/44/89/427654489.db2.gz UTTTXXSPBNFNKP-AWEZNQCLSA-N 0 3 304.434 3.000 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](Cc2ccccc2)OC)c1 ZINC000294764328 427656802 /nfs/dbraw/zinc/65/68/02/427656802.db2.gz JKDMNJIWFQYMOV-QGZVFWFLSA-N 0 3 301.386 2.748 20 10 DFCDHN CC(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])cn1 ZINC000279461673 427679509 /nfs/dbraw/zinc/67/95/09/427679509.db2.gz UKEKEGPIXHTVDQ-UHFFFAOYSA-N 0 3 319.792 2.997 20 10 DFCDHN O=C1C[C@@]2(CC[N@@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)CN1 ZINC000279487964 427685637 /nfs/dbraw/zinc/68/56/37/427685637.db2.gz UQENRZDWVMWHKO-FQEVSTJZSA-N 0 3 322.408 2.771 20 10 DFCDHN O=C1C[C@@]2(CC[N@H+](Cc3cc(-c4ccccc4)ccc3[O-])C2)CN1 ZINC000279487964 427685642 /nfs/dbraw/zinc/68/56/42/427685642.db2.gz UQENRZDWVMWHKO-FQEVSTJZSA-N 0 3 322.408 2.771 20 10 DFCDHN CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(C)cc1O ZINC000185866975 427720232 /nfs/dbraw/zinc/72/02/32/427720232.db2.gz JZXDPRDKRFOUEM-GFCCVEGCSA-N 0 3 303.406 2.856 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1[O-] ZINC000186051569 427743691 /nfs/dbraw/zinc/74/36/91/427743691.db2.gz ZFLCEOAYXHCKMJ-JSGCOSHPSA-N 0 3 316.380 2.641 20 10 DFCDHN CCOc1cccc(CN2C[C@@H](CC)O[C@@]3(CCOC3)C2)c1O ZINC000369540903 427994106 /nfs/dbraw/zinc/99/41/06/427994106.db2.gz LKYJAIFMWNKQBS-QAPCUYQASA-N 0 3 321.417 2.561 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000370212096 428156923 /nfs/dbraw/zinc/15/69/23/428156923.db2.gz HBQXJYMEXCTUHH-GOEBONIOSA-N 0 3 300.406 2.847 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000370212096 428156925 /nfs/dbraw/zinc/15/69/25/428156925.db2.gz HBQXJYMEXCTUHH-GOEBONIOSA-N 0 3 300.406 2.847 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1[O-] ZINC000370367560 428194661 /nfs/dbraw/zinc/19/46/61/428194661.db2.gz PTBBHCPHWLDUAA-INIZCTEOSA-N 0 3 302.418 2.678 20 10 DFCDHN Cc1cccc(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)c1[O-] ZINC000370367560 428194667 /nfs/dbraw/zinc/19/46/67/428194667.db2.gz PTBBHCPHWLDUAA-INIZCTEOSA-N 0 3 302.418 2.678 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cccc(C)c2[O-])n1 ZINC000371422957 428389844 /nfs/dbraw/zinc/38/98/44/428389844.db2.gz ASBIZAHCBJLGSL-INIZCTEOSA-N 0 3 300.406 2.574 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cccc(C)c2[O-])n1 ZINC000371422957 428389847 /nfs/dbraw/zinc/38/98/47/428389847.db2.gz ASBIZAHCBJLGSL-INIZCTEOSA-N 0 3 300.406 2.574 20 10 DFCDHN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc(Cl)ccc1[O-] ZINC000371471468 428392293 /nfs/dbraw/zinc/39/22/93/428392293.db2.gz UQKOMSYHSRIHRD-BFYDXBDKSA-N 0 3 324.852 2.729 20 10 DFCDHN CN(C)c1ccc(CN2CCCC[C@@H]2C(=O)N2CCCC2)cc1 ZINC000372417779 428447758 /nfs/dbraw/zinc/44/77/58/428447758.db2.gz XTXPUZIAMJWPAH-GOSISDBHSA-N 0 3 315.461 2.730 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CN2CCCC[C@H]2CO1)c1ccccc1[O-] ZINC000372801737 428504374 /nfs/dbraw/zinc/50/43/74/428504374.db2.gz MBNCMLVBJVGCMM-UXLLHSPISA-N 0 3 304.434 2.686 20 10 DFCDHN CC[C@@H]1CN(Cc2cccc(C)c2O)C[C@@]2(CCCOC2)O1 ZINC000373470954 428585478 /nfs/dbraw/zinc/58/54/78/428585478.db2.gz UYRJKEOYZOUNQP-SJLPKXTDSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@@H]1C[N@H+](Cc2cccc(C)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000373470954 428585484 /nfs/dbraw/zinc/58/54/84/428585484.db2.gz UYRJKEOYZOUNQP-SJLPKXTDSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@@H]1C[N@@H+](Cc2cccc(C)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000373470954 428585487 /nfs/dbraw/zinc/58/54/87/428585487.db2.gz UYRJKEOYZOUNQP-SJLPKXTDSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@H]1CN(Cc2cc(C)c(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000373492688 428590246 /nfs/dbraw/zinc/59/02/46/428590246.db2.gz FOPGJLJWRPFJNZ-FUHWJXTLSA-N 0 3 305.418 2.779 20 10 DFCDHN CC[C@@H]1CN(Cc2cc(C)c(C)cc2O)C[C@]2(CCOC2)O1 ZINC000373492687 428591198 /nfs/dbraw/zinc/59/11/98/428591198.db2.gz FOPGJLJWRPFJNZ-AEFFLSMTSA-N 0 3 305.418 2.779 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[O-] ZINC000290298827 274095222 /nfs/dbraw/zinc/09/52/22/274095222.db2.gz BBFBNRCSAOQPGF-DOMZBBRYSA-N 0 3 324.852 2.970 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1[O-] ZINC000290298827 274095223 /nfs/dbraw/zinc/09/52/23/274095223.db2.gz BBFBNRCSAOQPGF-DOMZBBRYSA-N 0 3 324.852 2.970 20 10 DFCDHN C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccccc2[O-])CCO1 ZINC000298580382 274365877 /nfs/dbraw/zinc/36/58/77/274365877.db2.gz XSBKSXLSUBVKAI-OAHLLOKOSA-N 0 3 312.413 2.907 20 10 DFCDHN C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(F)ccc1[O-] ZINC000363868439 429131729 /nfs/dbraw/zinc/13/17/29/429131729.db2.gz SCLMLLAIQKZYDU-GFCCVEGCSA-N 0 3 312.348 2.963 20 10 DFCDHN O=C(/C=C/c1cnccn1)N(CCN1CCCC1)c1ccccc1 ZINC000491871490 429425507 /nfs/dbraw/zinc/42/55/07/429425507.db2.gz QOADPXOCACUAPZ-CMDGGOBGSA-N 0 3 322.412 2.619 20 10 DFCDHN O=C(/C=C\c1cnccn1)N(CCN1CCCC1)c1ccccc1 ZINC000491871491 429426058 /nfs/dbraw/zinc/42/60/58/429426058.db2.gz QOADPXOCACUAPZ-HJWRWDBZSA-N 0 3 322.412 2.619 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2CCn3ccnc3C2)c1[O-] ZINC000366741232 429505250 /nfs/dbraw/zinc/50/52/50/429505250.db2.gz AZGCSMSTENVWKG-LBPRGKRZSA-N 0 3 305.809 2.903 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000367307231 429617170 /nfs/dbraw/zinc/61/71/70/429617170.db2.gz GAAZRUWWIFFDLJ-MRXNPFEDSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000367307231 429617172 /nfs/dbraw/zinc/61/71/72/429617172.db2.gz GAAZRUWWIFFDLJ-MRXNPFEDSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000367306855 429617355 /nfs/dbraw/zinc/61/73/55/429617355.db2.gz BBPLZUGDALBEPY-LSDHHAIUSA-N 0 3 300.406 2.555 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCN(C)[C@@H](c2ncc[nH]2)C1 ZINC000367306855 429617358 /nfs/dbraw/zinc/61/73/58/429617358.db2.gz BBPLZUGDALBEPY-LSDHHAIUSA-N 0 3 300.406 2.555 20 10 DFCDHN COc1cc(Cl)cc(CNCc2cnc3n2CCCC3)c1O ZINC000367438729 429647924 /nfs/dbraw/zinc/64/79/24/429647924.db2.gz OVYWCAIXMCQGNA-UHFFFAOYSA-N 0 3 321.808 2.877 20 10 DFCDHN CN1C(=O)CC[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]1c1cccs1 ZINC000367546158 429669542 /nfs/dbraw/zinc/66/95/42/429669542.db2.gz DBQPSJYXQJBQEX-SUMWQHHRSA-N 0 3 316.426 2.905 20 10 DFCDHN CCOc1cccc(C[NH2+]CCc2ccc(OC)nc2)c1[O-] ZINC000527793774 429800373 /nfs/dbraw/zinc/80/03/73/429800373.db2.gz PHVUNMWLGCMZKJ-UHFFFAOYSA-N 0 3 302.374 2.527 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C23CCC3)cc1OC ZINC000368033588 429772546 /nfs/dbraw/zinc/77/25/46/429772546.db2.gz GTIALFLKLRGMNK-JECHBYEQSA-N 0 3 321.417 2.703 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c([O-])c1C ZINC000368334947 429830917 /nfs/dbraw/zinc/83/09/17/429830917.db2.gz XFOFCPVXMICYLZ-ZIEJDFEHSA-N 0 3 302.418 2.669 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c([O-])c1C ZINC000368325008 429831151 /nfs/dbraw/zinc/83/11/51/429831151.db2.gz WPVCWTXXWAVNEF-JYJNAYRXSA-N 0 3 304.434 2.523 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@H]2Cc3ccccc3NC2=O)c1 ZINC000528001319 429834377 /nfs/dbraw/zinc/83/43/77/429834377.db2.gz OZPKNAATFOFUDG-ZBEGNZNMSA-N 0 3 312.369 2.615 20 10 DFCDHN CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000528004546 429836156 /nfs/dbraw/zinc/83/61/56/429836156.db2.gz RTCHSYKDSXZAPY-HOTGVXAUSA-N 0 3 308.381 2.796 20 10 DFCDHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2[O-])CC(=O)N1Cc1ccccc1 ZINC000368558925 429867246 /nfs/dbraw/zinc/86/72/46/429867246.db2.gz YURCMIZJCAJBDV-YOEHRIQHSA-N 0 3 310.397 2.671 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC000368795290 429894057 /nfs/dbraw/zinc/89/40/57/429894057.db2.gz FBTBXKRMRIOAKE-NJAFHUGGSA-N 0 3 318.461 2.886 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1C[C@@H](CC)[C@@H](N2CCOCC2)C1 ZINC000368795290 429894058 /nfs/dbraw/zinc/89/40/58/429894058.db2.gz FBTBXKRMRIOAKE-NJAFHUGGSA-N 0 3 318.461 2.886 20 10 DFCDHN CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000368823806 429896593 /nfs/dbraw/zinc/89/65/93/429896593.db2.gz JGRUVQWOLYSHDV-KBPBESRZSA-N 0 3 314.433 2.829 20 10 DFCDHN CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(C)cc1[O-] ZINC000369148513 429916028 /nfs/dbraw/zinc/91/60/28/429916028.db2.gz UVUSFXZZOMMVKM-INIZCTEOSA-N 0 3 323.400 2.917 20 10 DFCDHN Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1C ZINC000369377395 429935069 /nfs/dbraw/zinc/93/50/69/429935069.db2.gz ALESPYWWIDANAK-HDMKZQKVSA-N 0 3 305.418 2.777 20 10 DFCDHN Cn1cccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000153232064 279369056 /nfs/dbraw/zinc/36/90/56/279369056.db2.gz DCIISAZVJQCHHW-QGZVFWFLSA-N 0 3 300.402 2.912 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)c1 ZINC000273614539 295167538 /nfs/dbraw/zinc/16/75/38/295167538.db2.gz WXZQZBVPCUCSIE-SNVBAGLBSA-N 0 3 306.328 2.546 20 10 DFCDHN CCCOc1ccc(C[NH+]2CCC(N(C)C(C)=O)CC2)c([O-])c1 ZINC000092538692 332128072 /nfs/dbraw/zinc/12/80/72/332128072.db2.gz CYXZZLQHBSPNER-UHFFFAOYSA-N 0 3 320.433 2.624 20 10 DFCDHN COC[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293563370 335109345 /nfs/dbraw/zinc/10/93/45/335109345.db2.gz CYLQNARAWVORLC-AEFFLSMTSA-N 0 3 315.413 2.663 20 10 DFCDHN COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000294734877 335127045 /nfs/dbraw/zinc/12/70/45/335127045.db2.gz GPYWXMFSMBNEOH-CABCVRRESA-N 0 3 307.390 2.612 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1 ZINC000295160613 335132870 /nfs/dbraw/zinc/13/28/70/335132870.db2.gz SERPOORNKKUJQL-MRXNPFEDSA-N 0 3 319.376 2.623 20 10 DFCDHN CC[NH+](CC)[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184677907 333363652 /nfs/dbraw/zinc/36/36/52/333363652.db2.gz DHVKDBSOLBGWGW-CQSZACIVSA-N 0 3 312.841 2.970 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000297267940 335152334 /nfs/dbraw/zinc/15/23/34/335152334.db2.gz KMXBYRDCFIZTFG-HZPDHXFCSA-N 0 3 306.450 2.506 20 10 DFCDHN CCOC(=O)c1cc(CNCc2ccc(N(C)C)cc2)[nH]c1C ZINC000294866596 334213857 /nfs/dbraw/zinc/21/38/57/334213857.db2.gz WINCWKSDRKQKFM-UHFFFAOYSA-N 0 3 315.417 2.856 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c1[O-] ZINC000366927050 335372667 /nfs/dbraw/zinc/37/26/67/335372667.db2.gz VKJVZOYVKPRWGS-ZFWWWQNUSA-N 0 3 308.809 2.501 20 10 DFCDHN CCN1CCCC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000352110450 336195278 /nfs/dbraw/zinc/19/52/78/336195278.db2.gz CQMVJKHSSSJBHJ-QGZVFWFLSA-N 0 3 313.445 2.977 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)c([O-])c1 ZINC000192810111 336263945 /nfs/dbraw/zinc/26/39/45/336263945.db2.gz VYFJJEGKLJMLOK-LSDHHAIUSA-N 0 3 312.417 2.810 20 10 DFCDHN C[C@H]1[C@H]([NH2+]Cc2ccccc2[O-])CC(=O)N1Cc1ccccc1 ZINC000368558924 336847658 /nfs/dbraw/zinc/84/76/58/336847658.db2.gz YURCMIZJCAJBDV-WMLDXEAASA-N 0 3 310.397 2.671 20 10 DFCDHN CCn1cnnc1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000371536150 336907404 /nfs/dbraw/zinc/90/74/04/336907404.db2.gz TYTLHYFFZIYQIN-UHFFFAOYSA-N 0 3 304.369 2.522 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(c3ccncn3)C2)cc1C ZINC000374141161 336982214 /nfs/dbraw/zinc/98/22/14/336982214.db2.gz DTBSHMHIGFGRHA-INIZCTEOSA-N 0 3 312.417 2.558 20 10 DFCDHN CN(C(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2)C1CC1 ZINC000374789428 336997069 /nfs/dbraw/zinc/99/70/69/336997069.db2.gz VREBVYICMHXQGO-INIZCTEOSA-N 0 3 314.429 2.615 20 10 DFCDHN COC[C@H]1CCCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000375100934 337003311 /nfs/dbraw/zinc/00/33/11/337003311.db2.gz PMAVTZCCXPWWEQ-ZDUSSCGKSA-N 0 3 309.406 2.658 20 10 DFCDHN COC[C@H]1CCCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000375100934 337003312 /nfs/dbraw/zinc/00/33/12/337003312.db2.gz PMAVTZCCXPWWEQ-ZDUSSCGKSA-N 0 3 309.406 2.658 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc(C)cc1[O-] ZINC000375651563 337015630 /nfs/dbraw/zinc/01/56/30/337015630.db2.gz YUCBKHKKOHMEJJ-YOEHRIQHSA-N 0 3 314.433 2.754 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000375862058 337021686 /nfs/dbraw/zinc/02/16/86/337021686.db2.gz SCWHQSQLLUPFQG-ROUUACIJSA-N 0 3 316.445 2.984 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000375862058 337021687 /nfs/dbraw/zinc/02/16/87/337021687.db2.gz SCWHQSQLLUPFQG-ROUUACIJSA-N 0 3 316.445 2.984 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1[O-] ZINC000376003569 337025003 /nfs/dbraw/zinc/02/50/03/337025003.db2.gz MZITZDRQURNNLX-KFWWJZLASA-N 0 3 302.418 2.834 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)c1ccccc1[O-] ZINC000376323012 337031391 /nfs/dbraw/zinc/03/13/91/337031391.db2.gz SKBZWRAIARIONQ-GOEBONIOSA-N 0 3 312.417 2.892 20 10 DFCDHN COc1cccc(CN2CCC(Nc3cccnc3)CC2)c1O ZINC000377634061 337056951 /nfs/dbraw/zinc/05/69/51/337056951.db2.gz YJZBEHLAMKGUOR-UHFFFAOYSA-N 0 3 313.401 2.872 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000377684883 337058380 /nfs/dbraw/zinc/05/83/80/337058380.db2.gz YPFCSYKDVVQCEZ-MAUKXSAKSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000377684883 337058381 /nfs/dbraw/zinc/05/83/81/337058381.db2.gz YPFCSYKDVVQCEZ-MAUKXSAKSA-N 0 3 302.418 2.788 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1[O-] ZINC000377882095 337063183 /nfs/dbraw/zinc/06/31/83/337063183.db2.gz CPLCGAQGYAACPN-LLVKDONJSA-N 0 3 321.808 2.777 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1[O-] ZINC000377882095 337063184 /nfs/dbraw/zinc/06/31/84/337063184.db2.gz CPLCGAQGYAACPN-LLVKDONJSA-N 0 3 321.808 2.777 20 10 DFCDHN O=C([C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)N1CCCCC1 ZINC000378493862 337074391 /nfs/dbraw/zinc/07/43/91/337074391.db2.gz JBJHAOAEMWJEQJ-CQSZACIVSA-N 0 3 320.408 2.756 20 10 DFCDHN O=C([C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)N1CCCCC1 ZINC000378493862 337074392 /nfs/dbraw/zinc/07/43/92/337074392.db2.gz JBJHAOAEMWJEQJ-CQSZACIVSA-N 0 3 320.408 2.756 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c([O-])c1 ZINC000194261497 337089411 /nfs/dbraw/zinc/08/94/11/337089411.db2.gz YRYLGKBHLHLTQB-WMZOPIPTSA-N 0 3 319.493 2.623 20 10 DFCDHN COc1cccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c1[O-] ZINC000184803351 337200329 /nfs/dbraw/zinc/20/03/29/337200329.db2.gz QTFHTEXMBOOEGQ-UHFFFAOYSA-N 0 3 313.401 2.508 20 10 DFCDHN COc1cccc(C[N@H+]2CCCN(c3ccccn3)CC2)c1[O-] ZINC000184803351 337200330 /nfs/dbraw/zinc/20/03/30/337200330.db2.gz QTFHTEXMBOOEGQ-UHFFFAOYSA-N 0 3 313.401 2.508 20 10 DFCDHN COc1cccc(CN2CCCN(c3ccccn3)CC2)c1O ZINC000184803351 337200331 /nfs/dbraw/zinc/20/03/31/337200331.db2.gz QTFHTEXMBOOEGQ-UHFFFAOYSA-N 0 3 313.401 2.508 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000185025356 337201397 /nfs/dbraw/zinc/20/13/97/337201397.db2.gz SCVSBZRNOLGNPG-CYBMUJFWSA-N 0 3 309.373 2.527 20 10 DFCDHN COc1ccc(N2CCCN(C[C@@H]3CC[C@H](C)O3)CC2)cc1 ZINC000188571875 337274053 /nfs/dbraw/zinc/27/40/53/337274053.db2.gz XDHQBEGDYJOMIB-YJBOKZPZSA-N 0 3 304.434 2.775 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)c1[O-] ZINC000191908628 337301203 /nfs/dbraw/zinc/30/12/03/337301203.db2.gz UXVBFCKFMLTLEQ-UHFFFAOYSA-N 0 3 316.405 2.529 20 10 DFCDHN CN(C)c1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000092661173 337906890 /nfs/dbraw/zinc/90/68/90/337906890.db2.gz MUSPAXPFAPBXON-LJQANCHMSA-N 0 3 318.461 2.913 20 10 DFCDHN CCn1cc(C2CC[NH+](Cc3cccc(OC)c3[O-])CC2)cn1 ZINC000092809304 337909160 /nfs/dbraw/zinc/90/91/60/337909160.db2.gz RCVWAYKQZHHQCT-UHFFFAOYSA-N 0 3 315.417 2.997 20 10 DFCDHN Cc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3[O-])C2)nc(C)n1 ZINC000360097002 500659313 /nfs/dbraw/zinc/65/93/13/500659313.db2.gz WIQHINFSVAJWPM-INIZCTEOSA-N 0 3 312.417 2.558 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@H](O)c2ccc(C)cc2)cc1OC ZINC000278583986 518139559 /nfs/dbraw/zinc/13/95/59/518139559.db2.gz DJNKKFCHPUXZRU-INIZCTEOSA-N 0 3 317.385 2.541 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[N@@H+](C(C)C)CC2)c1[O-] ZINC000267473973 518284365 /nfs/dbraw/zinc/28/43/65/518284365.db2.gz ZYSWUURXKFIPHU-UHFFFAOYSA-N 0 3 308.397 2.650 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[N@H+](C(C)C)CC2)c1[O-] ZINC000267473973 518284369 /nfs/dbraw/zinc/28/43/69/518284369.db2.gz ZYSWUURXKFIPHU-UHFFFAOYSA-N 0 3 308.397 2.650 20 10 DFCDHN CCCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179934010 520607154 /nfs/dbraw/zinc/60/71/54/520607154.db2.gz AYUIALPIGRLWRA-UHFFFAOYSA-N 0 3 308.397 2.660 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC(C(=O)OC)CC2)cc1 ZINC000159235081 520892267 /nfs/dbraw/zinc/89/22/67/520892267.db2.gz CTWMIDGGYPVTFL-UHFFFAOYSA-N 0 3 304.434 2.918 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000265157593 521150740 /nfs/dbraw/zinc/15/07/40/521150740.db2.gz QIYTZFXKNNWBTG-SFHVURJKSA-N 0 3 301.386 2.788 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1 ZINC000266143616 521151421 /nfs/dbraw/zinc/15/14/21/521151421.db2.gz HWFIIJLIKGLNNY-SFHVURJKSA-N 0 3 319.401 2.998 20 10 DFCDHN CCOc1cccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000179961401 521342088 /nfs/dbraw/zinc/34/20/88/521342088.db2.gz WOKVGXVFYIMPGJ-CQSZACIVSA-N 0 3 321.417 2.955 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000128432206 521345034 /nfs/dbraw/zinc/34/50/34/521345034.db2.gz OWXKODYSANAMPC-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000128432206 521345042 /nfs/dbraw/zinc/34/50/42/521345042.db2.gz OWXKODYSANAMPC-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN COC[C@H](CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265735442 522677525 /nfs/dbraw/zinc/67/75/25/522677525.db2.gz CKJWBVARVRYSDK-KRWDZBQOSA-N 0 3 301.386 2.546 20 10 DFCDHN CN1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1=O ZINC000265718897 524024481 /nfs/dbraw/zinc/02/44/81/524024481.db2.gz ZRMOZAZOJOPXQM-QGZVFWFLSA-N 0 3 310.397 2.770 20 10 DFCDHN COc1ccc(CN[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1C ZINC000365660467 524085196 /nfs/dbraw/zinc/08/51/96/524085196.db2.gz GFEHBEDQQWYRDD-ROUUACIJSA-N 0 3 319.445 2.803 20 10 DFCDHN Cc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000158107958 524432518 /nfs/dbraw/zinc/43/25/18/524432518.db2.gz MZDPUVSAQWAHDF-GFCCVEGCSA-N 0 3 302.340 2.674 20 10 DFCDHN COc1ccc([O-])c(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000180242479 524738332 /nfs/dbraw/zinc/73/83/32/524738332.db2.gz HZZAWYRHBZSBEW-SFHVURJKSA-N 0 3 313.397 2.883 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000180242479 524738343 /nfs/dbraw/zinc/73/83/43/524738343.db2.gz HZZAWYRHBZSBEW-SFHVURJKSA-N 0 3 313.397 2.883 20 10 DFCDHN C[C@@H](NC[C@@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156451140 525480471 /nfs/dbraw/zinc/48/04/71/525480471.db2.gz GLINZNJRGXWMTP-ZBFHGGJFSA-N 0 3 322.424 2.882 20 10 DFCDHN Cc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c([O-])c1O ZINC000182965066 526082921 /nfs/dbraw/zinc/08/29/21/526082921.db2.gz AIIDMDSAXRXVEK-UHFFFAOYSA-N 0 3 320.433 2.600 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1[O-] ZINC000187986078 526158926 /nfs/dbraw/zinc/15/89/26/526158926.db2.gz VZQHKQCLEOOCBS-GXFFZTMASA-N 0 3 314.223 2.714 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CCCn1ccnc1)C[C@@H]1CCCO1 ZINC000182897927 526372803 /nfs/dbraw/zinc/37/28/03/526372803.db2.gz DKGWOIAMWMHCCH-KRWDZBQOSA-N 0 3 315.417 2.660 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CCCn1ccnc1)C[C@@H]1CCCO1 ZINC000182897927 526372806 /nfs/dbraw/zinc/37/28/06/526372806.db2.gz DKGWOIAMWMHCCH-KRWDZBQOSA-N 0 3 315.417 2.660 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](CO)C1 ZINC000183031621 527617920 /nfs/dbraw/zinc/61/79/20/527617920.db2.gz LWXDGLBZQWIRDA-INIZCTEOSA-N 0 3 313.397 2.785 20 10 DFCDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000183031621 527617922 /nfs/dbraw/zinc/61/79/22/527617922.db2.gz LWXDGLBZQWIRDA-INIZCTEOSA-N 0 3 313.397 2.785 20 10 DFCDHN CCCN1CC[C@@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273414696 534947892 /nfs/dbraw/zinc/94/78/92/534947892.db2.gz QMDXCSXNXQPYFY-KGLIPLIRSA-N 0 3 320.433 2.561 20 10 DFCDHN CCCN1CC[C@H](C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273414704 534956907 /nfs/dbraw/zinc/95/69/07/534956907.db2.gz QMDXCSXNXQPYFY-ZIAGYGMSSA-N 0 3 320.433 2.561 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000273078966 535752183 /nfs/dbraw/zinc/75/21/83/535752183.db2.gz IQSHBTPLNBNRFX-KRWDZBQOSA-N 0 3 315.413 2.874 20 10 DFCDHN COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])CC1 ZINC000273399917 536411993 /nfs/dbraw/zinc/41/19/93/536411993.db2.gz MWWFPZCNQKWQJQ-ZDUSSCGKSA-N 0 3 306.406 2.890 20 10 DFCDHN COC[C@H](CN[C@@H](C)c1ccc(N2CCCCC2)cc1)OC ZINC000272641316 536853907 /nfs/dbraw/zinc/85/39/07/536853907.db2.gz CSWCNTISEUHVHV-YJBOKZPZSA-N 0 3 306.450 2.989 20 10 DFCDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092707916 185335203 /nfs/dbraw/zinc/33/52/03/185335203.db2.gz FIVBMYBTIOVKAW-HNNXBMFYSA-N 0 3 304.434 2.829 20 10 DFCDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092707916 185335204 /nfs/dbraw/zinc/33/52/04/185335204.db2.gz FIVBMYBTIOVKAW-HNNXBMFYSA-N 0 3 304.434 2.829 20 10 DFCDHN CCCN(CCC)c1ccc(CN[C@H](C)C(=O)NCCF)cc1 ZINC000282758441 535326710 /nfs/dbraw/zinc/32/67/10/535326710.db2.gz TWLRKHJXMZAVMT-OAHLLOKOSA-N 0 3 323.456 2.877 20 10 DFCDHN CCC[N@@H+]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079434453 399043306 /nfs/dbraw/zinc/04/33/06/399043306.db2.gz HODASUQNLBKPCT-UHFFFAOYSA-N 0 3 308.397 2.652 20 10 DFCDHN CCC[N@H+]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079434453 399043311 /nfs/dbraw/zinc/04/33/11/399043311.db2.gz HODASUQNLBKPCT-UHFFFAOYSA-N 0 3 308.397 2.652 20 10 DFCDHN C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273418131 296115212 /nfs/dbraw/zinc/11/52/12/296115212.db2.gz RKNKJPGSOCQATE-GFCCVEGCSA-N 0 3 319.405 2.825 20 10 DFCDHN CCOc1ccc(O)c(CN2CCc3ccccc3[C@@H]2CO)c1 ZINC000093455622 193254127 /nfs/dbraw/zinc/25/41/27/193254127.db2.gz MLCWVAQEHFKQCP-SFHVURJKSA-N 0 3 313.397 2.883 20 10 DFCDHN CCOc1cccc(C[NH+]2CCC(OCCCOC)CC2)c1[O-] ZINC000093561400 193267762 /nfs/dbraw/zinc/26/77/62/193267762.db2.gz ZEGXKUNFEPIPDT-UHFFFAOYSA-N 0 3 323.433 2.808 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](c2cccs2)N(C)C)c1 ZINC000021806002 182291175 /nfs/dbraw/zinc/29/11/75/182291175.db2.gz BBCRADOJFBKRIH-AWEZNQCLSA-N 0 3 306.431 2.855 20 10 DFCDHN C[C@H](NC[C@H](O)C(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000273426715 130120514 /nfs/dbraw/zinc/12/05/14/130120514.db2.gz ULMDNTOSBCUDEQ-XPTSAGLGSA-N 0 3 303.324 2.845 20 10 DFCDHN C[C@@H](NCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273437625 130122176 /nfs/dbraw/zinc/12/21/76/130122176.db2.gz XOHALLPLTWGJKA-CYBMUJFWSA-N 0 3 307.394 2.827 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000273488070 130127803 /nfs/dbraw/zinc/12/78/03/130127803.db2.gz NQELBDPENBEJNJ-POZUXBRTSA-N 0 3 318.461 2.729 20 10 DFCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000273623332 130146928 /nfs/dbraw/zinc/14/69/28/130146928.db2.gz ZUSRIOZULHUCQM-OCCSQVGLSA-N 0 3 300.406 2.575 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274458445 130238288 /nfs/dbraw/zinc/23/82/88/130238288.db2.gz ZXPXXDUXAOUXCS-NSHDSACASA-N 0 3 319.430 2.596 20 10 DFCDHN CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1[O-] ZINC000274960026 130276923 /nfs/dbraw/zinc/27/69/23/130276923.db2.gz WKZFUBUKPXRCRP-JENIJYKNSA-N 0 3 318.461 2.811 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)cc1C ZINC000275505166 130327860 /nfs/dbraw/zinc/32/78/60/130327860.db2.gz JWZRMUPKUKRMDU-FUHWJXTLSA-N 0 3 315.417 2.752 20 10 DFCDHN Cc1cc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)n[nH]1 ZINC000275835275 130395147 /nfs/dbraw/zinc/39/51/47/130395147.db2.gz GEOTXYCPDLPSHC-GFCCVEGCSA-N 0 3 318.396 2.882 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1OC ZINC000283864072 131029583 /nfs/dbraw/zinc/02/95/83/131029583.db2.gz CISULMXAGGOGIX-ZFWWWQNUSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1OC ZINC000283864072 131029584 /nfs/dbraw/zinc/02/95/84/131029584.db2.gz CISULMXAGGOGIX-ZFWWWQNUSA-N 0 3 307.390 2.553 20 10 DFCDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1c(C)cc(C)cc1[O-])CC2 ZINC000284042906 131043050 /nfs/dbraw/zinc/04/30/50/131043050.db2.gz JYDXYYVXWRLPFF-JSGCOSHPSA-N 0 3 300.406 2.575 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1[O-] ZINC000284954596 131125663 /nfs/dbraw/zinc/12/56/63/131125663.db2.gz HRROIEXVLLXDNF-UONOGXRCSA-N 0 3 315.841 2.602 20 10 DFCDHN CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000284983169 131127962 /nfs/dbraw/zinc/12/79/62/131127962.db2.gz GELKFADOUVHYKC-GOEBONIOSA-N 0 3 304.434 2.918 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COC3(CCOCC3)O2)c([O-])c1 ZINC000285081867 131136905 /nfs/dbraw/zinc/13/69/05/131136905.db2.gz JOXVOFYTMNJXND-HUUCEWRRSA-N 0 3 321.417 2.582 20 10 DFCDHN CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000289521081 131392765 /nfs/dbraw/zinc/39/27/65/131392765.db2.gz PHLHUDMGWVIYOK-HNNXBMFYSA-N 0 3 306.406 2.801 20 10 DFCDHN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000289521081 131392766 /nfs/dbraw/zinc/39/27/66/131392766.db2.gz PHLHUDMGWVIYOK-HNNXBMFYSA-N 0 3 306.406 2.801 20 10 DFCDHN C[C@@H](N[C@H](c1nccn1C)C1CCOCC1)c1ccccc1O ZINC000284759795 287065205 /nfs/dbraw/zinc/06/52/05/287065205.db2.gz GQQYNDRWJUJFIR-DYVFJYSZSA-N 0 3 315.417 2.944 20 10 DFCDHN COC[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000124598844 425928796 /nfs/dbraw/zinc/92/87/96/425928796.db2.gz QRUGZJQOHPLQBX-NSHDSACASA-N 0 3 314.223 2.931 20 10 DFCDHN COC[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2[O-])C1 ZINC000124598844 425928797 /nfs/dbraw/zinc/92/87/97/425928797.db2.gz QRUGZJQOHPLQBX-NSHDSACASA-N 0 3 314.223 2.931 20 10 DFCDHN C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1[O-] ZINC000037648220 425848833 /nfs/dbraw/zinc/84/88/33/425848833.db2.gz IQZJSGOBADJFTO-VXGBXAGGSA-N 0 3 302.340 2.927 20 10 DFCDHN O=C(CCC[NH2+]Cc1ccccc1[O-])N1CCc2ccccc21 ZINC000111409421 426049031 /nfs/dbraw/zinc/04/90/31/426049031.db2.gz CWZUQMCYZVVXFF-UHFFFAOYSA-N 0 3 310.397 2.851 20 10 DFCDHN CCCN(CC(=O)N1CCC[C@H](C)C1)Cc1ccccc1O ZINC000076074002 426097739 /nfs/dbraw/zinc/09/77/39/426097739.db2.gz YWRJCQXREXAJFO-HNNXBMFYSA-N 0 3 304.434 2.863 20 10 DFCDHN CN(C)c1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1F ZINC000128185521 426105347 /nfs/dbraw/zinc/10/53/47/426105347.db2.gz XFFOGJGCIVWNRP-UHFFFAOYSA-N 0 3 302.397 2.994 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1C ZINC000128558383 426122500 /nfs/dbraw/zinc/12/25/00/426122500.db2.gz XPBYRNBSBQOYCH-OAHLLOKOSA-N 0 3 300.406 2.513 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1C ZINC000128558383 426122502 /nfs/dbraw/zinc/12/25/02/426122502.db2.gz XPBYRNBSBQOYCH-OAHLLOKOSA-N 0 3 300.406 2.513 20 10 DFCDHN CC[C@H](N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166470792 426127056 /nfs/dbraw/zinc/12/70/56/426127056.db2.gz BVAZHYAPKMITJQ-KRWDZBQOSA-N 0 3 303.450 2.809 20 10 DFCDHN CC(C)C[C@@H](CN(C)C)NC(=O)N(C)Cc1ccccc1O ZINC000079495805 426195337 /nfs/dbraw/zinc/19/53/37/426195337.db2.gz VYOXTAAEWPIIKQ-HNNXBMFYSA-N 0 3 307.438 2.510 20 10 DFCDHN Cc1ccc(O)c(CNCC(=O)N2CCCc3ccccc32)c1 ZINC000172116284 426222175 /nfs/dbraw/zinc/22/21/75/426222175.db2.gz ULBVMRIRUXNRKW-UHFFFAOYSA-N 0 3 310.397 2.770 20 10 DFCDHN CN(C)c1ccc(CNC(C)(C)C(=O)NCC2CCCC2)cc1 ZINC000136027627 426233649 /nfs/dbraw/zinc/23/36/49/426233649.db2.gz RNZVHNZQOIIBKS-UHFFFAOYSA-N 0 3 317.477 2.927 20 10 DFCDHN Cc1cc([C@](C)(O)CNCc2ccc3c(c2)CCO3)c(C)o1 ZINC000174439129 426257049 /nfs/dbraw/zinc/25/70/49/426257049.db2.gz LQSUCMSTYBPYHQ-GOSISDBHSA-N 0 3 301.386 2.829 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000151386385 426292869 /nfs/dbraw/zinc/29/28/69/426292869.db2.gz USUPQVYFMPIJPX-PBHICJAKSA-N 0 3 323.458 2.935 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCCN2c2cccnn2)c1 ZINC000120401522 426311266 /nfs/dbraw/zinc/31/12/66/426311266.db2.gz NPWSKGZNGVBORO-INIZCTEOSA-N 0 3 312.417 2.591 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCCN2c2cccnn2)c1 ZINC000120401522 426311269 /nfs/dbraw/zinc/31/12/69/426311269.db2.gz NPWSKGZNGVBORO-INIZCTEOSA-N 0 3 312.417 2.591 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)cc1F ZINC000121208919 426324608 /nfs/dbraw/zinc/32/46/08/426324608.db2.gz RQNXAEFUJBAONU-AWEZNQCLSA-N 0 3 302.397 2.994 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc1F ZINC000121209100 426324841 /nfs/dbraw/zinc/32/48/41/426324841.db2.gz RQNXAEFUJBAONU-CQSZACIVSA-N 0 3 302.397 2.994 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(N3CCCCC3=O)CC2)c1 ZINC000093741757 426358380 /nfs/dbraw/zinc/35/83/80/426358380.db2.gz SAUCHJLZIMNDFD-UHFFFAOYSA-N 0 3 302.418 2.678 20 10 DFCDHN COc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1[O-] ZINC000122100749 426358515 /nfs/dbraw/zinc/35/85/15/426358515.db2.gz XQEBBFHVAINNJZ-UHFFFAOYSA-N 0 3 301.390 2.510 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](COCCOC)C2)c([O-])c1 ZINC000093755290 426358551 /nfs/dbraw/zinc/35/85/51/426358551.db2.gz YZHJAEYCAWGMRR-OAHLLOKOSA-N 0 3 323.433 2.666 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](COCCOC)C2)c([O-])c1 ZINC000093755290 426358552 /nfs/dbraw/zinc/35/85/52/426358552.db2.gz YZHJAEYCAWGMRR-OAHLLOKOSA-N 0 3 323.433 2.666 20 10 DFCDHN CCOC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000186462884 426531477 /nfs/dbraw/zinc/53/14/77/426531477.db2.gz UEBKXQZSVQMVNG-UKRRQHHQSA-N 0 3 305.422 2.634 20 10 DFCDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000186475300 426535328 /nfs/dbraw/zinc/53/53/28/426535328.db2.gz ZZESRQAYGJQHCL-ZDUSSCGKSA-N 0 3 312.797 2.674 20 10 DFCDHN C/C=C/C[C@@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186498134 426539291 /nfs/dbraw/zinc/53/92/91/426539291.db2.gz NZICAOLYHPCDLG-BVWQNDCPSA-N 0 3 322.424 2.640 20 10 DFCDHN C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc(F)ccc1[O-] ZINC000186307782 426502177 /nfs/dbraw/zinc/50/21/77/426502177.db2.gz GWCNTTFPRACPSH-CYBMUJFWSA-N 0 3 316.376 2.541 20 10 DFCDHN CC[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000280079109 426502981 /nfs/dbraw/zinc/50/29/81/426502981.db2.gz LPZKGNQZFMEJDT-INIZCTEOSA-N 0 3 306.450 2.852 20 10 DFCDHN C[C@@]1(C(N)=O)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000280418748 426572333 /nfs/dbraw/zinc/57/23/33/426572333.db2.gz ZATGTEUJJIMDPG-LJQANCHMSA-N 0 3 310.397 2.757 20 10 DFCDHN C[C@@]1(C(N)=O)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000280418748 426572340 /nfs/dbraw/zinc/57/23/40/426572340.db2.gz ZATGTEUJJIMDPG-LJQANCHMSA-N 0 3 310.397 2.757 20 10 DFCDHN C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289542458 426669228 /nfs/dbraw/zinc/66/92/28/426669228.db2.gz IBBJXAYQGWNJFZ-JSGCOSHPSA-N 0 3 307.390 2.636 20 10 DFCDHN C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000289542458 426669233 /nfs/dbraw/zinc/66/92/33/426669233.db2.gz IBBJXAYQGWNJFZ-JSGCOSHPSA-N 0 3 307.390 2.636 20 10 DFCDHN CCc1ccc([C@H](O)C[NH2+]Cc2cc(OC)ccc2[O-])cc1 ZINC000289625948 426670989 /nfs/dbraw/zinc/67/09/89/426670989.db2.gz WQADMHLQJBGKAX-GOSISDBHSA-N 0 3 301.386 2.786 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1[O-] ZINC000289717336 426673418 /nfs/dbraw/zinc/67/34/18/426673418.db2.gz FJJPYDWMXTZWIH-QFBILLFUSA-N 0 3 313.397 2.657 20 10 DFCDHN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000289969694 426676894 /nfs/dbraw/zinc/67/68/94/426676894.db2.gz ZIRNOTWUHACPAG-MRXNPFEDSA-N 0 3 304.434 2.890 20 10 DFCDHN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000289969694 426676898 /nfs/dbraw/zinc/67/68/98/426676898.db2.gz ZIRNOTWUHACPAG-MRXNPFEDSA-N 0 3 304.434 2.890 20 10 DFCDHN [O-]c1ccc(Br)cc1C[NH2+]CCCn1ccnc1 ZINC000227434109 426625412 /nfs/dbraw/zinc/62/54/12/426625412.db2.gz MTDFGWTUEINQRP-UHFFFAOYSA-N 0 3 310.195 2.531 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000281136937 426702792 /nfs/dbraw/zinc/70/27/92/426702792.db2.gz DKOOVDSRDLKOAP-VXGBXAGGSA-N 0 3 309.406 2.703 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000281273626 426708373 /nfs/dbraw/zinc/70/83/73/426708373.db2.gz NXEULQCQHLZAQS-UHFFFAOYSA-N 0 3 307.394 2.746 20 10 DFCDHN CCOc1ccc(O)c(CN2CCCC[C@@H]2COC(=O)NC)c1 ZINC000290169248 426709235 /nfs/dbraw/zinc/70/92/35/426709235.db2.gz MRIKXXOCWNNRCW-CQSZACIVSA-N 0 3 322.405 2.501 20 10 DFCDHN CCCCNC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000179329406 426780370 /nfs/dbraw/zinc/78/03/70/426780370.db2.gz WXUDPZGOYCMMAJ-UHFFFAOYSA-N 0 3 317.477 2.881 20 10 DFCDHN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179581674 426801341 /nfs/dbraw/zinc/80/13/41/426801341.db2.gz CWKYQLXSRYEFNF-AWEZNQCLSA-N 0 3 306.406 2.881 20 10 DFCDHN CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179581674 426801345 /nfs/dbraw/zinc/80/13/45/426801345.db2.gz CWKYQLXSRYEFNF-AWEZNQCLSA-N 0 3 306.406 2.881 20 10 DFCDHN COc1ccc(N2CCN(Cc3ccccc3O)CC2)cc1F ZINC000179585755 426805893 /nfs/dbraw/zinc/80/58/93/426805893.db2.gz BOXBGXZNLHWLQP-UHFFFAOYSA-N 0 3 316.376 2.862 20 10 DFCDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000290629030 426809547 /nfs/dbraw/zinc/80/95/47/426809547.db2.gz XVYPMUUSJRHGRL-ZDUSSCGKSA-N 0 3 315.373 2.798 20 10 DFCDHN CCCCN(Cc1ccccc1O)C(=O)C1CCN(C)CC1 ZINC000282597999 426919743 /nfs/dbraw/zinc/91/97/43/426919743.db2.gz XSNUQMKPSQKAQM-UHFFFAOYSA-N 0 3 304.434 2.863 20 10 DFCDHN Cc1cccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3F)C2)c1[O-] ZINC000291322383 426883551 /nfs/dbraw/zinc/88/35/51/426883551.db2.gz SXZQFJPFBWUGIX-AWEZNQCLSA-N 0 3 314.360 2.735 20 10 DFCDHN Cc1cccc(CN[C@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000291322383 426883555 /nfs/dbraw/zinc/88/35/55/426883555.db2.gz SXZQFJPFBWUGIX-AWEZNQCLSA-N 0 3 314.360 2.735 20 10 DFCDHN CCCC[N@H+](CCCN1CCOCC1)Cc1ccccc1[O-] ZINC000282377339 426894138 /nfs/dbraw/zinc/89/41/38/426894138.db2.gz FRDWHVGIKZBGGB-UHFFFAOYSA-N 0 3 306.450 2.717 20 10 DFCDHN CCCC[N@@H+](CCCN1CCOCC1)Cc1ccccc1[O-] ZINC000282377339 426894146 /nfs/dbraw/zinc/89/41/46/426894146.db2.gz FRDWHVGIKZBGGB-UHFFFAOYSA-N 0 3 306.450 2.717 20 10 DFCDHN C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CCc3cccc([O-])c32)C[C@@H](C)O1 ZINC000295872216 427018850 /nfs/dbraw/zinc/01/88/50/427018850.db2.gz HDVIYBWPKFNXIF-FMKPAKJESA-N 0 3 318.461 2.857 20 10 DFCDHN C[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268798438 427119036 /nfs/dbraw/zinc/11/90/36/427119036.db2.gz CLHOWXWJKJHWSU-ZFWWWQNUSA-N 0 3 319.424 2.697 20 10 DFCDHN [O-]c1cccc(Cl)c1C[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000268970305 427140779 /nfs/dbraw/zinc/14/07/79/427140779.db2.gz MSUDOJCOYRNJLM-RDJZCZTQSA-N 0 3 324.852 2.513 20 10 DFCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000268970305 427140783 /nfs/dbraw/zinc/14/07/83/427140783.db2.gz MSUDOJCOYRNJLM-RDJZCZTQSA-N 0 3 324.852 2.513 20 10 DFCDHN Cc1cc(N2CCC([NH2+][C@@H]3CCc4cccc([O-])c43)CC2)n[nH]1 ZINC000296418258 427174802 /nfs/dbraw/zinc/17/48/02/427174802.db2.gz LGPLUDBKABAUHZ-OAHLLOKOSA-N 0 3 312.417 2.670 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000252733868 427193512 /nfs/dbraw/zinc/19/35/12/427193512.db2.gz SVTULUAIWURACR-CZUORRHYSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000252733868 427193517 /nfs/dbraw/zinc/19/35/17/427193517.db2.gz SVTULUAIWURACR-CZUORRHYSA-N 0 3 301.390 2.680 20 10 DFCDHN CCCCN(Cc1ccnc(OC)n1)Cc1ccccc1O ZINC000296938189 427285151 /nfs/dbraw/zinc/28/51/51/427285151.db2.gz SQXRNRDHZCMGFC-UHFFFAOYSA-N 0 3 301.390 2.993 20 10 DFCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296633968 427226976 /nfs/dbraw/zinc/22/69/76/427226976.db2.gz CMJURJMGKACIIK-CQSZACIVSA-N 0 3 314.385 2.691 20 10 DFCDHN Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296633967 427228203 /nfs/dbraw/zinc/22/82/03/427228203.db2.gz CMJURJMGKACIIK-AWEZNQCLSA-N 0 3 314.385 2.691 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1[O-] ZINC000183406871 427262796 /nfs/dbraw/zinc/26/27/96/427262796.db2.gz GJOHDDASJCBCDI-CYBMUJFWSA-N 0 3 320.824 2.858 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1[O-] ZINC000183406871 427262804 /nfs/dbraw/zinc/26/28/04/427262804.db2.gz GJOHDDASJCBCDI-CYBMUJFWSA-N 0 3 320.824 2.858 20 10 DFCDHN C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccccc1[O-] ZINC000183486041 427277336 /nfs/dbraw/zinc/27/73/36/427277336.db2.gz QYSDZMOQOJLDFE-CQSZACIVSA-N 0 3 314.433 2.994 20 10 DFCDHN C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000183520570 427288533 /nfs/dbraw/zinc/28/85/33/427288533.db2.gz ACKXBULIIKUDEY-CABCVRRESA-N 0 3 304.434 2.544 20 10 DFCDHN Cc1cc([O-])c(C[NH2+]CCCN2CCCO[C@H](C)C2)cc1C ZINC000278057221 427395453 /nfs/dbraw/zinc/39/54/53/427395453.db2.gz YMMJJAFXECHSNC-MRXNPFEDSA-N 0 3 306.450 2.600 20 10 DFCDHN CCCN(CCC)c1ccc(CN[C@]2(CO)CCOC2)cc1 ZINC000184183649 427412287 /nfs/dbraw/zinc/41/22/87/427412287.db2.gz JZBYFZTVDWRVDY-SFHVURJKSA-N 0 3 306.450 2.554 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c([O-])c1 ZINC000270490778 427362260 /nfs/dbraw/zinc/36/22/60/427362260.db2.gz LDHDSNDJWRGXHG-CYBMUJFWSA-N 0 3 307.312 2.584 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@H](CC)[C@H](O)C(F)(F)F)c([O-])c1 ZINC000270773237 427366533 /nfs/dbraw/zinc/36/65/33/427366533.db2.gz ARVNJDYZNOEBDH-OCCSQVGLSA-N 0 3 321.339 2.972 20 10 DFCDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000297674755 427427096 /nfs/dbraw/zinc/42/70/96/427427096.db2.gz LGVRCSAYCWHRST-KGLIPLIRSA-N 0 3 318.417 2.979 20 10 DFCDHN [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCn1cncn1 ZINC000293761250 427428540 /nfs/dbraw/zinc/42/85/40/427428540.db2.gz OYCUNPDGPFHVQV-GOSISDBHSA-N 0 3 322.412 2.947 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1OC ZINC000278337946 427431662 /nfs/dbraw/zinc/43/16/62/427431662.db2.gz HIHBFPOSDDHQMD-HNNXBMFYSA-N 0 3 320.433 2.516 20 10 DFCDHN COc1cccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278416663 427436193 /nfs/dbraw/zinc/43/61/93/427436193.db2.gz QUJWXYRWFKMLFP-SMDDNHRTSA-N 0 3 319.323 2.536 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000278424608 427440327 /nfs/dbraw/zinc/44/03/27/427440327.db2.gz SENXBLARTHWQAA-DZGCQCFKSA-N 0 3 316.367 2.888 20 10 DFCDHN CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccccc1[O-] ZINC000278476813 427442997 /nfs/dbraw/zinc/44/29/97/427442997.db2.gz KFJDHDSYYDFTJB-DOTOQJQBSA-N 0 3 306.450 2.934 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278575952 427445222 /nfs/dbraw/zinc/44/52/22/427445222.db2.gz FDKMEZCCMJIKHV-UHFFFAOYSA-N 0 3 305.418 2.823 20 10 DFCDHN CC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184700326 427521761 /nfs/dbraw/zinc/52/17/61/427521761.db2.gz HFHQYEVXDRNEGP-LBPRGKRZSA-N 0 3 312.841 2.828 20 10 DFCDHN CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000184700326 427521768 /nfs/dbraw/zinc/52/17/68/427521768.db2.gz HFHQYEVXDRNEGP-LBPRGKRZSA-N 0 3 312.841 2.828 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1ccccc1[O-] ZINC000192812024 427615802 /nfs/dbraw/zinc/61/58/02/427615802.db2.gz MQONPHNCGQDWRW-GDBMZVCRSA-N 0 3 312.417 2.892 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000184914599 427562695 /nfs/dbraw/zinc/56/26/95/427562695.db2.gz XLOCIGAAGLWLGC-XHSDSOJGSA-N 0 3 306.450 2.851 20 10 DFCDHN C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(F)ccc1[O-] ZINC000184956052 427569529 /nfs/dbraw/zinc/56/95/29/427569529.db2.gz ZLDKHBWXXZCBOC-LBPRGKRZSA-N 0 3 318.396 2.743 20 10 DFCDHN COCCN(C)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263798861 427575744 /nfs/dbraw/zinc/57/57/44/427575744.db2.gz PNNJQZOPMOZMAG-UHFFFAOYSA-N 0 3 314.429 2.727 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000271717403 427586163 /nfs/dbraw/zinc/58/61/63/427586163.db2.gz IYMFFHDQHSGLQU-LBPRGKRZSA-N 0 3 317.389 2.512 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000271717403 427586169 /nfs/dbraw/zinc/58/61/69/427586169.db2.gz IYMFFHDQHSGLQU-LBPRGKRZSA-N 0 3 317.389 2.512 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000271859800 427592038 /nfs/dbraw/zinc/59/20/38/427592038.db2.gz TUXILZLLODHPSM-PIGZYNQJSA-N 0 3 305.349 2.924 20 10 DFCDHN COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185467619 427656916 /nfs/dbraw/zinc/65/69/16/427656916.db2.gz LAHFZPSUBDJFBI-UGSOOPFHSA-N 0 3 307.434 2.709 20 10 DFCDHN Cc1cc(O)c(CN2CCC[C@@H](OC(=O)N(C)C)C2)cc1C ZINC000294826743 427660944 /nfs/dbraw/zinc/66/09/44/427660944.db2.gz PNUZOMSYLOPHQA-OAHLLOKOSA-N 0 3 306.406 2.672 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCNc2ccccn2)c1 ZINC000185659616 427685337 /nfs/dbraw/zinc/68/53/37/427685337.db2.gz ABIKJDGHIBNVRR-CYBMUJFWSA-N 0 3 301.390 2.949 20 10 DFCDHN CN(C)C(=O)O[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000295108193 427696434 /nfs/dbraw/zinc/69/64/34/427696434.db2.gz LIEMBCKVCRPKFT-AWEZNQCLSA-N 0 3 314.385 2.818 20 10 DFCDHN CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000295108193 427696439 /nfs/dbraw/zinc/69/64/39/427696439.db2.gz LIEMBCKVCRPKFT-AWEZNQCLSA-N 0 3 314.385 2.818 20 10 DFCDHN CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(C)cc1[O-] ZINC000280001710 427727079 /nfs/dbraw/zinc/72/70/79/427727079.db2.gz FZPXGDIUQUPQSZ-KRWDZBQOSA-N 0 3 304.434 3.000 20 10 DFCDHN CC[C@H](c1ccccc1O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000370223764 428162205 /nfs/dbraw/zinc/16/22/05/428162205.db2.gz DZSHOUUPSJTXQY-SJLPKXTDSA-N 0 3 315.417 2.824 20 10 DFCDHN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(Cl)ccc1[O-] ZINC000371471469 428391707 /nfs/dbraw/zinc/39/17/07/428391707.db2.gz UQKOMSYHSRIHRD-HLLBOEOZSA-N 0 3 324.852 2.729 20 10 DFCDHN COc1ccc(N2CCC(N(C)Cc3ccnn3C)CC2)cc1 ZINC000371338373 428382678 /nfs/dbraw/zinc/38/26/78/428382678.db2.gz BMHHUHXXPDQGFM-UHFFFAOYSA-N 0 3 314.433 2.530 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000373225545 428524465 /nfs/dbraw/zinc/52/44/65/428524465.db2.gz AOQDRUNPRINYAB-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000373225545 428524470 /nfs/dbraw/zinc/52/44/70/428524470.db2.gz AOQDRUNPRINYAB-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN CC[C@@H]1CN(Cc2cccc(C)c2O)C[C@]2(CCCOC2)O1 ZINC000373470947 428585314 /nfs/dbraw/zinc/58/53/14/428585314.db2.gz UYRJKEOYZOUNQP-AEFFLSMTSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@@H]1C[N@H+](Cc2cccc(C)c2[O-])C[C@]2(CCCOC2)O1 ZINC000373470947 428585318 /nfs/dbraw/zinc/58/53/18/428585318.db2.gz UYRJKEOYZOUNQP-AEFFLSMTSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@@H]1C[N@@H+](Cc2cccc(C)c2[O-])C[C@]2(CCCOC2)O1 ZINC000373470947 428585320 /nfs/dbraw/zinc/58/53/20/428585320.db2.gz UYRJKEOYZOUNQP-AEFFLSMTSA-N 0 3 305.418 2.861 20 10 DFCDHN CN(C)c1ccc(CN2CC(C)(C)O[C@]3(CCCOC3)C2)cc1 ZINC000373605132 428617355 /nfs/dbraw/zinc/61/73/55/428617355.db2.gz VQZQDDYYFYOTPH-LJQANCHMSA-N 0 3 318.461 2.913 20 10 DFCDHN CC[C@@H]([NH2+][C@H]1CCc2nnc(C)n2C1)c1ccc(C)cc1[O-] ZINC000373853000 428652808 /nfs/dbraw/zinc/65/28/08/428652808.db2.gz WPFINXCKAFCLDO-DZGCQCFKSA-N 0 3 300.406 2.656 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)cc1C ZINC000374141162 428664928 /nfs/dbraw/zinc/66/49/28/428664928.db2.gz DTBSHMHIGFGRHA-MRXNPFEDSA-N 0 3 312.417 2.558 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCCN2Cc2ccc(N(C)C)cc2)n1 ZINC000374254981 428670047 /nfs/dbraw/zinc/67/00/47/428670047.db2.gz HVNFCMNBXOMZJU-GOSISDBHSA-N 0 3 313.449 2.626 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)c1ccccc1[O-] ZINC000374673768 428727919 /nfs/dbraw/zinc/72/79/19/428727919.db2.gz AYJDIHOAJNJKJR-MUQADHOPSA-N 0 3 318.461 2.932 20 10 DFCDHN Cc1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000363854590 429000927 /nfs/dbraw/zinc/00/09/27/429000927.db2.gz MIGAJUTWIHJJEK-GXTWGEPZSA-N 0 3 300.406 2.575 20 10 DFCDHN COc1cc(O)c(CN2CCOCC3(CCCC3)C2)cc1OC ZINC000364286299 429176496 /nfs/dbraw/zinc/17/64/96/429176496.db2.gz BDTRRVMWFDEEDB-UHFFFAOYSA-N 0 3 321.417 2.802 20 10 DFCDHN COc1cc(O)c(CN2CCC[C@]3(CCCCO3)C2)cc1OC ZINC000365737388 429365409 /nfs/dbraw/zinc/36/54/09/429365409.db2.gz PMZIDRCERIGJQF-GOSISDBHSA-N 0 3 321.417 2.945 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCCCO3)C2)cc1OC ZINC000365737388 429365415 /nfs/dbraw/zinc/36/54/15/429365415.db2.gz PMZIDRCERIGJQF-GOSISDBHSA-N 0 3 321.417 2.945 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@]3(CCCCO3)C2)cc1OC ZINC000365737388 429365416 /nfs/dbraw/zinc/36/54/16/429365416.db2.gz PMZIDRCERIGJQF-GOSISDBHSA-N 0 3 321.417 2.945 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H](n3cccn3)C2)c1O ZINC000365846357 429386243 /nfs/dbraw/zinc/38/62/43/429386243.db2.gz IFIIJGBUXZZBOC-CYBMUJFWSA-N 0 3 307.781 2.698 20 10 DFCDHN CC(C)c1nnc2n1C[C@@H]([NH2+][C@H]1CCc3cccc([O-])c31)CC2 ZINC000296781439 275776854 /nfs/dbraw/zinc/77/68/54/275776854.db2.gz KUGVZSKOHIZYPZ-KBPBESRZSA-N 0 3 312.417 2.699 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1[O-] ZINC000367699281 429703643 /nfs/dbraw/zinc/70/36/43/429703643.db2.gz HLYSVYUPVNCCFA-CQSZACIVSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1[O-] ZINC000367699281 429703645 /nfs/dbraw/zinc/70/36/45/429703645.db2.gz HLYSVYUPVNCCFA-CQSZACIVSA-N 0 3 301.390 2.514 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1[O-] ZINC000367803077 429720436 /nfs/dbraw/zinc/72/04/36/429720436.db2.gz QSWHEHPQJSLRJG-GOEBONIOSA-N 0 3 310.397 2.844 20 10 DFCDHN CCOc1ccc(C[NH2+]CCc2ccc(OC)nc2)c([O-])c1 ZINC000527792585 429798852 /nfs/dbraw/zinc/79/88/52/429798852.db2.gz CVOXKHBDRGGGEK-UHFFFAOYSA-N 0 3 302.374 2.527 20 10 DFCDHN CCOc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)c([O-])c1 ZINC000527804750 429801528 /nfs/dbraw/zinc/80/15/28/429801528.db2.gz BARIRJXMSIBWFJ-INIZCTEOSA-N 0 3 304.434 2.897 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCN2C2CCCC2)c1 ZINC000527808011 429803229 /nfs/dbraw/zinc/80/32/29/429803229.db2.gz PAJJCHDSYJFOAN-MRXNPFEDSA-N 0 3 304.434 2.897 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C23CCC3)cc1OC ZINC000368033591 429772075 /nfs/dbraw/zinc/77/20/75/429772075.db2.gz GTIALFLKLRGMNK-YMRXKLBXSA-N 0 3 321.417 2.703 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368041405 429774078 /nfs/dbraw/zinc/77/40/78/429774078.db2.gz KWJQDDFFUANORY-XJKSGUPXSA-N 0 3 312.417 3.095 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368041405 429774080 /nfs/dbraw/zinc/77/40/80/429774080.db2.gz KWJQDDFFUANORY-XJKSGUPXSA-N 0 3 312.417 3.095 20 10 DFCDHN CCOCc1cc(CN[C@@]23C[C@@H]2COC3(C)C)ccc1OC ZINC000527767431 429795258 /nfs/dbraw/zinc/79/52/58/429795258.db2.gz UZDQSYCFUHDMOK-QAPCUYQASA-N 0 3 305.418 2.889 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c([O-])c1C ZINC000368325006 429831934 /nfs/dbraw/zinc/83/19/34/429831934.db2.gz WPVCWTXXWAVNEF-ARFHVFGLSA-N 0 3 304.434 2.523 20 10 DFCDHN CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000368823810 429896859 /nfs/dbraw/zinc/89/68/59/429896859.db2.gz JGRUVQWOLYSHDV-UONOGXRCSA-N 0 3 314.433 2.829 20 10 DFCDHN COc1cccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278415527 278010364 /nfs/dbraw/zinc/01/03/64/278010364.db2.gz QUJWXYRWFKMLFP-BXUZGUMPSA-N 0 3 319.323 2.536 20 10 DFCDHN O=C(c1cccc2c1CCNC2)N1CCOc2cc(F)ccc21 ZINC000662608901 431133052 /nfs/dbraw/zinc/13/30/52/431133052.db2.gz RWHVUHHYNCKJLW-UHFFFAOYSA-N 0 3 312.344 2.511 20 10 DFCDHN C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000273483371 290036924 /nfs/dbraw/zinc/03/69/24/290036924.db2.gz MSLBLAKTXYTKLD-XLWVJDPXSA-N 0 3 319.376 2.667 20 10 DFCDHN C[C@H](NCc1ccc2c(c1)CCO2)c1ccc(NC(N)=O)cc1 ZINC000126992203 331999015 /nfs/dbraw/zinc/99/90/15/331999015.db2.gz UZWTXVOTRFOTEC-LBPRGKRZSA-N 0 3 311.385 2.963 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000293946109 335116151 /nfs/dbraw/zinc/11/61/51/335116151.db2.gz ILYFMKAWJUPYPG-ZDUSSCGKSA-N 0 3 314.223 2.810 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000293946109 335116152 /nfs/dbraw/zinc/11/61/52/335116152.db2.gz ILYFMKAWJUPYPG-ZDUSSCGKSA-N 0 3 314.223 2.810 20 10 DFCDHN CCOc1cccc(C[N@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000294045368 335119695 /nfs/dbraw/zinc/11/96/95/335119695.db2.gz WONZPORBZVCSOX-QGZVFWFLSA-N 0 3 315.413 2.826 20 10 DFCDHN CCOc1cccc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)c1[O-] ZINC000294045368 335119696 /nfs/dbraw/zinc/11/96/96/335119696.db2.gz WONZPORBZVCSOX-QGZVFWFLSA-N 0 3 315.413 2.826 20 10 DFCDHN O=C1C[C@H](C[NH2+]Cc2ccccc2[O-])CN1Cc1ccccc1 ZINC000179061745 333146186 /nfs/dbraw/zinc/14/61/86/333146186.db2.gz OXWHZTHMJJSYST-MRXNPFEDSA-N 0 3 310.397 2.531 20 10 DFCDHN C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc2c(cc1[O-])CCCC2 ZINC000185639040 333211256 /nfs/dbraw/zinc/21/12/56/333211256.db2.gz PRZSGRKQLYNXRG-SJCJKPOMSA-N 0 3 307.459 2.790 20 10 DFCDHN CN(Cc1cccs1)c1ccc(CN[C@H]2C[C@@H](O)C2)cc1 ZINC000294880049 335128551 /nfs/dbraw/zinc/12/85/51/335128551.db2.gz PZHYDELPNMHZOS-FZNQNYSPSA-N 0 3 302.443 2.997 20 10 DFCDHN COc1cccc(CNCc2cnc(OC)c(Cl)c2)c1O ZINC000294930765 335128965 /nfs/dbraw/zinc/12/89/65/335128965.db2.gz GGCHHWSUJTZMHT-UHFFFAOYSA-N 0 3 308.765 2.748 20 10 DFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000296103117 335141682 /nfs/dbraw/zinc/14/16/82/335141682.db2.gz YWURKRCFADNUJS-IEBDPFPHSA-N 0 3 300.196 2.637 20 10 DFCDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1Cc1ccccc1 ZINC000296964155 335150437 /nfs/dbraw/zinc/15/04/37/335150437.db2.gz RHQCJLJGXMDYMT-IRXDYDNUSA-N 0 3 322.408 2.770 20 10 DFCDHN C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(F)ccc1[O-] ZINC000297340843 335153291 /nfs/dbraw/zinc/15/32/91/335153291.db2.gz OMRDCCODMOKOJK-IAQYHMDHSA-N 0 3 307.340 2.925 20 10 DFCDHN Cc1nc([C@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n[nH]1 ZINC000271384513 334022409 /nfs/dbraw/zinc/02/24/09/334022409.db2.gz RWHNTBKHLUBWBE-AWEZNQCLSA-N 0 3 317.412 2.698 20 10 DFCDHN Cc1n[nH]c([C@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000271384513 334022410 /nfs/dbraw/zinc/02/24/10/334022410.db2.gz RWHNTBKHLUBWBE-AWEZNQCLSA-N 0 3 317.412 2.698 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1 ZINC000283018060 334138703 /nfs/dbraw/zinc/13/87/03/334138703.db2.gz MABHLDQVEGDJKW-SFHVURJKSA-N 0 3 301.386 2.841 20 10 DFCDHN CO[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000295066221 334216763 /nfs/dbraw/zinc/21/67/63/334216763.db2.gz ROMBLYZPWDKADG-ACJLOTCBSA-N 0 3 322.424 2.738 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@H](OC)C(C)(C)C2)cc1OC ZINC000295081685 334217854 /nfs/dbraw/zinc/21/78/54/334217854.db2.gz SCXAOUAULQQJOM-INIZCTEOSA-N 0 3 309.406 2.656 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)cc1OC ZINC000295081685 334217856 /nfs/dbraw/zinc/21/78/56/334217856.db2.gz SCXAOUAULQQJOM-INIZCTEOSA-N 0 3 309.406 2.656 20 10 DFCDHN COc1cc(O)c(CN2CC[C@H](OC)C(C)(C)C2)cc1OC ZINC000295081685 334217858 /nfs/dbraw/zinc/21/78/58/334217858.db2.gz SCXAOUAULQQJOM-INIZCTEOSA-N 0 3 309.406 2.656 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000192712942 336258999 /nfs/dbraw/zinc/25/89/99/336258999.db2.gz RFLMBGLHNAEGHW-CQSZACIVSA-N 0 3 312.417 2.810 20 10 DFCDHN CCn1ncc2c1CCC[C@H]2NCc1cc2c(cc1O)OCO2 ZINC000368695029 336851036 /nfs/dbraw/zinc/85/10/36/336851036.db2.gz QTHHHYBEMOFKOH-CYBMUJFWSA-N 0 3 315.373 2.505 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000371515296 336906895 /nfs/dbraw/zinc/90/68/95/336906895.db2.gz VCLGFSOLQCAIQR-GOEBONIOSA-N 0 3 311.809 2.782 20 10 DFCDHN COc1cc(O)c(CN2CCCO[C@@H]3CCC[C@@H]32)cc1OC ZINC000375023422 337001783 /nfs/dbraw/zinc/00/17/83/337001783.db2.gz UPFQPHLIIPEGNJ-DZGCQCFKSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1OC ZINC000375023422 337001784 /nfs/dbraw/zinc/00/17/84/337001784.db2.gz UPFQPHLIIPEGNJ-DZGCQCFKSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1OC ZINC000375023422 337001785 /nfs/dbraw/zinc/00/17/85/337001785.db2.gz UPFQPHLIIPEGNJ-DZGCQCFKSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2Cc3ccccc3N(C)C2)c1 ZINC000375346199 337008690 /nfs/dbraw/zinc/00/86/90/337008690.db2.gz YILSBSPGNAEXFN-CQSZACIVSA-N 0 3 312.413 2.799 20 10 DFCDHN COc1cccc(CN2CCC[C@@H]2c2cn(C)nc2C)c1O ZINC000375842992 337020991 /nfs/dbraw/zinc/02/09/91/337020991.db2.gz AEZLJMDLWVGQCS-OAHLLOKOSA-N 0 3 301.390 2.780 20 10 DFCDHN CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])CC2 ZINC000375851590 337021418 /nfs/dbraw/zinc/02/14/18/337021418.db2.gz UYCAAFBKOUVMAU-OLZOCXBDSA-N 0 3 300.406 2.520 20 10 DFCDHN CCc1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])CC2 ZINC000375853399 337021496 /nfs/dbraw/zinc/02/14/96/337021496.db2.gz YZEPXCKBIZIDEI-OLZOCXBDSA-N 0 3 300.406 2.520 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1 ZINC000377539240 337054532 /nfs/dbraw/zinc/05/45/32/337054532.db2.gz CMCYMOMCISBGKN-IYPIGGPWSA-N 0 3 321.417 2.730 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000377684886 337058365 /nfs/dbraw/zinc/05/83/65/337058365.db2.gz YPFCSYKDVVQCEZ-YJBOKZPZSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000377684886 337058366 /nfs/dbraw/zinc/05/83/66/337058366.db2.gz YPFCSYKDVVQCEZ-YJBOKZPZSA-N 0 3 302.418 2.788 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378380719 337071314 /nfs/dbraw/zinc/07/13/14/337071314.db2.gz VTNUMFSSWCMODK-FUHWJXTLSA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 ZINC000378380719 337071315 /nfs/dbraw/zinc/07/13/15/337071315.db2.gz VTNUMFSSWCMODK-FUHWJXTLSA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378380721 337071389 /nfs/dbraw/zinc/07/13/89/337071389.db2.gz VTNUMFSSWCMODK-WMZOPIPTSA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378380721 337071390 /nfs/dbraw/zinc/07/13/90/337071390.db2.gz VTNUMFSSWCMODK-WMZOPIPTSA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)NC3CC3)CC2)c1[O-] ZINC000378439884 337072833 /nfs/dbraw/zinc/07/28/33/337072833.db2.gz WPGFZEYFXJSORA-UHFFFAOYSA-N 0 3 322.836 2.845 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000378490570 337074184 /nfs/dbraw/zinc/07/41/84/337074184.db2.gz DUGMVCQJTJUUAB-JKSUJKDBSA-N 0 3 306.381 2.507 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000378490570 337074185 /nfs/dbraw/zinc/07/41/85/337074185.db2.gz DUGMVCQJTJUUAB-JKSUJKDBSA-N 0 3 306.381 2.507 20 10 DFCDHN O=C(Nc1cccnc1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000360055689 337084386 /nfs/dbraw/zinc/08/43/86/337084386.db2.gz DRSQKBQZSCISTN-UHFFFAOYSA-N 0 3 311.385 2.638 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179465738 337169557 /nfs/dbraw/zinc/16/95/57/337169557.db2.gz COLVUIVAAREVMC-HNNXBMFYSA-N 0 3 308.385 2.974 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179465738 337169558 /nfs/dbraw/zinc/16/95/58/337169558.db2.gz COLVUIVAAREVMC-HNNXBMFYSA-N 0 3 308.385 2.974 20 10 DFCDHN O=C1OCCN1c1cccc2c1CC[N@@H+](Cc1ccccc1[O-])C2 ZINC000179581430 337170347 /nfs/dbraw/zinc/17/03/47/337170347.db2.gz QNJIFPCKVBASKB-UHFFFAOYSA-N 0 3 324.380 2.907 20 10 DFCDHN O=C1OCCN1c1cccc2c1CC[N@H+](Cc1ccccc1[O-])C2 ZINC000179581430 337170348 /nfs/dbraw/zinc/17/03/48/337170348.db2.gz QNJIFPCKVBASKB-UHFFFAOYSA-N 0 3 324.380 2.907 20 10 DFCDHN C[C@H](CCN(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227441940 337205162 /nfs/dbraw/zinc/20/51/62/337205162.db2.gz DXKOQTQJGMNJMQ-SNVBAGLBSA-N 0 3 301.228 2.585 20 10 DFCDHN COc1ccc(N2CCCN(C[C@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000188571806 337274123 /nfs/dbraw/zinc/27/41/23/337274123.db2.gz XDHQBEGDYJOMIB-CRAIPNDOSA-N 0 3 304.434 2.775 20 10 DFCDHN CN(C)c1ccc(CN[C@]2(CO)CCc3ccccc32)cc1F ZINC000135909201 337453128 /nfs/dbraw/zinc/45/31/28/337453128.db2.gz LBCZZOOQXFOKCO-IBGZPJMESA-N 0 3 314.404 2.815 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)CC2 ZINC000527934547 337776885 /nfs/dbraw/zinc/77/68/85/337776885.db2.gz ROWZYZAORSPAPR-AAEUAGOBSA-N 0 3 311.307 2.969 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000089726486 500853725 /nfs/dbraw/zinc/85/37/25/500853725.db2.gz VBQKBSXKDRFSHE-UHFFFAOYSA-N 0 3 319.430 2.616 20 10 DFCDHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1c(C)cc(C)cc1[O-])CC2 ZINC000284042902 518193119 /nfs/dbraw/zinc/19/31/19/518193119.db2.gz JYDXYYVXWRLPFF-GXTWGEPZSA-N 0 3 300.406 2.575 20 10 DFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C ZINC000264964666 519655169 /nfs/dbraw/zinc/65/51/69/519655169.db2.gz BCKOOOJXAHKPHC-KRWDZBQOSA-N 0 3 303.450 2.584 20 10 DFCDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000189402157 520201639 /nfs/dbraw/zinc/20/16/39/520201639.db2.gz GWURXRTYSGVEOV-CHWSQXEVSA-N 0 3 304.434 2.788 20 10 DFCDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000189402157 520201645 /nfs/dbraw/zinc/20/16/45/520201645.db2.gz GWURXRTYSGVEOV-CHWSQXEVSA-N 0 3 304.434 2.788 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@]3(CNC(=O)O3)C2)cc1 ZINC000364884831 520892763 /nfs/dbraw/zinc/89/27/63/520892763.db2.gz DCSAVZFFNZTYLM-SFHVURJKSA-N 0 3 317.433 2.607 20 10 DFCDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(OCC)ccc2[O-])C1 ZINC000125929545 521141170 /nfs/dbraw/zinc/14/11/70/521141170.db2.gz BOBLHLNFERJQTK-OCCSQVGLSA-N 0 3 307.390 2.612 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000180131355 521143671 /nfs/dbraw/zinc/14/36/71/521143671.db2.gz FHPSZBZYXWSSPA-MRXNPFEDSA-N 0 3 315.417 2.960 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000180131355 521143680 /nfs/dbraw/zinc/14/36/80/521143680.db2.gz FHPSZBZYXWSSPA-MRXNPFEDSA-N 0 3 315.417 2.960 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c1 ZINC000237045806 521151982 /nfs/dbraw/zinc/15/19/82/521151982.db2.gz CWHROVZTVNGLGM-GOSISDBHSA-N 0 3 301.386 2.923 20 10 DFCDHN COC[C@@](C)(CCO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000267409277 522524109 /nfs/dbraw/zinc/52/41/09/522524109.db2.gz ZFGYVBAPILJZIB-LJQANCHMSA-N 0 3 315.413 2.936 20 10 DFCDHN CC[C@](C)(O)C[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000182440601 523508580 /nfs/dbraw/zinc/50/85/80/523508580.db2.gz XBHILVAHNNZCGW-ZDUSSCGKSA-N 0 3 302.212 2.714 20 10 DFCDHN CN1C(=O)C[C@H]([NH2+]Cc2ccccc2[O-])[C@H]1c1ccc(F)cc1 ZINC000120005279 523711891 /nfs/dbraw/zinc/71/18/91/523711891.db2.gz UISWYQSYUHMQHF-MAUKXSAKSA-N 0 3 314.360 2.593 20 10 DFCDHN COCCOC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000180526472 524022361 /nfs/dbraw/zinc/02/23/61/524022361.db2.gz FBNKTWSNENPFGL-CYBMUJFWSA-N 0 3 313.825 2.839 20 10 DFCDHN COCCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000180526472 524022365 /nfs/dbraw/zinc/02/23/65/524022365.db2.gz FBNKTWSNENPFGL-CYBMUJFWSA-N 0 3 313.825 2.839 20 10 DFCDHN COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(OC)ccc2[O-])c1 ZINC000182465345 524167002 /nfs/dbraw/zinc/16/70/02/524167002.db2.gz DKXPHIGXSVLFOD-KZULUSFZSA-N 0 3 317.385 2.794 20 10 DFCDHN COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185419982 524167061 /nfs/dbraw/zinc/16/70/61/524167061.db2.gz DDQHJVCQGPJVKQ-APPDUMDISA-N 0 3 305.349 2.924 20 10 DFCDHN COc1ccc(N2CCC(N[C@@H](C)c3cnn(C)c3)CC2)cc1 ZINC000157405303 524403309 /nfs/dbraw/zinc/40/33/09/524403309.db2.gz DLJDFYVYHWBMQK-AWEZNQCLSA-N 0 3 314.433 2.748 20 10 DFCDHN C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000180145039 524436255 /nfs/dbraw/zinc/43/62/55/524436255.db2.gz CYZCUEOYQNBYFE-LLVKDONJSA-N 0 3 312.385 2.876 20 10 DFCDHN C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000180145039 524436261 /nfs/dbraw/zinc/43/62/61/524436261.db2.gz CYZCUEOYQNBYFE-LLVKDONJSA-N 0 3 312.385 2.876 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000182387798 524772306 /nfs/dbraw/zinc/77/23/06/524772306.db2.gz YGYYKKAZRLTJMF-GTNSWQLSSA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000180655631 524865661 /nfs/dbraw/zinc/86/56/61/524865661.db2.gz WJKHDVJEUDEWSM-XJKSGUPXSA-N 0 3 324.852 2.507 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](N3CCOCC3)C2)c1[O-] ZINC000180655631 524865671 /nfs/dbraw/zinc/86/56/71/524865671.db2.gz WJKHDVJEUDEWSM-XJKSGUPXSA-N 0 3 324.852 2.507 20 10 DFCDHN C[C@H](NC[C@@H]1CCCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000156451021 525386959 /nfs/dbraw/zinc/38/69/59/525386959.db2.gz GLINZNJRGXWMTP-HOCLYGCPSA-N 0 3 322.424 2.882 20 10 DFCDHN C[C@@H](NCc1ccc2c(c1)CCO2)[C@H](O)c1cccc(F)c1 ZINC000267160763 525530911 /nfs/dbraw/zinc/53/09/11/525530911.db2.gz FUHZRSYYXOGPLI-XIKOKIGWSA-N 0 3 301.361 2.972 20 10 DFCDHN COc1ccc2c(c1)[C@H](N)CCN2C(=O)/C=C/c1cccnc1 ZINC000365493986 525585629 /nfs/dbraw/zinc/58/56/29/525585629.db2.gz PUGVVBYALJSMKJ-IEXSPKMKSA-N 0 3 309.369 2.540 20 10 DFCDHN COc1cccc(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1[O-] ZINC000267184864 526037139 /nfs/dbraw/zinc/03/71/39/526037139.db2.gz LCDSMFMNTVSFLH-BDJLRTHQSA-N 0 3 305.349 2.752 20 10 DFCDHN O=C(C1CC[NH+](Cc2cc(F)ccc2[O-])CC1)N1CCCCC1 ZINC000179886933 526302993 /nfs/dbraw/zinc/30/29/93/526302993.db2.gz ISRYWWYSZRVLFP-UHFFFAOYSA-N 0 3 320.408 2.756 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000180042623 526350176 /nfs/dbraw/zinc/35/01/76/526350176.db2.gz PQISNTKYPXYPED-ZDUSSCGKSA-N 0 3 301.365 2.860 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000180042623 526350180 /nfs/dbraw/zinc/35/01/80/526350180.db2.gz PQISNTKYPXYPED-ZDUSSCGKSA-N 0 3 301.365 2.860 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000180115086 526762894 /nfs/dbraw/zinc/76/28/94/526762894.db2.gz KLVKOUZNTDOZBB-AWEZNQCLSA-N 0 3 318.396 2.652 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)n1 ZINC000180115086 526762899 /nfs/dbraw/zinc/76/28/99/526762899.db2.gz KLVKOUZNTDOZBB-AWEZNQCLSA-N 0 3 318.396 2.652 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285356970 535751975 /nfs/dbraw/zinc/75/19/75/535751975.db2.gz BCCWRYUGOUNKIG-RHSMWYFYSA-N 0 3 320.433 2.574 20 10 DFCDHN CN(C)Cc1ccc(C(=O)NCc2ccc3c(c2)CCN3C)cc1 ZINC000366648575 535998943 /nfs/dbraw/zinc/99/89/43/535998943.db2.gz ZDNWHEQIPPKNEO-UHFFFAOYSA-N 0 3 323.440 2.671 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286263374 536148176 /nfs/dbraw/zinc/14/81/76/536148176.db2.gz BBCHTKANBMTUJH-DZGCQCFKSA-N 0 3 316.367 2.745 20 10 DFCDHN COCCOc1ncccc1CN[C@@H](C)c1ccccc1O ZINC000272795683 536743091 /nfs/dbraw/zinc/74/30/91/536743091.db2.gz ANHPOWCHMFNOGZ-ZDUSSCGKSA-N 0 3 302.374 2.663 20 10 DFCDHN COc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1[O-] ZINC000092810486 185342815 /nfs/dbraw/zinc/34/28/15/185342815.db2.gz TXQTXGKDGUUROV-UHFFFAOYSA-N 0 3 301.390 2.514 20 10 DFCDHN C[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000066863486 398403541 /nfs/dbraw/zinc/40/35/41/398403541.db2.gz WWFDVQRSSRAZIZ-HNNXBMFYSA-N 0 3 303.450 2.585 20 10 DFCDHN COc1ccccc1CN(CCO)Cc1cc(C)ccc1O ZINC000091790662 398545982 /nfs/dbraw/zinc/54/59/82/398545982.db2.gz DVFQTOGZHKCMIZ-UHFFFAOYSA-N 0 3 301.386 2.704 20 10 DFCDHN COc1cccc(CN(CCCO)Cc2ccccc2)c1O ZINC000093102167 398620444 /nfs/dbraw/zinc/62/04/44/398620444.db2.gz GWRFYAOZKRCTAL-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN COc1cccc(C[N@H+](CCCO)Cc2ccccc2)c1[O-] ZINC000093102167 398620447 /nfs/dbraw/zinc/62/04/47/398620447.db2.gz GWRFYAOZKRCTAL-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN COc1cccc(C[N@@H+](CCCO)Cc2ccccc2)c1[O-] ZINC000093102167 398620450 /nfs/dbraw/zinc/62/04/50/398620450.db2.gz GWRFYAOZKRCTAL-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000093513133 398639941 /nfs/dbraw/zinc/63/99/41/398639941.db2.gz SRGXEDYSOXBWRQ-UHFFFAOYSA-N 0 3 324.852 2.732 20 10 DFCDHN [O-]c1ccc(Cl)cc1CN1CCC[N@H+](C2CCOCC2)CC1 ZINC000093513133 398639946 /nfs/dbraw/zinc/63/99/46/398639946.db2.gz SRGXEDYSOXBWRQ-UHFFFAOYSA-N 0 3 324.852 2.732 20 10 DFCDHN CCOc1cccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC000236921057 202072513 /nfs/dbraw/zinc/07/25/13/202072513.db2.gz ZZYFFJYKUCWFAT-UHFFFAOYSA-N 0 3 320.433 2.528 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1[O-] ZINC000091832631 193114048 /nfs/dbraw/zinc/11/40/48/193114048.db2.gz CTPQRRNAWHYTIS-AWEZNQCLSA-N 0 3 317.389 2.862 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c1[O-] ZINC000091832631 193114050 /nfs/dbraw/zinc/11/40/50/193114050.db2.gz CTPQRRNAWHYTIS-AWEZNQCLSA-N 0 3 317.389 2.862 20 10 DFCDHN COC[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000280964130 285223077 /nfs/dbraw/zinc/22/30/77/285223077.db2.gz KUGPSPFEFNYDHI-DOTOQJQBSA-N 0 3 306.450 2.725 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)CC2 ZINC000295950187 285396878 /nfs/dbraw/zinc/39/68/78/285396878.db2.gz LLKXMAWZWGFFPE-KRWDZBQOSA-N 0 3 320.396 2.809 20 10 DFCDHN C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccccc1[O-] ZINC000272900298 130072139 /nfs/dbraw/zinc/07/21/39/130072139.db2.gz UYBXQDUZOVIEAD-CQSZACIVSA-N 0 3 319.426 2.658 20 10 DFCDHN Cc1ccncc1/C=C/C(=O)N(CCN(C)C)c1ccccc1 ZINC000272994435 130079902 /nfs/dbraw/zinc/07/99/02/130079902.db2.gz YAKMSMPOZVDQGJ-MDZDMXLPSA-N 0 3 309.413 2.998 20 10 DFCDHN C[C@H](C[S@](C)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000273077324 130088573 /nfs/dbraw/zinc/08/85/73/130088573.db2.gz PRWXLQRHZROZHO-ASSNKEHSSA-N 0 3 303.427 2.916 20 10 DFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CCN(C)CC1 ZINC000273213933 130097961 /nfs/dbraw/zinc/09/79/61/130097961.db2.gz LVDZHNWNMZUPSZ-UHFFFAOYSA-N 0 3 317.477 2.833 20 10 DFCDHN CC[C@H](N[C@@H](C)c1cc(OC)ccc1O)[C@H](O)C(F)(F)F ZINC000273343631 130109206 /nfs/dbraw/zinc/10/92/06/130109206.db2.gz ABSUQMJADAXJMM-QWRKXWFKSA-N 0 3 307.312 2.753 20 10 DFCDHN COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000273438731 130122068 /nfs/dbraw/zinc/12/20/68/130122068.db2.gz MLFFAXBDCIFMNM-GUYCJALGSA-N 0 3 307.390 2.612 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000273467858 130125246 /nfs/dbraw/zinc/12/52/46/130125246.db2.gz FBWMRQUOPKFTLR-SOUVJXGZSA-N 0 3 304.434 2.998 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000273470877 130125323 /nfs/dbraw/zinc/12/53/23/130125323.db2.gz JTCYQKFUGCNLTK-JSGCOSHPSA-N 0 3 307.390 2.737 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)c1 ZINC000273539574 130133591 /nfs/dbraw/zinc/13/35/91/130133591.db2.gz YBANJHQBBVDFQJ-WFASDCNBSA-N 0 3 319.376 2.794 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000273576810 130139993 /nfs/dbraw/zinc/13/99/93/130139993.db2.gz LXPHLEVGXZXEMC-MJBXVCDLSA-N 0 3 320.433 2.698 20 10 DFCDHN C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cc(F)ccc1[O-] ZINC000273598165 130141926 /nfs/dbraw/zinc/14/19/26/130141926.db2.gz RFGOKZWDXVAJFN-AWEZNQCLSA-N 0 3 322.424 2.827 20 10 DFCDHN CCOC(=O)C[C@@](C)([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000274781269 130260631 /nfs/dbraw/zinc/26/06/31/130260631.db2.gz VQKQYBPDEYJBKP-QGZVFWFLSA-N 0 3 323.389 2.578 20 10 DFCDHN CC[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccccc1[O-] ZINC000274921010 130275142 /nfs/dbraw/zinc/27/51/42/130275142.db2.gz PBKFNYUHIKNPGJ-AYBZRNKSSA-N 0 3 315.413 2.918 20 10 DFCDHN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000275716954 130371012 /nfs/dbraw/zinc/37/10/12/130371012.db2.gz YRQIMOFJPLTFFI-YJBOKZPZSA-N 0 3 315.417 2.671 20 10 DFCDHN CC(C)(C)[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000283993579 131039220 /nfs/dbraw/zinc/03/92/20/131039220.db2.gz MYZMCLZWEUMBJI-NVXWUHKLSA-N 0 3 307.434 2.780 20 10 DFCDHN CC(C)(C)[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000283993579 131039221 /nfs/dbraw/zinc/03/92/21/131039221.db2.gz MYZMCLZWEUMBJI-NVXWUHKLSA-N 0 3 307.434 2.780 20 10 DFCDHN COCCN1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])CC1 ZINC000284045183 131043079 /nfs/dbraw/zinc/04/30/79/131043079.db2.gz KAAXLUHMKFTXJH-HNNXBMFYSA-N 0 3 306.450 2.770 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)c([O-])c1 ZINC000284151243 131053592 /nfs/dbraw/zinc/05/35/92/131053592.db2.gz PHAOXHGQNAJQQW-HNNXBMFYSA-N 0 3 306.450 2.770 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c([O-])c1C ZINC000284368501 131074711 /nfs/dbraw/zinc/07/47/11/131074711.db2.gz ODIPSDXSQLJKFU-OFQRWUPVSA-N 0 3 309.450 2.818 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1[O-] ZINC000286820127 131251337 /nfs/dbraw/zinc/25/13/37/131251337.db2.gz KIJBQRGQLLBCIA-SJKOYZFVSA-N 0 3 320.408 2.793 20 10 DFCDHN COc1cccc(CN2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000289179815 131363449 /nfs/dbraw/zinc/36/34/49/131363449.db2.gz AIBVQOXJVZRQLM-CQSZACIVSA-N 0 3 321.417 2.955 20 10 DFCDHN C[C@H](CO)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000289183234 131364061 /nfs/dbraw/zinc/36/40/61/131364061.db2.gz ASGWUNSLFUKAOP-CQSZACIVSA-N 0 3 301.386 2.784 20 10 DFCDHN C[C@H](CO)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000289183234 131364062 /nfs/dbraw/zinc/36/40/62/131364062.db2.gz ASGWUNSLFUKAOP-CQSZACIVSA-N 0 3 301.386 2.784 20 10 DFCDHN Cc1cc(O)c(CN(CCCO)Cc2ccccn2)cc1C ZINC000289494321 131390761 /nfs/dbraw/zinc/39/07/61/131390761.db2.gz SCZCIWLFOIBKGN-UHFFFAOYSA-N 0 3 300.402 2.789 20 10 DFCDHN COCCCN(Cc1ccncc1)Cc1cccc(OC)c1O ZINC000289535786 131393366 /nfs/dbraw/zinc/39/33/66/131393366.db2.gz WJBTZSFSCDMFSW-UHFFFAOYSA-N 0 3 316.401 2.835 20 10 DFCDHN c1cnc(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cn1 ZINC000121838636 132159589 /nfs/dbraw/zinc/15/95/89/132159589.db2.gz XULOSOLSTVEPIL-UHFFFAOYSA-N 0 3 323.444 2.621 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1C ZINC000069796955 425957362 /nfs/dbraw/zinc/95/73/62/425957362.db2.gz MZPYJQLDLYIYST-KRWDZBQOSA-N 0 3 318.461 2.553 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1C ZINC000069796955 425957366 /nfs/dbraw/zinc/95/73/66/425957366.db2.gz MZPYJQLDLYIYST-KRWDZBQOSA-N 0 3 318.461 2.553 20 10 DFCDHN CCn1cc(CNC2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000112098264 426064177 /nfs/dbraw/zinc/06/41/77/426064177.db2.gz OCYQVZUEJPEKBX-UHFFFAOYSA-N 0 3 314.433 2.670 20 10 DFCDHN [O-]c1cc2c(cc1CN1CCC[N@@H+](C3CCCC3)CC1)OCO2 ZINC000172512103 426227118 /nfs/dbraw/zinc/22/71/18/426227118.db2.gz WPMCWCJQMUTPSU-UHFFFAOYSA-N 0 3 318.417 2.571 20 10 DFCDHN [O-]c1cc2c(cc1CN1CCC[N@H+](C3CCCC3)CC1)OCO2 ZINC000172512103 426227120 /nfs/dbraw/zinc/22/71/20/426227120.db2.gz WPMCWCJQMUTPSU-UHFFFAOYSA-N 0 3 318.417 2.571 20 10 DFCDHN Cc1cc([C@@](C)(O)CNCc2ccc3c(c2)CCO3)c(C)o1 ZINC000174439143 426257295 /nfs/dbraw/zinc/25/72/95/426257295.db2.gz LQSUCMSTYBPYHQ-SFHVURJKSA-N 0 3 301.386 2.829 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000121216770 426325674 /nfs/dbraw/zinc/32/56/74/426325674.db2.gz MVPFMIPGQVBRFJ-ZDUSSCGKSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000121216770 426325676 /nfs/dbraw/zinc/32/56/76/426325676.db2.gz MVPFMIPGQVBRFJ-ZDUSSCGKSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000121216943 426326489 /nfs/dbraw/zinc/32/64/89/426326489.db2.gz MVPFMIPGQVBRFJ-CYBMUJFWSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000121216943 426326492 /nfs/dbraw/zinc/32/64/92/426326492.db2.gz MVPFMIPGQVBRFJ-CYBMUJFWSA-N 0 3 301.390 2.894 20 10 DFCDHN COc1cc(OC)cc(OCCC[NH2+]Cc2ccccc2[O-])c1 ZINC000151149865 426280233 /nfs/dbraw/zinc/28/02/33/426280233.db2.gz BZRMEHFPXPLDFW-UHFFFAOYSA-N 0 3 317.385 2.968 20 10 DFCDHN CCC(=O)N1CCCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC000092187222 426347870 /nfs/dbraw/zinc/34/78/70/426347870.db2.gz SOWJGNHWSUPIDZ-UHFFFAOYSA-N 0 3 317.477 2.977 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCS[C@H]3CCCC[C@@H]31)OCO2 ZINC000176828668 426417994 /nfs/dbraw/zinc/41/79/94/426417994.db2.gz SNTOVOZJLJFOFC-LRDDRELGSA-N 0 3 307.415 2.981 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCS[C@H]3CCCC[C@@H]31)OCO2 ZINC000176828668 426417997 /nfs/dbraw/zinc/41/79/97/426417997.db2.gz SNTOVOZJLJFOFC-LRDDRELGSA-N 0 3 307.415 2.981 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(F)ccc1[O-] ZINC000176984844 426430942 /nfs/dbraw/zinc/43/09/42/426430942.db2.gz AOWLCTLZIMSMGX-TZMCWYRMSA-N 0 3 316.380 2.641 20 10 DFCDHN Cc1ccc(O)c(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000154691507 426450801 /nfs/dbraw/zinc/45/08/01/426450801.db2.gz UZDSSKHYLFXWAR-KKSFZXQISA-N 0 3 303.427 2.910 20 10 DFCDHN CC[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000154978947 426460916 /nfs/dbraw/zinc/46/09/16/426460916.db2.gz YVRDRBZMQNLXLQ-BFYDXBDKSA-N 0 3 306.450 2.932 20 10 DFCDHN CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CC2 ZINC000186294159 426501244 /nfs/dbraw/zinc/50/12/44/426501244.db2.gz ILKJCEMGFXFQFV-DGCLKSJQSA-N 0 3 318.396 2.912 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC000280128651 426503522 /nfs/dbraw/zinc/50/35/22/426503522.db2.gz CGUVAQCCKLXXFF-GOSISDBHSA-N 0 3 321.417 2.561 20 10 DFCDHN Cc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)c([O-])c1O ZINC000177672531 426503904 /nfs/dbraw/zinc/50/39/04/426503904.db2.gz ICBMMSVNTLCMQX-UHFFFAOYSA-N 0 3 320.433 2.648 20 10 DFCDHN CC[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccc(C)cc1[O-] ZINC000280026722 426503922 /nfs/dbraw/zinc/50/39/22/426503922.db2.gz HTUZQSHMVRLFLX-CQSZACIVSA-N 0 3 302.374 2.764 20 10 DFCDHN CCN(C)C(=O)CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186816853 426595194 /nfs/dbraw/zinc/59/51/94/426595194.db2.gz KWUYZBYKAQTLRQ-HNNXBMFYSA-N 0 3 303.450 2.806 20 10 DFCDHN C[C@H](NCCC(=O)N(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000178292414 426599420 /nfs/dbraw/zinc/59/94/20/426599420.db2.gz ZNLBLNBNLWQUQU-AWEZNQCLSA-N 0 3 321.440 2.945 20 10 DFCDHN COc1cc(Cl)cc(CN(C)CCC[NH+]2CCCC2)c1[O-] ZINC000281340232 426714593 /nfs/dbraw/zinc/71/45/93/426714593.db2.gz SPRUFBPTDWPKFO-UHFFFAOYSA-N 0 3 312.841 2.972 20 10 DFCDHN COc1cccc(C[NH2+]C2CCN(c3ccccn3)CC2)c1[O-] ZINC000237366109 426692588 /nfs/dbraw/zinc/69/25/88/426692588.db2.gz QFBNQTDDFJDAJI-UHFFFAOYSA-N 0 3 313.401 2.554 20 10 DFCDHN N[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000178817575 426701278 /nfs/dbraw/zinc/70/12/78/426701278.db2.gz AREUCYIDCYUQFR-LJQANCHMSA-N 0 3 323.440 2.993 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000245849651 426776631 /nfs/dbraw/zinc/77/66/31/426776631.db2.gz MDGYXWIPFAVWBB-JFIYKMOQSA-N 0 3 318.461 2.774 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000245849651 426776636 /nfs/dbraw/zinc/77/66/36/426776636.db2.gz MDGYXWIPFAVWBB-JFIYKMOQSA-N 0 3 318.461 2.774 20 10 DFCDHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000290275161 426730613 /nfs/dbraw/zinc/73/06/13/426730613.db2.gz WPTUJFNZHBNBFX-MGPQQGTHSA-N 0 3 310.413 2.736 20 10 DFCDHN CCOc1ccc(O)c(CN2CCCN(CC(F)F)CC2)c1 ZINC000290290524 426733491 /nfs/dbraw/zinc/73/34/91/426733491.db2.gz AHIPUMCQTTYHEY-UHFFFAOYSA-N 0 3 314.376 2.564 20 10 DFCDHN COc1cccc(CN2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1O ZINC000281660820 426738652 /nfs/dbraw/zinc/73/86/52/426738652.db2.gz CIVOYQDMAPLBSI-JKSUJKDBSA-N 0 3 317.360 2.848 20 10 DFCDHN C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 ZINC000290322764 426740248 /nfs/dbraw/zinc/74/02/48/426740248.db2.gz OKEUAYJXLIAWIQ-BOFPYLFWSA-N 0 3 312.413 2.898 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000245565625 426753182 /nfs/dbraw/zinc/75/31/82/426753182.db2.gz RWCNWLAOPBQXFP-XYJFISCASA-N 0 3 318.461 2.774 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000245565625 426753185 /nfs/dbraw/zinc/75/31/85/426753185.db2.gz RWCNWLAOPBQXFP-XYJFISCASA-N 0 3 318.461 2.774 20 10 DFCDHN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000179562635 426801096 /nfs/dbraw/zinc/80/10/96/426801096.db2.gz GDCMTJXQQSKLAE-ZBFHGGJFSA-N 0 3 304.434 2.909 20 10 DFCDHN CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000179562635 426801103 /nfs/dbraw/zinc/80/11/03/426801103.db2.gz GDCMTJXQQSKLAE-ZBFHGGJFSA-N 0 3 304.434 2.909 20 10 DFCDHN COCCN(Cc1ccc2c(c1)OCO2)Cc1ccccc1O ZINC000179574126 426802899 /nfs/dbraw/zinc/80/28/99/426802899.db2.gz VZLPTXHNIBIKFL-UHFFFAOYSA-N 0 3 315.369 2.770 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1[O-] ZINC000179782064 426816619 /nfs/dbraw/zinc/81/66/19/426816619.db2.gz IGWXSUGSNNGJIB-UHFFFAOYSA-N 0 3 316.445 2.925 20 10 DFCDHN COc1ccc(O)c(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000290832897 426850415 /nfs/dbraw/zinc/85/04/15/426850415.db2.gz HSARZAOQAQPSDD-IRXDYDNUSA-N 0 3 303.402 2.934 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000291001139 426872906 /nfs/dbraw/zinc/87/29/06/426872906.db2.gz AWWOIMMGTJZYEJ-IEBWSBKVSA-N 0 3 313.397 2.657 20 10 DFCDHN CN1CCC(C[N@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295243653 426876344 /nfs/dbraw/zinc/87/63/44/426876344.db2.gz FDNVJDAPXVDOBH-UHFFFAOYSA-N 0 3 300.805 2.958 20 10 DFCDHN CN1CCC(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295243653 426876347 /nfs/dbraw/zinc/87/63/47/426876347.db2.gz FDNVJDAPXVDOBH-UHFFFAOYSA-N 0 3 300.805 2.958 20 10 DFCDHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3F)C2)c1[O-] ZINC000291322386 426883128 /nfs/dbraw/zinc/88/31/28/426883128.db2.gz SXZQFJPFBWUGIX-CQSZACIVSA-N 0 3 314.360 2.735 20 10 DFCDHN Cc1cccc(CN[C@@H]2CC(=O)N(c3ccccc3F)C2)c1O ZINC000291322386 426883133 /nfs/dbraw/zinc/88/31/33/426883133.db2.gz SXZQFJPFBWUGIX-CQSZACIVSA-N 0 3 314.360 2.735 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c([O-])c1 ZINC000291369158 426884104 /nfs/dbraw/zinc/88/41/04/426884104.db2.gz ZEKQBICUMVTRAS-OAHLLOKOSA-N 0 3 301.390 2.825 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c([O-])c1 ZINC000291369158 426884111 /nfs/dbraw/zinc/88/41/11/426884111.db2.gz ZEKQBICUMVTRAS-OAHLLOKOSA-N 0 3 301.390 2.825 20 10 DFCDHN COC1CCN(c2ccc(CN(C)C[C@@H]3CCCO3)cc2)CC1 ZINC000295545356 427000700 /nfs/dbraw/zinc/00/07/00/427000700.db2.gz OTODNNJQWIQUGZ-IBGZPJMESA-N 0 3 318.461 2.913 20 10 DFCDHN CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268743079 427108927 /nfs/dbraw/zinc/10/89/27/427108927.db2.gz SYLNGBQECGDLCI-LSDHHAIUSA-N 0 3 303.450 2.852 20 10 DFCDHN C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(F)ccc1[O-] ZINC000277097630 427135843 /nfs/dbraw/zinc/13/58/43/427135843.db2.gz LFTGYNWLIRBMBZ-LBPRGKRZSA-N 0 3 316.380 2.641 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[O-] ZINC000183247711 427233941 /nfs/dbraw/zinc/23/39/41/427233941.db2.gz MWHFAQVWZAEUMU-HNNXBMFYSA-N 0 3 321.417 2.766 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[O-] ZINC000183247711 427233949 /nfs/dbraw/zinc/23/39/49/427233949.db2.gz MWHFAQVWZAEUMU-HNNXBMFYSA-N 0 3 321.417 2.766 20 10 DFCDHN Cc1nc(CN2CCC[N@H+](Cc3ccccc3[O-])CC2)cs1 ZINC000183294089 427240804 /nfs/dbraw/zinc/24/08/04/427240804.db2.gz PADZLZFQSSJNAX-UHFFFAOYSA-N 0 3 317.458 2.865 20 10 DFCDHN Cc1nc(CN2CCC[N@@H+](Cc3ccccc3[O-])CC2)cs1 ZINC000183294089 427240812 /nfs/dbraw/zinc/24/08/12/427240812.db2.gz PADZLZFQSSJNAX-UHFFFAOYSA-N 0 3 317.458 2.865 20 10 DFCDHN COC(=O)COc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183606330 427302749 /nfs/dbraw/zinc/30/27/49/427302749.db2.gz ISZYBLYPFMBRHD-CYBMUJFWSA-N 0 3 315.369 2.795 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000270240450 427320146 /nfs/dbraw/zinc/32/01/46/427320146.db2.gz CQZQBXJCPPQNEF-GOSISDBHSA-N 0 3 319.376 2.927 20 10 DFCDHN C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000278791107 427452841 /nfs/dbraw/zinc/45/28/41/427452841.db2.gz YRUJTAZFIJBNES-ZIAGYGMSSA-N 0 3 310.413 2.683 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c([O-])c1 ZINC000278789103 427453030 /nfs/dbraw/zinc/45/30/30/427453030.db2.gz YQKIPCXGWDOZOP-HZPDHXFCSA-N 0 3 306.450 2.852 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c([O-])c1 ZINC000293754953 427425678 /nfs/dbraw/zinc/42/56/78/427425678.db2.gz OMFMHFGXPPSYOM-RDJZCZTQSA-N 0 3 319.493 2.543 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(C3(C)OCCO3)CC2)cc1C ZINC000271166396 427428069 /nfs/dbraw/zinc/42/80/69/427428069.db2.gz HLXNBLZGMOTZKD-UHFFFAOYSA-N 0 3 305.418 2.984 20 10 DFCDHN Cc1ccc(CN2CC[C@@H](NCc3cc(C)ccc3O)C2=O)cc1 ZINC000191801780 427430070 /nfs/dbraw/zinc/43/00/70/427430070.db2.gz FPSMEBGSZACLRG-GOSISDBHSA-N 0 3 324.424 2.900 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)c([O-])c1 ZINC000278426952 427439791 /nfs/dbraw/zinc/43/97/91/427439791.db2.gz JBZDEJNFKZYZNB-LSDHHAIUSA-N 0 3 314.433 2.754 20 10 DFCDHN CC1(CNCc2ccc(N3CCCCC3)cc2)OCCCO1 ZINC000192248993 427511921 /nfs/dbraw/zinc/51/19/21/427511921.db2.gz SHOQJOGWTSYNQH-UHFFFAOYSA-N 0 3 304.434 2.920 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)c1 ZINC000278968563 427516763 /nfs/dbraw/zinc/51/67/63/427516763.db2.gz NGQSUMQKQWBVLU-QWQRMKEZSA-N 0 3 315.417 2.863 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)c2ccco2)c1[O-] ZINC000184709589 427524213 /nfs/dbraw/zinc/52/42/13/427524213.db2.gz APYFMYJBHUTJJI-OAHLLOKOSA-N 0 3 311.765 2.645 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000271491433 427561915 /nfs/dbraw/zinc/56/19/15/427561915.db2.gz ZYVAQLURDJLOGY-HNNXBMFYSA-N 0 3 307.390 2.566 20 10 DFCDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000184915884 427563617 /nfs/dbraw/zinc/56/36/17/427563617.db2.gz OWMLXCBOXRKMKG-XJKSGUPXSA-N 0 3 310.413 2.539 20 10 DFCDHN C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(F)ccc1[O-] ZINC000184956069 427568100 /nfs/dbraw/zinc/56/81/00/427568100.db2.gz ZLDKHBWXXZCBOC-GFCCVEGCSA-N 0 3 318.396 2.743 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2cn3ccccc3n2)c1 ZINC000184969608 427571505 /nfs/dbraw/zinc/57/15/05/427571505.db2.gz IBZZENRFRZQINH-CYBMUJFWSA-N 0 3 311.385 2.942 20 10 DFCDHN C[C@@H]([NH2+]CCn1cc(Br)cn1)c1ccccc1[O-] ZINC000271685390 427579298 /nfs/dbraw/zinc/57/92/98/427579298.db2.gz QFJRBGUVIDYICU-SNVBAGLBSA-N 0 3 310.195 2.702 20 10 DFCDHN C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000271617587 427580725 /nfs/dbraw/zinc/58/07/25/427580725.db2.gz CDWBRDPOPQFNMG-LBPRGKRZSA-N 0 3 320.414 2.615 20 10 DFCDHN CO[C@@H](C)CC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000271809716 427583474 /nfs/dbraw/zinc/58/34/74/427583474.db2.gz AMBZDJDPBHMYAR-JTQLQIEISA-N 0 3 302.212 2.978 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000271870276 427591670 /nfs/dbraw/zinc/59/16/70/427591670.db2.gz XKCOBIDXUWIZFZ-DIFFPNOSSA-N 0 3 305.349 2.752 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@H](C)[C@H]2CCOC2)c1[O-] ZINC000271873148 427592443 /nfs/dbraw/zinc/59/24/43/427592443.db2.gz YMBCKVQFABSRCZ-MNOVXSKESA-N 0 3 314.223 2.978 20 10 DFCDHN COCCCN1CCC([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185314353 427633728 /nfs/dbraw/zinc/63/37/28/427633728.db2.gz HGOQYXMRTMTMTC-HNNXBMFYSA-N 0 3 306.450 2.852 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294685996 427648607 /nfs/dbraw/zinc/64/86/07/427648607.db2.gz BYVZOLHYLZWBRB-AWEZNQCLSA-N 0 3 304.434 2.814 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1[O-] ZINC000294685996 427648612 /nfs/dbraw/zinc/64/86/12/427648612.db2.gz BYVZOLHYLZWBRB-AWEZNQCLSA-N 0 3 304.434 2.814 20 10 DFCDHN CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287628470 427658008 /nfs/dbraw/zinc/65/80/08/427658008.db2.gz KDACBSMCHWIVAA-CQSZACIVSA-N 0 3 312.841 2.543 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1C ZINC000294777366 427659721 /nfs/dbraw/zinc/65/97/21/427659721.db2.gz KUCALZBBTFGCCZ-JKSUJKDBSA-N 0 3 324.424 2.790 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1C ZINC000294777366 427659727 /nfs/dbraw/zinc/65/97/27/427659727.db2.gz KUCALZBBTFGCCZ-JKSUJKDBSA-N 0 3 324.424 2.790 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000279439862 427670600 /nfs/dbraw/zinc/67/06/00/427670600.db2.gz OZCSZOOOWZBTFW-CYBMUJFWSA-N 0 3 312.841 2.507 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000279439862 427670606 /nfs/dbraw/zinc/67/06/06/427670606.db2.gz OZCSZOOOWZBTFW-CYBMUJFWSA-N 0 3 312.841 2.507 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000193498590 427694142 /nfs/dbraw/zinc/69/41/42/427694142.db2.gz OIVWXVFQZNRWMM-GXTWGEPZSA-N 0 3 307.390 2.612 20 10 DFCDHN CCN(CC)[C@H](C)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000279630039 427715882 /nfs/dbraw/zinc/71/58/82/427715882.db2.gz HWZGVEAANZBHGB-LLVKDONJSA-N 0 3 300.830 2.874 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000186021889 427741345 /nfs/dbraw/zinc/74/13/45/427741345.db2.gz LJZCPTFKYQLDTJ-CMPLNLGQSA-N 0 3 316.323 2.514 20 10 DFCDHN CCO[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccccc1 ZINC000194460452 427744110 /nfs/dbraw/zinc/74/41/10/427744110.db2.gz RTNYSATZAHSVQW-GOSISDBHSA-N 0 3 315.369 2.988 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000369857932 428077194 /nfs/dbraw/zinc/07/71/94/428077194.db2.gz UPYOUYWVYCXEOC-KDURUIRLSA-N 0 3 308.425 2.956 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000369857932 428077198 /nfs/dbraw/zinc/07/71/98/428077198.db2.gz UPYOUYWVYCXEOC-KDURUIRLSA-N 0 3 308.425 2.956 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000370212098 428156990 /nfs/dbraw/zinc/15/69/90/428156990.db2.gz HBQXJYMEXCTUHH-ZBFHGGJFSA-N 0 3 300.406 2.847 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000370212098 428156996 /nfs/dbraw/zinc/15/69/96/428156996.db2.gz HBQXJYMEXCTUHH-ZBFHGGJFSA-N 0 3 300.406 2.847 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000277519684 273708004 /nfs/dbraw/zinc/70/80/04/273708004.db2.gz SHGZXZGEJWHQOV-MRXNPFEDSA-N 0 3 304.434 2.897 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1[O-] ZINC000373227956 428523027 /nfs/dbraw/zinc/52/30/27/428523027.db2.gz LCKSARIYZUQHSN-CQSZACIVSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1[O-] ZINC000373227956 428523032 /nfs/dbraw/zinc/52/30/32/428523032.db2.gz LCKSARIYZUQHSN-CQSZACIVSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@H](CC)O[C@@]3(CCOC3)C2)c1 ZINC000373484355 428589147 /nfs/dbraw/zinc/58/91/47/428589147.db2.gz XLDISHDFOGNBEB-YJBOKZPZSA-N 0 3 321.417 2.561 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1OC ZINC000373370821 428557978 /nfs/dbraw/zinc/55/79/78/428557978.db2.gz SCLGBYXQFGJNKJ-QZTJIDSGSA-N 0 3 321.417 2.704 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[O-] ZINC000290298833 274095231 /nfs/dbraw/zinc/09/52/31/274095231.db2.gz BBFBNRCSAOQPGF-SWLSCSKDSA-N 0 3 324.852 2.970 20 10 DFCDHN COc1cc(Cl)cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1[O-] ZINC000290298833 274095232 /nfs/dbraw/zinc/09/52/32/274095232.db2.gz BBFBNRCSAOQPGF-SWLSCSKDSA-N 0 3 324.852 2.970 20 10 DFCDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000374156540 428665007 /nfs/dbraw/zinc/66/50/07/428665007.db2.gz HGBGRBLTMQMZOT-KSZLIROESA-N 0 3 322.408 2.639 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000362234551 428670325 /nfs/dbraw/zinc/67/03/25/428670325.db2.gz IBOPLXYSAHODBF-DLBZAZTESA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000362234551 428670330 /nfs/dbraw/zinc/67/03/30/428670330.db2.gz IBOPLXYSAHODBF-DLBZAZTESA-N 0 3 302.418 2.676 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c([O-])c1 ZINC000374269991 428672486 /nfs/dbraw/zinc/67/24/86/428672486.db2.gz PDTDHXYDBBJJGZ-QAPCUYQASA-N 0 3 321.417 2.609 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(C)cc1[O-] ZINC000374506251 428689408 /nfs/dbraw/zinc/68/94/08/428689408.db2.gz PPNXMAIYZTXOKX-JYJNAYRXSA-N 0 3 302.418 2.895 20 10 DFCDHN Cc1ccc(O)c(CN2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC000362622345 428793424 /nfs/dbraw/zinc/79/34/24/428793424.db2.gz MUCUZLHOVFUTJN-MRXNPFEDSA-N 0 3 302.418 2.678 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c([O-])c1C ZINC000363868514 429130741 /nfs/dbraw/zinc/13/07/41/429130741.db2.gz NPTWJCIVIXJDQK-GJZGRUSLSA-N 0 3 314.433 2.672 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccc(C)cc1[O-] ZINC000365581075 429345817 /nfs/dbraw/zinc/34/58/17/429345817.db2.gz LMDFLUSFVXBCHO-NVXWUHKLSA-N 0 3 304.434 2.605 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccc(C)cc1[O-] ZINC000365580068 429346007 /nfs/dbraw/zinc/34/60/07/429346007.db2.gz CSMBOYRCXWFFOY-HOCLYGCPSA-N 0 3 314.433 2.754 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000367306853 429617340 /nfs/dbraw/zinc/61/73/40/429617340.db2.gz BBPLZUGDALBEPY-GJZGRUSLSA-N 0 3 300.406 2.555 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000367306853 429617342 /nfs/dbraw/zinc/61/73/42/429617342.db2.gz BBPLZUGDALBEPY-GJZGRUSLSA-N 0 3 300.406 2.555 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C[C@H]3CCOC3)C1)OCO2 ZINC000367395736 429640852 /nfs/dbraw/zinc/64/08/52/429640852.db2.gz DACSADOAVPXLCV-ZIAGYGMSSA-N 0 3 319.401 2.760 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C[C@H]3CCOC3)C1)OCO2 ZINC000367395736 429640856 /nfs/dbraw/zinc/64/08/56/429640856.db2.gz DACSADOAVPXLCV-ZIAGYGMSSA-N 0 3 319.401 2.760 20 10 DFCDHN C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cc(F)ccc1[O-] ZINC000368477938 429855237 /nfs/dbraw/zinc/85/52/37/429855237.db2.gz LWCCMBTZQBFDCU-LBPRGKRZSA-N 0 3 303.381 2.957 20 10 DFCDHN CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccc(C)cc1[O-] ZINC000369148514 429916037 /nfs/dbraw/zinc/91/60/37/429916037.db2.gz UVUSFXZZOMMVKM-MRXNPFEDSA-N 0 3 323.400 2.917 20 10 DFCDHN CCOc1ccc(CNc2ccc3c(c2)OCCNC3)c(O)c1 ZINC000530182324 430101893 /nfs/dbraw/zinc/10/18/93/430101893.db2.gz TYTUCISLLFGKIK-UHFFFAOYSA-N 0 3 314.385 2.885 20 10 DFCDHN CC1(C)CN(C(=O)c2cn[n-]c2[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000643508177 430612168 /nfs/dbraw/zinc/61/21/68/430612168.db2.gz QOYMGXZFRHCBET-ZDUSSCGKSA-N 0 3 324.428 2.815 20 10 DFCDHN C[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000268834858 279530863 /nfs/dbraw/zinc/53/08/63/279530863.db2.gz NCCJTDDGAQQFBM-HOCLYGCPSA-N 0 3 301.434 2.558 20 10 DFCDHN O=C(CC[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCCCCC1 ZINC000297682856 303584534 /nfs/dbraw/zinc/58/45/34/303584534.db2.gz LOJQCLUEFNMHOL-OAHLLOKOSA-N 0 3 302.418 2.762 20 10 DFCDHN CC[NH+](CC)[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000102827171 332943219 /nfs/dbraw/zinc/94/32/19/332943219.db2.gz SUTWWDXQQDYDDV-HNNXBMFYSA-N 0 3 308.397 2.650 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000293315912 335103743 /nfs/dbraw/zinc/10/37/43/335103743.db2.gz FKANPFGVGWVDJL-PSOPSSQASA-N 0 3 315.410 2.538 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCc3nccn3C2)c1 ZINC000364673760 333326081 /nfs/dbraw/zinc/32/60/81/333326081.db2.gz PWOCHGTZUARQGL-AWEZNQCLSA-N 0 3 315.417 2.682 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCc3nccn3C2)c1 ZINC000364673760 333326083 /nfs/dbraw/zinc/32/60/83/333326083.db2.gz PWOCHGTZUARQGL-AWEZNQCLSA-N 0 3 315.417 2.682 20 10 DFCDHN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCc2nccn2C1 ZINC000364674312 333326112 /nfs/dbraw/zinc/32/61/12/333326112.db2.gz RILDIHUBGTZGEF-LBPRGKRZSA-N 0 3 305.809 2.937 20 10 DFCDHN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H]1CCc2nccn2C1 ZINC000364674312 333326113 /nfs/dbraw/zinc/32/61/13/333326113.db2.gz RILDIHUBGTZGEF-LBPRGKRZSA-N 0 3 305.809 2.937 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1[O-] ZINC000184685961 333364458 /nfs/dbraw/zinc/36/44/58/333364458.db2.gz AITUBBPSRBJQLV-AWEZNQCLSA-N 0 3 310.825 2.724 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCn3ccnc3C2)c1[O-] ZINC000366746908 334475322 /nfs/dbraw/zinc/47/53/22/334475322.db2.gz SJDGSBCCJUXBFC-LLVKDONJSA-N 0 3 321.808 2.603 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3nc(C)cn3C2)c1 ZINC000368314859 336842291 /nfs/dbraw/zinc/84/22/91/336842291.db2.gz GGASTCRUIOKWKH-CHWSQXEVSA-N 0 3 301.390 2.571 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3ccncn3)C2)c1 ZINC000368330590 336842532 /nfs/dbraw/zinc/84/25/32/336842532.db2.gz GWKKWAZLHJAZET-CABCVRRESA-N 0 3 312.417 2.810 20 10 DFCDHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2[O-])CC(=O)N1Cc1ccccc1 ZINC000368558923 336847668 /nfs/dbraw/zinc/84/76/68/336847668.db2.gz YURCMIZJCAJBDV-RHSMWYFYSA-N 0 3 310.397 2.671 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c([O-])c1C ZINC000369901164 336873969 /nfs/dbraw/zinc/87/39/69/336873969.db2.gz FJASDIQPMCSMLK-RLFYNMQTSA-N 0 3 305.418 2.998 20 10 DFCDHN Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccc3[O-])C2)nn1 ZINC000371674097 336910417 /nfs/dbraw/zinc/91/04/17/336910417.db2.gz DFRXFMUSWZQUQL-LSDHHAIUSA-N 0 3 312.417 2.810 20 10 DFCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000372491839 336932923 /nfs/dbraw/zinc/93/29/23/336932923.db2.gz CHEMWXZCIRWYBK-CQSZACIVSA-N 0 3 318.417 2.578 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2cnc3n2CCCC3)c1 ZINC000375271481 337006975 /nfs/dbraw/zinc/00/69/75/337006975.db2.gz ZPDYHWPTHMQPOA-LBPRGKRZSA-N 0 3 301.390 2.784 20 10 DFCDHN CCc1nnc2n1C[C@H]([NH2+][C@@H](CC)c1ccccc1[O-])CC2 ZINC000376317629 337031335 /nfs/dbraw/zinc/03/13/35/337031335.db2.gz ACQOHLIAXHIYFG-OCCSQVGLSA-N 0 3 300.406 2.602 20 10 DFCDHN CC[C@@H]1CN(Cc2cc(C)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000376444909 337033595 /nfs/dbraw/zinc/03/35/95/337033595.db2.gz XTFYKUJZIMSUMB-SJLPKXTDSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000376444909 337033596 /nfs/dbraw/zinc/03/35/96/337033596.db2.gz XTFYKUJZIMSUMB-SJLPKXTDSA-N 0 3 305.418 2.861 20 10 DFCDHN CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000376444909 337033597 /nfs/dbraw/zinc/03/35/97/337033597.db2.gz XTFYKUJZIMSUMB-SJLPKXTDSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CN3CCCC[C@H]3CO2)c1 ZINC000376895029 337043296 /nfs/dbraw/zinc/04/32/96/337043296.db2.gz UYVZZRLPMVKMKF-JYJNAYRXSA-N 0 3 304.434 2.605 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1 ZINC000377539239 337054639 /nfs/dbraw/zinc/05/46/39/337054639.db2.gz CMCYMOMCISBGKN-BMGTVUPLSA-N 0 3 321.417 2.730 20 10 DFCDHN CCOCc1cc(CN[C@@H]2CCO[C@@H]2C2CC2)ccc1OC ZINC000378310132 337069724 /nfs/dbraw/zinc/06/97/24/337069724.db2.gz GVKXLZTXQZDKDU-SJLPKXTDSA-N 0 3 305.418 2.889 20 10 DFCDHN CCOCc1cc(CN[C@@H]2CCO[C@H]2C2CC2)ccc1OC ZINC000378310119 337069733 /nfs/dbraw/zinc/06/97/33/337069733.db2.gz GVKXLZTXQZDKDU-AEFFLSMTSA-N 0 3 305.418 2.889 20 10 DFCDHN COc1cc([O-])c(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1OC ZINC000378439747 337072725 /nfs/dbraw/zinc/07/27/25/337072725.db2.gz UMOVMBPWPRVFEZ-UHFFFAOYSA-N 0 3 317.389 2.512 20 10 DFCDHN COc1cc(O)c(CN2CCC(c3c[nH]cn3)CC2)cc1OC ZINC000378439747 337072726 /nfs/dbraw/zinc/07/27/26/337072726.db2.gz UMOVMBPWPRVFEZ-UHFFFAOYSA-N 0 3 317.389 2.512 20 10 DFCDHN CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC000378502480 337074692 /nfs/dbraw/zinc/07/46/92/337074692.db2.gz YWBQBHJWOADQBP-GOEBONIOSA-N 0 3 316.445 2.861 20 10 DFCDHN CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC000378502480 337074693 /nfs/dbraw/zinc/07/46/93/337074693.db2.gz YWBQBHJWOADQBP-GOEBONIOSA-N 0 3 316.445 2.861 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1OC ZINC000360043002 337084451 /nfs/dbraw/zinc/08/44/51/337084451.db2.gz ZUKVQAABLMNVCF-JCURWCKSSA-N 0 3 321.417 2.703 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000180011232 337173119 /nfs/dbraw/zinc/17/31/19/337173119.db2.gz JQUQCYJUSXFKLI-INIZCTEOSA-N 0 3 309.381 2.691 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccccc1[O-] ZINC000183552752 337192093 /nfs/dbraw/zinc/19/20/93/337192093.db2.gz CXHNAELIQSOMCL-QWHCGFSZSA-N 0 3 301.365 2.856 20 10 DFCDHN C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(F)ccc1[O-] ZINC000184989119 337202261 /nfs/dbraw/zinc/20/22/61/337202261.db2.gz NXJCGIQPXPPKLF-GFCCVEGCSA-N 0 3 312.348 2.963 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c([O-])c1 ZINC000185553031 337248996 /nfs/dbraw/zinc/24/89/96/337248996.db2.gz RJNZIYCHAYJKQU-LSDHHAIUSA-N 0 3 314.433 2.754 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)c1 ZINC000191909287 337301155 /nfs/dbraw/zinc/30/11/55/337301155.db2.gz XDUIUFIRBUHHEP-UHFFFAOYSA-N 0 3 316.405 2.529 20 10 DFCDHN CN(C)c1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1F ZINC000135909234 337453124 /nfs/dbraw/zinc/45/31/24/337453124.db2.gz LBCZZOOQXFOKCO-LJQANCHMSA-N 0 3 314.404 2.815 20 10 DFCDHN COC[C@]1([NH2+]Cc2cc(C)ccc2[O-])COc2ccccc2C1 ZINC000527801999 337764952 /nfs/dbraw/zinc/76/49/52/337764952.db2.gz XYNORUUMZPXFIM-IBGZPJMESA-N 0 3 313.397 2.811 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@H](CCO)C(C)(C)C)c1[O-] ZINC000231075077 340621764 /nfs/dbraw/zinc/62/17/64/340621764.db2.gz QZLSJHKLJOMIDG-CYBMUJFWSA-N 0 3 301.814 2.941 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]CC23CC(C2)CO3)c1[O-] ZINC000529661192 340766954 /nfs/dbraw/zinc/76/69/54/340766954.db2.gz AEDWIBMNWTYLEE-UHFFFAOYSA-N 0 3 312.207 2.732 20 10 DFCDHN CC[C@H](COCC(F)(F)F)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000295189173 500735518 /nfs/dbraw/zinc/73/55/18/500735518.db2.gz XBQIGIFUDBVVIE-LLVKDONJSA-N 0 3 307.312 2.848 20 10 DFCDHN CCCOc1ccc(C[NH2+]C[C@](C)(O)c2ccco2)c([O-])c1 ZINC000266189755 520368722 /nfs/dbraw/zinc/36/87/22/520368722.db2.gz YAAZZRVGPIRJEZ-KRWDZBQOSA-N 0 3 305.374 2.771 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@@]3(CNC(=O)O3)C2)cc1 ZINC000364884830 520893093 /nfs/dbraw/zinc/89/30/93/520893093.db2.gz DCSAVZFFNZTYLM-GOSISDBHSA-N 0 3 317.433 2.607 20 10 DFCDHN CCOc1ccc(O)c(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000179964205 521146528 /nfs/dbraw/zinc/14/65/28/521146528.db2.gz SVVLDAGPTVYFOF-CYBMUJFWSA-N 0 3 321.417 2.955 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000179964205 521146533 /nfs/dbraw/zinc/14/65/33/521146533.db2.gz SVVLDAGPTVYFOF-CYBMUJFWSA-N 0 3 321.417 2.955 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC000179964205 521146544 /nfs/dbraw/zinc/14/65/44/521146544.db2.gz SVVLDAGPTVYFOF-CYBMUJFWSA-N 0 3 321.417 2.955 20 10 DFCDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)c(C)cc1[O-])CC2 ZINC000265099292 523671639 /nfs/dbraw/zinc/67/16/39/523671639.db2.gz XFEUQYWEUQFFDD-HNNXBMFYSA-N 0 3 303.402 2.784 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000179999854 524741878 /nfs/dbraw/zinc/74/18/78/524741878.db2.gz RXDNTGYNKPSVNW-CYBMUJFWSA-N 0 3 317.389 2.547 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000179999854 524741884 /nfs/dbraw/zinc/74/18/84/524741884.db2.gz RXDNTGYNKPSVNW-CYBMUJFWSA-N 0 3 317.389 2.547 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@H](Cc3noc(C)n3)C2)c1 ZINC000179999854 524741890 /nfs/dbraw/zinc/74/18/90/524741890.db2.gz RXDNTGYNKPSVNW-CYBMUJFWSA-N 0 3 317.389 2.547 20 10 DFCDHN COc1ccc(O)c(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1 ZINC000182101060 524752607 /nfs/dbraw/zinc/75/26/07/524752607.db2.gz OIKBWYKGOZHXNT-KSFYIVLOSA-N 0 3 319.426 2.610 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)C2CCCCC2)c1 ZINC000182338263 524760066 /nfs/dbraw/zinc/76/00/66/524760066.db2.gz BBQDSHAYWROEDT-CYBMUJFWSA-N 0 3 320.433 2.843 20 10 DFCDHN C[C@]1(O)CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183116576 525312300 /nfs/dbraw/zinc/31/23/00/525312300.db2.gz PRMMQTUAMZUKQO-IBGZPJMESA-N 0 3 313.397 2.928 20 10 DFCDHN C[C@]1(O)CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183116576 525312308 /nfs/dbraw/zinc/31/23/08/525312308.db2.gz PRMMQTUAMZUKQO-IBGZPJMESA-N 0 3 313.397 2.928 20 10 DFCDHN COc1cccc(C[NH2+]C[C@H](O)c2ccc(Cl)cc2)c1[O-] ZINC000237213497 526020609 /nfs/dbraw/zinc/02/06/09/526020609.db2.gz BKQXXUDXBOMDRG-AWEZNQCLSA-N 0 3 307.777 2.877 20 10 DFCDHN COc1cccc(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)c1[O-] ZINC000267184873 526029455 /nfs/dbraw/zinc/02/94/55/526029455.db2.gz LCDSMFMNTVSFLH-ZBEGNZNMSA-N 0 3 305.349 2.752 20 10 DFCDHN COc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c1[O-] ZINC000365164729 526042388 /nfs/dbraw/zinc/04/23/88/526042388.db2.gz RVFSMXBHLLVTEE-CRAIPNDOSA-N 0 3 313.397 2.786 20 10 DFCDHN COc1cccc(CN[C@H]2c3ccccc3CC[C@@H]2CO)c1O ZINC000365164729 526042394 /nfs/dbraw/zinc/04/23/94/526042394.db2.gz RVFSMXBHLLVTEE-CRAIPNDOSA-N 0 3 313.397 2.786 20 10 DFCDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](c3nccs3)C1)OCO2 ZINC000156542322 526334475 /nfs/dbraw/zinc/33/44/75/526334475.db2.gz CWFKXFBDHCXYPY-NSHDSACASA-N 0 3 318.398 2.957 20 10 DFCDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](c3nccs3)C1)OCO2 ZINC000156542322 526334478 /nfs/dbraw/zinc/33/44/78/526334478.db2.gz CWFKXFBDHCXYPY-NSHDSACASA-N 0 3 318.398 2.957 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000180120534 526759929 /nfs/dbraw/zinc/75/99/29/526759929.db2.gz AOVHWFZENNYJIU-MRXNPFEDSA-N 0 3 314.433 2.821 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)n1 ZINC000180120534 526759933 /nfs/dbraw/zinc/75/99/33/526759933.db2.gz AOVHWFZENNYJIU-MRXNPFEDSA-N 0 3 314.433 2.821 20 10 DFCDHN Cn1cccc1CNCc1ccc(N2CCC(CO)CC2)cc1 ZINC000265669321 527398823 /nfs/dbraw/zinc/39/88/23/527398823.db2.gz VXCQQJKWBMEJCZ-UHFFFAOYSA-N 0 3 313.445 2.524 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000281644711 535765588 /nfs/dbraw/zinc/76/55/88/535765588.db2.gz PEQRNCKRXWPYGX-GJZGRUSLSA-N 0 3 303.450 2.804 20 10 DFCDHN CN(C)CCN(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000289456593 535867440 /nfs/dbraw/zinc/86/74/40/535867440.db2.gz NUMYENVIFWDQHW-UHFFFAOYSA-N 0 3 301.434 2.909 20 10 DFCDHN COC[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])OC ZINC000272635469 536627332 /nfs/dbraw/zinc/62/73/32/536627332.db2.gz BSEIGHLOGZCRSI-QGZVFWFLSA-N 0 3 301.386 2.810 20 10 DFCDHN COc1cc(O)c(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000272390432 536855811 /nfs/dbraw/zinc/85/58/11/536855811.db2.gz HBFAPOBDDHYLIT-UKRRQHHQSA-N 0 3 323.433 2.638 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000272390432 536855820 /nfs/dbraw/zinc/85/58/20/536855820.db2.gz HBFAPOBDDHYLIT-UKRRQHHQSA-N 0 3 323.433 2.638 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000272390432 536855821 /nfs/dbraw/zinc/85/58/21/536855821.db2.gz HBFAPOBDDHYLIT-UKRRQHHQSA-N 0 3 323.433 2.638 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3cnn(C)c3)CC2)c1 ZINC000092808990 185343076 /nfs/dbraw/zinc/34/30/76/185343076.db2.gz FRKYIMVQNDKLCD-UHFFFAOYSA-N 0 3 315.417 2.904 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000092073546 398556585 /nfs/dbraw/zinc/55/65/85/398556585.db2.gz MVVSAZPKGXYCGM-CYBMUJFWSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000092073546 398556587 /nfs/dbraw/zinc/55/65/87/398556587.db2.gz MVVSAZPKGXYCGM-CYBMUJFWSA-N 0 3 301.390 2.894 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000093585978 398641026 /nfs/dbraw/zinc/64/10/26/398641026.db2.gz OVGRJSKKCLZJOU-CRAIPNDOSA-N 0 3 305.418 2.918 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000093585978 398641029 /nfs/dbraw/zinc/64/10/29/398641029.db2.gz OVGRJSKKCLZJOU-CRAIPNDOSA-N 0 3 305.418 2.918 20 10 DFCDHN c1cc(N2CCOCC2)ccc1CN1CCOCC12CCCC2 ZINC000093840608 398647708 /nfs/dbraw/zinc/64/77/08/398647708.db2.gz XFIVNMOLZBMMRH-UHFFFAOYSA-N 0 3 316.445 2.668 20 10 DFCDHN CC(C)OC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000072629273 191204766 /nfs/dbraw/zinc/20/47/66/191204766.db2.gz XLKGOAYFNJVMMU-INIZCTEOSA-N 0 3 321.417 2.715 20 10 DFCDHN CC(C)OC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000072629273 191204769 /nfs/dbraw/zinc/20/47/69/191204769.db2.gz XLKGOAYFNJVMMU-INIZCTEOSA-N 0 3 321.417 2.715 20 10 DFCDHN CCOc1cccc(C[N@H+](CCC(=O)OC)CC(C)C)c1[O-] ZINC000091922722 193126998 /nfs/dbraw/zinc/12/69/98/193126998.db2.gz YPUQHTBIYBDAMS-UHFFFAOYSA-N 0 3 309.406 2.812 20 10 DFCDHN CCOc1cccc(C[N@@H+](CCC(=O)OC)CC(C)C)c1[O-] ZINC000091922722 193127000 /nfs/dbraw/zinc/12/70/00/193127000.db2.gz YPUQHTBIYBDAMS-UHFFFAOYSA-N 0 3 309.406 2.812 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000093272169 193223168 /nfs/dbraw/zinc/22/31/68/193223168.db2.gz DLCXNDWCEQXWTB-UHFFFAOYSA-N 0 3 312.417 2.511 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000093272169 193223170 /nfs/dbraw/zinc/22/31/70/193223170.db2.gz DLCXNDWCEQXWTB-UHFFFAOYSA-N 0 3 312.417 2.511 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000272388090 130025803 /nfs/dbraw/zinc/02/58/03/130025803.db2.gz INHLKZMTWFCSNL-UHFFFAOYSA-N 0 3 306.303 2.648 20 10 DFCDHN COCC[C@H](NCc1cc2c(cc1O)OCO2)c1ccc(C)o1 ZINC000272388646 130026403 /nfs/dbraw/zinc/02/64/03/130026403.db2.gz ZCLZGQSCPATVCK-ZDUSSCGKSA-N 0 3 319.357 2.890 20 10 DFCDHN COc1cc(C[NH2+][C@H](C)c2ccccc2[O-])ccc1OCCO ZINC000272842079 130068938 /nfs/dbraw/zinc/06/89/38/130068938.db2.gz JWALDOXGVHYHIF-CYBMUJFWSA-N 0 3 317.385 2.623 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccccc1[O-] ZINC000272877007 130071162 /nfs/dbraw/zinc/07/11/62/130071162.db2.gz PTILTSHSPHQOMX-YOEHRIQHSA-N 0 3 310.397 2.844 20 10 DFCDHN COCCN1CC[C@H]([NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)C1 ZINC000273361017 130110964 /nfs/dbraw/zinc/11/09/64/130110964.db2.gz AGZILJKSPPTKIP-YOEHRIQHSA-N 0 3 318.461 2.642 20 10 DFCDHN COc1cc(Cl)cc(CN2CCN(C3CCC3)CC2)c1O ZINC000273789884 130167947 /nfs/dbraw/zinc/16/79/47/130167947.db2.gz VDPQECZFNNERIB-UHFFFAOYSA-N 0 3 310.825 2.724 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]CCCn2ccnc2C)c1[O-] ZINC000273811642 130170225 /nfs/dbraw/zinc/17/02/25/130170225.db2.gz YZDXKDZOEDZBDD-UHFFFAOYSA-N 0 3 309.797 2.739 20 10 DFCDHN CC(=O)N(C[C@H]1CCCN1Cc1ccc(N(C)C)cc1)C1CC1 ZINC000275852406 130399733 /nfs/dbraw/zinc/39/97/33/130399733.db2.gz WYPWIARFOVKJCM-LJQANCHMSA-N 0 3 315.461 2.728 20 10 DFCDHN CCCOc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)c([O-])c1 ZINC000280592465 130807816 /nfs/dbraw/zinc/80/78/16/130807816.db2.gz IQVSVTBZTWBONJ-OAQYLSRUSA-N 0 3 311.447 2.572 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCC(O)CC2)c([O-])c1 ZINC000284103068 131049531 /nfs/dbraw/zinc/04/95/31/131049531.db2.gz MWFYIXSGNJGLTB-HNNXBMFYSA-N 0 3 306.450 2.506 20 10 DFCDHN Cn1ccnc1[C@@H](NCc1cc(F)ccc1O)C1CCOCC1 ZINC000284476271 131084212 /nfs/dbraw/zinc/08/42/12/131084212.db2.gz BBBJLNUNTPJLNJ-INIZCTEOSA-N 0 3 319.380 2.522 20 10 DFCDHN CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000284572068 131093261 /nfs/dbraw/zinc/09/32/61/131093261.db2.gz NDRUTPNXUIWACA-ZWKOTPCHSA-N 0 3 313.397 2.641 20 10 DFCDHN CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000284572068 131093263 /nfs/dbraw/zinc/09/32/63/131093263.db2.gz NDRUTPNXUIWACA-ZWKOTPCHSA-N 0 3 313.397 2.641 20 10 DFCDHN CO[C@H]1C[C@@H](C[N@H+](C)Cc2c([O-])ccc3ccccc32)N(C)C1 ZINC000284832359 131114539 /nfs/dbraw/zinc/11/45/39/131114539.db2.gz OYPTYMMWZLLZHM-HOTGVXAUSA-N 0 3 314.429 2.696 20 10 DFCDHN CO[C@H]1C[C@@H](C[N@@H+](C)Cc2c([O-])ccc3ccccc32)N(C)C1 ZINC000284832359 131114541 /nfs/dbraw/zinc/11/45/41/131114541.db2.gz OYPTYMMWZLLZHM-HOTGVXAUSA-N 0 3 314.429 2.696 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c([O-])c1 ZINC000284966634 131127391 /nfs/dbraw/zinc/12/73/91/131127391.db2.gz FQPCWQJVBBPNJE-ZDUSSCGKSA-N 0 3 311.447 2.627 20 10 DFCDHN CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000289336189 131375036 /nfs/dbraw/zinc/37/50/36/131375036.db2.gz HFBSXWYEHGINBY-HNNXBMFYSA-N 0 3 306.406 2.801 20 10 DFCDHN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000289336189 131375037 /nfs/dbraw/zinc/37/50/37/131375037.db2.gz HFBSXWYEHGINBY-HNNXBMFYSA-N 0 3 306.406 2.801 20 10 DFCDHN CNC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000291912102 131608717 /nfs/dbraw/zinc/60/87/17/131608717.db2.gz MYGXAQZWEQCSPB-GJZGRUSLSA-N 0 3 303.450 2.852 20 10 DFCDHN CNC(=O)CCNCc1ccc(N(C)Cc2cccs2)cc1 ZINC000296559936 131970870 /nfs/dbraw/zinc/97/08/70/131970870.db2.gz VDMHKSNLKFWYMG-UHFFFAOYSA-N 0 3 317.458 2.610 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]Cc2cccc(CO)c2)c1[O-] ZINC000230934381 542893427 /nfs/dbraw/zinc/89/34/27/542893427.db2.gz OQVZISIIKFAHAN-UHFFFAOYSA-N 0 3 307.777 2.836 20 10 DFCDHN CN1CCCc2cc(CNCc3cnn(CC(F)F)c3)ccc21 ZINC000293010227 543018475 /nfs/dbraw/zinc/01/84/75/543018475.db2.gz ONCVJIBYEKAXEW-UHFFFAOYSA-N 0 3 320.387 2.820 20 10 DFCDHN CN(C)c1ccc(CNC[C@H](O)Cc2ccccc2)cc1F ZINC000113337563 426113255 /nfs/dbraw/zinc/11/32/55/426113255.db2.gz CEFLNUKZWPYUKH-MRXNPFEDSA-N 0 3 302.393 2.585 20 10 DFCDHN Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)c(C)n1-c1ccccc1 ZINC000170863017 426156043 /nfs/dbraw/zinc/15/60/43/426156043.db2.gz CBWSIYBDPKVPLK-KRWDZBQOSA-N 0 3 311.429 2.870 20 10 DFCDHN C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000120554741 426312305 /nfs/dbraw/zinc/31/23/05/426312305.db2.gz ZZZVWGXKLOJPQC-KFWWJZLASA-N 0 3 303.450 2.630 20 10 DFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1Cl ZINC000121138993 426322060 /nfs/dbraw/zinc/32/20/60/426322060.db2.gz DODXCXXSQMHMTM-CQSZACIVSA-N 0 3 321.804 2.917 20 10 DFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1Cl ZINC000121138993 426322063 /nfs/dbraw/zinc/32/20/63/426322063.db2.gz DODXCXXSQMHMTM-CQSZACIVSA-N 0 3 321.804 2.917 20 10 DFCDHN CCCOc1ccc(C[NH+]2CCC(n3cncn3)CC2)c([O-])c1 ZINC000092648065 426351487 /nfs/dbraw/zinc/35/14/87/426351487.db2.gz RTDPWLDOFPSZME-UHFFFAOYSA-N 0 3 316.405 2.610 20 10 DFCDHN Oc1ccc2ccccc2c1CN1CCO[C@@H](Cn2cccn2)C1 ZINC000152814568 426354959 /nfs/dbraw/zinc/35/49/59/426354959.db2.gz ZKZGLTCCICFPTJ-MRXNPFEDSA-N 0 3 323.396 2.643 20 10 DFCDHN CCN(CC)c1ccc(CNC[C@@]2(O)CCSC2)cc1F ZINC000176754215 426412132 /nfs/dbraw/zinc/41/21/32/426412132.db2.gz SRVKHRUININIJT-INIZCTEOSA-N 0 3 312.454 2.630 20 10 DFCDHN CC(C)OC[C@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000154187308 426428752 /nfs/dbraw/zinc/42/87/52/426428752.db2.gz YXCOCWCJRYEQKD-LJQANCHMSA-N 0 3 320.477 2.895 20 10 DFCDHN CCCNC(=O)C1([NH2+]Cc2cc(OC)ccc2[O-])CCCCC1 ZINC000154529592 426443403 /nfs/dbraw/zinc/44/34/03/426443403.db2.gz NFHRJBKXATUTTR-UHFFFAOYSA-N 0 3 320.433 2.720 20 10 DFCDHN CCCNC(=O)C1(NCc2cc(OC)ccc2O)CCCCC1 ZINC000154529592 426443405 /nfs/dbraw/zinc/44/34/05/426443405.db2.gz NFHRJBKXATUTTR-UHFFFAOYSA-N 0 3 320.433 2.720 20 10 DFCDHN CC[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1[O-] ZINC000155033440 426461546 /nfs/dbraw/zinc/46/15/46/426461546.db2.gz MYFVIHCMSKOOAY-OAHLLOKOSA-N 0 3 314.433 2.994 20 10 DFCDHN CN(C)c1ccc(CN[C@@H]2C=C[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000280216463 426522563 /nfs/dbraw/zinc/52/25/63/426522563.db2.gz IPFSDGVFCRDQPY-WCQYABFASA-N 0 3 314.351 2.798 20 10 DFCDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000264351594 426542088 /nfs/dbraw/zinc/54/20/88/426542088.db2.gz HESQLNHZSYZYJA-QGZVFWFLSA-N 0 3 320.396 2.755 20 10 DFCDHN C/C=C/C[C@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000186532324 426544064 /nfs/dbraw/zinc/54/40/64/426544064.db2.gz FGFPEMAOCHNWPF-ITDFMYJTSA-N 0 3 314.223 2.880 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cc(F)ccc1[O-] ZINC000186172371 426491144 /nfs/dbraw/zinc/49/11/44/426491144.db2.gz AYKZXIGDTVKESU-TZMCWYRMSA-N 0 3 301.365 2.856 20 10 DFCDHN CC(C)OCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186642145 426568937 /nfs/dbraw/zinc/56/89/37/426568937.db2.gz NZMXVLBABHHSCD-AWEZNQCLSA-N 0 3 310.413 2.738 20 10 DFCDHN CCN(C)C(=O)CN[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000186816870 426596074 /nfs/dbraw/zinc/59/60/74/426596074.db2.gz KWUYZBYKAQTLRQ-OAHLLOKOSA-N 0 3 303.450 2.806 20 10 DFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)O)c1[O-] ZINC000187190456 426636322 /nfs/dbraw/zinc/63/63/22/426636322.db2.gz MSLDGERUSYWTNM-SECBINFHSA-N 0 3 302.212 2.885 20 10 DFCDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CC[C@@H](C)O)c1[O-] ZINC000187207655 426638391 /nfs/dbraw/zinc/63/83/91/426638391.db2.gz SBKWCWYFEJRHIV-NXEZZACHSA-N 0 3 302.212 2.885 20 10 DFCDHN Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289659084 426671489 /nfs/dbraw/zinc/67/14/89/426671489.db2.gz NDTCHYLCEOEOEV-QWHCGFSZSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289659084 426671493 /nfs/dbraw/zinc/67/14/93/426671493.db2.gz NDTCHYLCEOEOEV-QWHCGFSZSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1cccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289659084 426671500 /nfs/dbraw/zinc/67/15/00/426671500.db2.gz NDTCHYLCEOEOEV-QWHCGFSZSA-N 0 3 303.324 2.693 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]CCc2cccnc2OC)c1 ZINC000289722565 426672807 /nfs/dbraw/zinc/67/28/07/426672807.db2.gz GDJUQUQNSMHWAI-UHFFFAOYSA-N 0 3 302.374 2.527 20 10 DFCDHN CCN(Cc1ccncc1)Cc1cc(OC)c(OC)cc1O ZINC000289747384 426673709 /nfs/dbraw/zinc/67/37/09/426673709.db2.gz IXEPYKZSWTYMPF-UHFFFAOYSA-N 0 3 302.374 2.827 20 10 DFCDHN COC[C@]1(C[NH2+]Cc2ccccc2[O-])OCCc2ccccc21 ZINC000289836933 426675995 /nfs/dbraw/zinc/67/59/95/426675995.db2.gz MZCUWPIIKDZTJA-IBGZPJMESA-N 0 3 313.397 2.596 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289897876 426677402 /nfs/dbraw/zinc/67/74/02/426677402.db2.gz WRFPQRLLDVYBOL-QWHCGFSZSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289897876 426677407 /nfs/dbraw/zinc/67/74/07/426677407.db2.gz WRFPQRLLDVYBOL-QWHCGFSZSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000289897876 426677412 /nfs/dbraw/zinc/67/74/12/426677412.db2.gz WRFPQRLLDVYBOL-QWHCGFSZSA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000290158970 426705234 /nfs/dbraw/zinc/70/52/34/426705234.db2.gz LRCDTYLUZFROEZ-WMLDXEAASA-N 0 3 319.788 2.938 20 10 DFCDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000273595927 426694409 /nfs/dbraw/zinc/69/44/09/426694409.db2.gz QOWHBIVFPPMKND-CQSZACIVSA-N 0 3 314.429 2.653 20 10 DFCDHN Nc1ccc(CC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000237904450 426696094 /nfs/dbraw/zinc/69/60/94/426696094.db2.gz YJCBWOHPCDWEHM-LJQANCHMSA-N 0 3 323.440 2.592 20 10 DFCDHN CN(C[C@@H](O)CSc1ncc(-c2ccccc2)n1C)C1CC1 ZINC000290501203 426779580 /nfs/dbraw/zinc/77/95/80/426779580.db2.gz ASNGVZVTKNBZAT-OAHLLOKOSA-N 0 3 317.458 2.634 20 10 DFCDHN C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(F)ccc2[O-])C[C@@H](C)O1 ZINC000245943308 426784979 /nfs/dbraw/zinc/78/49/79/426784979.db2.gz KCNJVBMIBYWIEG-CKEIUWERSA-N 0 3 322.424 2.605 20 10 DFCDHN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2[O-])C[C@@H](C)O1 ZINC000245943308 426784983 /nfs/dbraw/zinc/78/49/83/426784983.db2.gz KCNJVBMIBYWIEG-CKEIUWERSA-N 0 3 322.424 2.605 20 10 DFCDHN CCOc1cccc(CN2CCCN(CC(F)F)CC2)c1O ZINC000290353156 426747819 /nfs/dbraw/zinc/74/78/19/426747819.db2.gz GFGJBQSJFCEHRO-UHFFFAOYSA-N 0 3 314.376 2.564 20 10 DFCDHN Cc1csc(N2CCN(Cc3cccc(C)c3O)CC2)n1 ZINC000179684229 426812036 /nfs/dbraw/zinc/81/20/36/426812036.db2.gz MYSSFQHCUUWQMA-UHFFFAOYSA-N 0 3 303.431 2.788 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cc2c(cc1[O-])CCCC2 ZINC000282455979 426916595 /nfs/dbraw/zinc/91/65/95/426916595.db2.gz VIGFOSPLNMCGKY-MKBNYLNASA-N 0 3 302.418 2.589 20 10 DFCDHN COc1cccc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000290881606 426862335 /nfs/dbraw/zinc/86/23/35/426862335.db2.gz KUQOLQRYDDNZOI-NVXWUHKLSA-N 0 3 303.402 2.934 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@H]2CCCc3nn(C)cc32)c1 ZINC000282312112 426878851 /nfs/dbraw/zinc/87/88/51/426878851.db2.gz DNOBDWJIOPMJHJ-NHYWBVRUSA-N 0 3 301.390 2.863 20 10 DFCDHN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291189840 426879986 /nfs/dbraw/zinc/87/99/86/426879986.db2.gz GMEDHWKJRGRYBK-CYBMUJFWSA-N 0 3 322.206 2.798 20 10 DFCDHN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291189840 426879990 /nfs/dbraw/zinc/87/99/90/426879990.db2.gz GMEDHWKJRGRYBK-CYBMUJFWSA-N 0 3 322.206 2.798 20 10 DFCDHN C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282432645 426911663 /nfs/dbraw/zinc/91/16/63/426911663.db2.gz RJNSIGQXLGUMOO-SUMWQHHRSA-N 0 3 310.397 2.816 20 10 DFCDHN CCOc1ccc(O)c(CN[C@H]2CCCc3nn(C)cc32)c1 ZINC000282943915 426933877 /nfs/dbraw/zinc/93/38/77/426933877.db2.gz IZNFYHGGALXALC-HNNXBMFYSA-N 0 3 301.390 2.692 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000283005319 426938315 /nfs/dbraw/zinc/93/83/15/426938315.db2.gz GORMPTXTRAUOND-HDMKZQKVSA-N 0 3 319.445 2.919 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)CC2 ZINC000295812130 427017355 /nfs/dbraw/zinc/01/73/55/427017355.db2.gz CTTAABXSDRRKQV-AAEUAGOBSA-N 0 3 314.351 2.853 20 10 DFCDHN CN(CC[NH2+][C@H]1CCc2cccc([O-])c21)C(=O)OC(C)(C)C ZINC000295789688 427018272 /nfs/dbraw/zinc/01/82/72/427018272.db2.gz AEWRWIARUSLXGB-ZDUSSCGKSA-N 0 3 306.406 2.836 20 10 DFCDHN C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268822670 427128356 /nfs/dbraw/zinc/12/83/56/427128356.db2.gz KIDROCMUIFVELM-DOTOQJQBSA-N 0 3 315.461 2.948 20 10 DFCDHN C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1[NH+](C)C ZINC000251894238 427167183 /nfs/dbraw/zinc/16/71/83/427167183.db2.gz VVDGYYWAAPXXBT-ZWNOBZJWSA-N 0 3 313.239 2.537 20 10 DFCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCC(F)(F)F ZINC000292554821 427192486 /nfs/dbraw/zinc/19/24/86/427192486.db2.gz HPVPPOCFLYBULT-CYBMUJFWSA-N 0 3 321.339 2.544 20 10 DFCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCC(F)(F)F ZINC000292554821 427192493 /nfs/dbraw/zinc/19/24/93/427192493.db2.gz HPVPPOCFLYBULT-CYBMUJFWSA-N 0 3 321.339 2.544 20 10 DFCDHN CN(C)c1ccc(CNCCn2cc(Br)cn2)cc1 ZINC000285349438 427210259 /nfs/dbraw/zinc/21/02/59/427210259.db2.gz AOGMDKNDZPVMHS-UHFFFAOYSA-N 0 3 323.238 2.501 20 10 DFCDHN COc1cccc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000270085913 427318900 /nfs/dbraw/zinc/31/89/00/427318900.db2.gz KCOKOITZOXFANK-YTEVENLXSA-N 0 3 319.426 2.989 20 10 DFCDHN COC1CCN(c2ccc(CN(C)[C@@H]3CCOC3)cc2)CC1 ZINC000297330307 427403113 /nfs/dbraw/zinc/40/31/13/427403113.db2.gz AERLFHWOBUIUAJ-QGZVFWFLSA-N 0 3 304.434 2.523 20 10 DFCDHN CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297504898 427407293 /nfs/dbraw/zinc/40/72/93/427407293.db2.gz CEVGFEMRIWQBPE-ZDUSSCGKSA-N 0 3 306.406 2.884 20 10 DFCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1C ZINC000278112380 427408721 /nfs/dbraw/zinc/40/87/21/427408721.db2.gz BMFSGQBOYVDKCZ-MRXNPFEDSA-N 0 3 314.433 2.501 20 10 DFCDHN CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297542494 427412295 /nfs/dbraw/zinc/41/22/95/427412295.db2.gz FDXUALKDZMYQGG-SJORKVTESA-N 0 3 324.424 2.669 20 10 DFCDHN Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(C)c3[O-])C2)n(C)n1 ZINC000278776711 427448315 /nfs/dbraw/zinc/44/83/15/427448315.db2.gz VCILYEJTKAEFCG-MRXNPFEDSA-N 0 3 314.433 2.501 20 10 DFCDHN C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000278784903 427451328 /nfs/dbraw/zinc/45/13/28/427451328.db2.gz ZPTSDQGBICXDJJ-IFXJQAMLSA-N 0 3 313.397 2.689 20 10 DFCDHN C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000278814879 427464942 /nfs/dbraw/zinc/46/49/42/427464942.db2.gz ZUZKSFDYOZFXHZ-ZIAGYGMSSA-N 0 3 310.413 2.683 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000271246136 427466712 /nfs/dbraw/zinc/46/67/12/427466712.db2.gz VPMRASVHHPVPJE-MRXNPFEDSA-N 0 3 319.376 2.623 20 10 DFCDHN CCCN(CCC)c1ccc(CN2CC[C@@H](NC(N)=O)C2)cc1 ZINC000271260418 427471814 /nfs/dbraw/zinc/47/18/14/427471814.db2.gz GZTKRYQSTKBHPR-MRXNPFEDSA-N 0 3 318.465 2.556 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)c1 ZINC000278428484 427440059 /nfs/dbraw/zinc/44/00/59/427440059.db2.gz JDSRYDCGMOTREG-CABCVRRESA-N 0 3 314.433 2.754 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1[O-] ZINC000184698071 427520107 /nfs/dbraw/zinc/52/01/07/427520107.db2.gz NPZLIHZCRFLVBT-UONOGXRCSA-N 0 3 310.825 2.723 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1[O-] ZINC000184698071 427520109 /nfs/dbraw/zinc/52/01/09/427520109.db2.gz NPZLIHZCRFLVBT-UONOGXRCSA-N 0 3 310.825 2.723 20 10 DFCDHN C[C@H]([NH2+]CCCN(C)C)c1ccc(Br)cc1[O-] ZINC000184842991 427548280 /nfs/dbraw/zinc/54/82/80/427548280.db2.gz QJNFHQXBLXZEOG-JTQLQIEISA-N 0 3 301.228 2.757 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)c1 ZINC000184915327 427564704 /nfs/dbraw/zinc/56/47/04/427564704.db2.gz PRIAIHOGZWBDMS-WBVHZDCISA-N 0 3 306.450 2.708 20 10 DFCDHN COc1cccc(CN[C@@H](CO)c2ccc(Cl)cc2)c1O ZINC000271558042 427580067 /nfs/dbraw/zinc/58/00/67/427580067.db2.gz RTZLAGDFDBZJRP-AWEZNQCLSA-N 0 3 307.777 2.877 20 10 DFCDHN CC[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccccc1[O-] ZINC000271688618 427580991 /nfs/dbraw/zinc/58/09/91/427580991.db2.gz JVLVPAXHBBMIMW-MRXNPFEDSA-N 0 3 319.426 2.907 20 10 DFCDHN CC[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1O ZINC000271776692 427585251 /nfs/dbraw/zinc/58/52/51/427585251.db2.gz DKVDWOFRNQQHRF-GXFFZTMASA-N 0 3 314.223 2.666 20 10 DFCDHN CC[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2[O-])C[C@H]1O ZINC000271776692 427585254 /nfs/dbraw/zinc/58/52/54/427585254.db2.gz DKVDWOFRNQQHRF-GXFFZTMASA-N 0 3 314.223 2.666 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000185052343 427586195 /nfs/dbraw/zinc/58/61/95/427586195.db2.gz USADEIVQOVJKBM-GFCCVEGCSA-N 0 3 307.390 2.737 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000271859796 427590937 /nfs/dbraw/zinc/59/09/37/427590937.db2.gz TUXILZLLODHPSM-GTNSWQLSSA-N 0 3 305.349 2.924 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)c1 ZINC000271870280 427591999 /nfs/dbraw/zinc/59/19/99/427591999.db2.gz XKCOBIDXUWIZFZ-PIGZYNQJSA-N 0 3 305.349 2.752 20 10 DFCDHN CCC[N@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000271836813 427593278 /nfs/dbraw/zinc/59/32/78/427593278.db2.gz SFAHLEKLUSEMIN-UHFFFAOYSA-N 0 3 302.212 2.667 20 10 DFCDHN CCC[N@@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000271836813 427593284 /nfs/dbraw/zinc/59/32/84/427593284.db2.gz SFAHLEKLUSEMIN-UHFFFAOYSA-N 0 3 302.212 2.667 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000271859788 427593544 /nfs/dbraw/zinc/59/35/44/427593544.db2.gz TUXILZLLODHPSM-APPDUMDISA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC(CCC(N)=O)CC2)c1[O-] ZINC000271869793 427593652 /nfs/dbraw/zinc/59/36/52/427593652.db2.gz RUPMFUCOUGHZTL-UHFFFAOYSA-N 0 3 310.825 2.832 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(OC)c(O)c2)c1 ZINC000185300747 427630366 /nfs/dbraw/zinc/63/03/66/427630366.db2.gz ATZXCBRLHKNCHH-LLVKDONJSA-N 0 3 303.358 2.966 20 10 DFCDHN CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185345039 427636233 /nfs/dbraw/zinc/63/62/33/427636233.db2.gz MDCOEBISWXSQQJ-DLBZAZTESA-N 0 3 319.493 2.625 20 10 DFCDHN Cc1cccnc1CCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000294983315 427670233 /nfs/dbraw/zinc/67/02/33/427670233.db2.gz JZHICLQDBSGIOH-UHFFFAOYSA-N 0 3 300.358 2.547 20 10 DFCDHN CC(C)OC[C@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298725521 427690361 /nfs/dbraw/zinc/69/03/61/427690361.db2.gz MQAHCLYQZRCGGU-GOSISDBHSA-N 0 3 306.450 2.503 20 10 DFCDHN CCOc1cccc(C[N@@H+]2C[C@H](C(=O)OC)C3(CCC3)C2)c1[O-] ZINC000369650617 428025156 /nfs/dbraw/zinc/02/51/56/428025156.db2.gz VLPGUJKSQYMADH-CQSZACIVSA-N 0 3 319.401 2.566 20 10 DFCDHN CCOc1cccc(C[N@H+]2C[C@H](C(=O)OC)C3(CCC3)C2)c1[O-] ZINC000369650617 428025161 /nfs/dbraw/zinc/02/51/61/428025161.db2.gz VLPGUJKSQYMADH-CQSZACIVSA-N 0 3 319.401 2.566 20 10 DFCDHN CN(C)c1ccc(C2=CCN(CCO[C@@H]3CCCCO3)C2)cc1 ZINC000369728741 428047103 /nfs/dbraw/zinc/04/71/03/428047103.db2.gz CUGDGLLADVQQQN-LJQANCHMSA-N 0 3 316.445 2.995 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@H]2Cn2cncn2)cc1 ZINC000359977067 428101232 /nfs/dbraw/zinc/10/12/32/428101232.db2.gz JHIBXZCKVDPAJZ-SFHVURJKSA-N 0 3 313.449 2.789 20 10 DFCDHN C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1[O-] ZINC000370351537 428191621 /nfs/dbraw/zinc/19/16/21/428191621.db2.gz PWMNEUAAQWSVDQ-BHYGNILZSA-N 0 3 304.434 2.686 20 10 DFCDHN CC(C)[C@H](C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)N(C)C ZINC000370650809 428265285 /nfs/dbraw/zinc/26/52/85/428265285.db2.gz NICFKMYRNWGSGO-GOSISDBHSA-N 0 3 315.461 2.564 20 10 DFCDHN O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000371530226 428394658 /nfs/dbraw/zinc/39/46/58/428394658.db2.gz WZQVGVDJPGQDQT-HNNXBMFYSA-N 0 3 306.381 2.508 20 10 DFCDHN O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000371530226 428394663 /nfs/dbraw/zinc/39/46/63/428394663.db2.gz WZQVGVDJPGQDQT-HNNXBMFYSA-N 0 3 306.381 2.508 20 10 DFCDHN Cc1cc(O)c(CN2CCCC[C@@H]2C(=O)N2CCCC2)cc1C ZINC000372417512 428445812 /nfs/dbraw/zinc/44/58/12/428445812.db2.gz WRUONEXKPDNERL-QGZVFWFLSA-N 0 3 316.445 2.986 20 10 DFCDHN CCCC(=O)N1CCCN(Cc2cccc(OCC)c2O)CC1 ZINC000372427022 428447177 /nfs/dbraw/zinc/44/71/77/428447177.db2.gz AKXWCBMAFPASAN-UHFFFAOYSA-N 0 3 320.433 2.625 20 10 DFCDHN CC[C@H]1CN(Cc2cccc(OC)c2O)C[C@@]2(CCCOC2)O1 ZINC000373464310 428583131 /nfs/dbraw/zinc/58/31/31/428583131.db2.gz DSUWAQJSDDNREQ-MAUKXSAKSA-N 0 3 321.417 2.561 20 10 DFCDHN CC[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000373477845 428588080 /nfs/dbraw/zinc/58/80/80/428588080.db2.gz CCFXCEKDXDTVJH-MSOLQXFVSA-N 0 3 304.434 2.523 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000373813649 428649433 /nfs/dbraw/zinc/64/94/33/428649433.db2.gz WODCRUVGRRXTHZ-ACJLOTCBSA-N 0 3 301.361 2.917 20 10 DFCDHN COc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373974911 428656593 /nfs/dbraw/zinc/65/65/93/428656593.db2.gz FZBJRWCAQCHWHK-SUNYJGFJSA-N 0 3 321.417 2.559 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@H]2CCC[N@H+]2C)c1[O-] ZINC000374189807 428667699 /nfs/dbraw/zinc/66/76/99/428667699.db2.gz LHZWYVNRFNAYFX-SJORKVTESA-N 0 3 320.408 2.793 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1[O-] ZINC000374189807 428667702 /nfs/dbraw/zinc/66/77/02/428667702.db2.gz LHZWYVNRFNAYFX-SJORKVTESA-N 0 3 320.408 2.793 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c1[O-] ZINC000374189804 428668472 /nfs/dbraw/zinc/66/84/72/428668472.db2.gz LHZWYVNRFNAYFX-IAGOWNOFSA-N 0 3 320.408 2.793 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c1[O-] ZINC000374189804 428668475 /nfs/dbraw/zinc/66/84/75/428668475.db2.gz LHZWYVNRFNAYFX-IAGOWNOFSA-N 0 3 320.408 2.793 20 10 DFCDHN Cc1c2ccccc2n(C)c1CNCc1cnc(N(C)C)n1C ZINC000419722929 428940796 /nfs/dbraw/zinc/94/07/96/428940796.db2.gz FEONMQSJPGRWPR-UHFFFAOYSA-N 0 3 311.433 2.576 20 10 DFCDHN C[C@@H]1[N@H+](Cc2cc3c(cc2[O-])OCO3)CCC12CCOCC2 ZINC000363864147 428999620 /nfs/dbraw/zinc/99/96/20/428999620.db2.gz CKDACIPIEQELGY-LBPRGKRZSA-N 0 3 305.374 2.512 20 10 DFCDHN C[C@@H]1[N@@H+](Cc2cc3c(cc2[O-])OCO3)CCC12CCOCC2 ZINC000363864147 428999626 /nfs/dbraw/zinc/99/96/26/428999626.db2.gz CKDACIPIEQELGY-LBPRGKRZSA-N 0 3 305.374 2.512 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1[O-] ZINC000364074913 429167894 /nfs/dbraw/zinc/16/78/94/429167894.db2.gz UUEOLFNAGHWAQF-MRXNPFEDSA-N 0 3 302.418 2.678 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)c1[O-] ZINC000364074913 429167896 /nfs/dbraw/zinc/16/78/96/429167896.db2.gz UUEOLFNAGHWAQF-MRXNPFEDSA-N 0 3 302.418 2.678 20 10 DFCDHN CC[C@H](c1ccccc1O)N1CCc2nnc(N(C)C)cc2C1 ZINC000366692402 429496541 /nfs/dbraw/zinc/49/65/41/429496541.db2.gz SAERKPGBASUODB-MRXNPFEDSA-N 0 3 312.417 2.758 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1[O-] ZINC000367039830 429563498 /nfs/dbraw/zinc/56/34/98/429563498.db2.gz AUIJWWMBFHMBKP-NVXWUHKLSA-N 0 3 324.424 2.886 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000367472803 429657181 /nfs/dbraw/zinc/65/71/81/429657181.db2.gz WBDMCTOLZXTBKM-CQSZACIVSA-N 0 3 315.417 2.904 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1 ZINC000367472803 429657184 /nfs/dbraw/zinc/65/71/84/429657184.db2.gz WBDMCTOLZXTBKM-CQSZACIVSA-N 0 3 315.417 2.904 20 10 DFCDHN CC[C@H](COC)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000268881146 287889386 /nfs/dbraw/zinc/88/93/86/287889386.db2.gz RMXHMRXPGJLDBX-IIAWOOMASA-N 0 3 324.440 2.954 20 10 DFCDHN CCOc1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c([O-])c1 ZINC000527811318 429803955 /nfs/dbraw/zinc/80/39/55/429803955.db2.gz QTKZEFLZZNCHFS-UHFFFAOYSA-N 0 3 320.433 2.529 20 10 DFCDHN COCCn1cc2c(n1)[C@@H](N[C@H](C)c1ccccc1O)CCC2 ZINC000368187397 429806083 /nfs/dbraw/zinc/80/60/83/429806083.db2.gz FWLXYNHLSFHXTM-CJNGLKHVSA-N 0 3 315.417 2.963 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)c1 ZINC000368477085 429854860 /nfs/dbraw/zinc/85/48/60/429854860.db2.gz BJKLSCVKYFJBAX-CYBMUJFWSA-N 0 3 315.417 2.827 20 10 DFCDHN COCCn1ncc2c1[C@@H](NCc1cc(C)ccc1O)CCC2 ZINC000368832147 429897133 /nfs/dbraw/zinc/89/71/33/429897133.db2.gz BXNYUBRYBWKHOC-INIZCTEOSA-N 0 3 315.417 2.711 20 10 DFCDHN COCCn1ncc2c1[C@@H]([NH2+]Cc1cc(C)ccc1[O-])CCC2 ZINC000368832147 429897135 /nfs/dbraw/zinc/89/71/35/429897135.db2.gz BXNYUBRYBWKHOC-INIZCTEOSA-N 0 3 315.417 2.711 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1C ZINC000369278557 429922276 /nfs/dbraw/zinc/92/22/76/429922276.db2.gz RXOAZEXBVGWVBL-QGZVFWFLSA-N 0 3 316.445 2.986 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1C ZINC000369278557 429922277 /nfs/dbraw/zinc/92/22/77/429922277.db2.gz RXOAZEXBVGWVBL-QGZVFWFLSA-N 0 3 316.445 2.986 20 10 DFCDHN Cc1cc(O)c(CN2CCC[C@@H](N3CCCCC3=O)C2)cc1C ZINC000369278557 429922278 /nfs/dbraw/zinc/92/22/78/429922278.db2.gz RXOAZEXBVGWVBL-QGZVFWFLSA-N 0 3 316.445 2.986 20 10 DFCDHN COc1cccc(CN2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000289737659 278010469 /nfs/dbraw/zinc/01/04/69/278010469.db2.gz PYKCSXPBDPGZKL-CQSZACIVSA-N 0 3 319.323 2.680 20 10 DFCDHN C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185028879 278194270 /nfs/dbraw/zinc/19/42/70/278194270.db2.gz AJNNHFRQZSZXMK-HUUCEWRRSA-N 0 3 318.461 2.642 20 10 DFCDHN COC[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293563373 335109234 /nfs/dbraw/zinc/10/92/34/335109234.db2.gz CYLQNARAWVORLC-SJLPKXTDSA-N 0 3 315.413 2.663 20 10 DFCDHN CCOc1cccc(CN2CCCNC(=O)[C@@H]2CC(C)C)c1O ZINC000293514043 335111270 /nfs/dbraw/zinc/11/12/70/335111270.db2.gz AKHPCXJJTQHCBR-HNNXBMFYSA-N 0 3 320.433 2.528 20 10 DFCDHN Cc1ccc(O)c(CN[C@@H](c2cccnc2)C(C)(C)CO)c1 ZINC000293635333 335113669 /nfs/dbraw/zinc/11/36/69/335113669.db2.gz LTMNMXYEZAFJLX-KRWDZBQOSA-N 0 3 300.402 2.945 20 10 DFCDHN C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1cc(F)ccc1[O-] ZINC000185492717 333209359 /nfs/dbraw/zinc/20/93/59/333209359.db2.gz DRDAVUUZYKBGBE-KBPBESRZSA-N 0 3 322.424 2.683 20 10 DFCDHN CCCN(CCC)c1ccc(CN[C@H]2CCCNC2=O)cc1 ZINC000294979854 335129128 /nfs/dbraw/zinc/12/91/28/335129128.db2.gz GMKXJQBEZUTNDI-KRWDZBQOSA-N 0 3 303.450 2.681 20 10 DFCDHN COc1cc(O)c(CN(C)[C@@H](CO)c2ccccc2)cc1OC ZINC000295132814 335132582 /nfs/dbraw/zinc/13/25/82/335132582.db2.gz YJISHHULIQXQQQ-HNNXBMFYSA-N 0 3 317.385 2.575 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCn2nc(C)cc2C)c1 ZINC000184872206 333367806 /nfs/dbraw/zinc/36/78/06/333367806.db2.gz YQZMEEXDMHTFHQ-CQSZACIVSA-N 0 3 303.406 2.955 20 10 DFCDHN CCOC(=O)c1cc(CNCc2cccc(OC)c2O)[nH]c1C ZINC000296064940 335141151 /nfs/dbraw/zinc/14/11/51/335141151.db2.gz PLOYTTWXTKKPNU-UHFFFAOYSA-N 0 3 318.373 2.504 20 10 DFCDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1Cc1ccccc1 ZINC000296964153 335150471 /nfs/dbraw/zinc/15/04/71/335150471.db2.gz RHQCJLJGXMDYMT-DLBZAZTESA-N 0 3 322.408 2.770 20 10 DFCDHN COc1ccc(CN[C@H]2CCCO[C@@H]2c2nccn2C)cc1C ZINC000275515101 334071605 /nfs/dbraw/zinc/07/16/05/334071605.db2.gz KQDHJCWMGYXUGO-RDJZCZTQSA-N 0 3 315.417 2.747 20 10 DFCDHN CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-])C1CC1 ZINC000275892759 334073848 /nfs/dbraw/zinc/07/38/48/334073848.db2.gz ZQXARUYJDSLHRS-KRWDZBQOSA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1cccc(C)c1[O-])C1CC1 ZINC000275892759 334073850 /nfs/dbraw/zinc/07/38/50/334073850.db2.gz ZQXARUYJDSLHRS-KRWDZBQOSA-N 0 3 302.418 2.676 20 10 DFCDHN CO[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000295066227 334216860 /nfs/dbraw/zinc/21/68/60/334216860.db2.gz ROMBLYZPWDKADG-FZKQIMNGSA-N 0 3 322.424 2.738 20 10 DFCDHN CC[C@@H](CO)[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000295078599 334217576 /nfs/dbraw/zinc/21/75/76/334217576.db2.gz HZDZTIXZYNLXEV-LBPRGKRZSA-N 0 3 302.212 2.666 20 10 DFCDHN CC[C@@H](CO)[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000295078599 334217578 /nfs/dbraw/zinc/21/75/78/334217578.db2.gz HZDZTIXZYNLXEV-LBPRGKRZSA-N 0 3 302.212 2.666 20 10 DFCDHN O=C([C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1)N1CCCCC1 ZINC000366724392 334421176 /nfs/dbraw/zinc/42/11/76/334421176.db2.gz DDDCMVQNLJDLIY-CJNGLKHVSA-N 0 3 320.408 2.802 20 10 DFCDHN CCC[C@H](C(=O)NCc1c(C)c2ccccc2n1C)N(C)C ZINC000352126969 336195752 /nfs/dbraw/zinc/19/57/52/336195752.db2.gz ZODNFSJMICFHJC-MRXNPFEDSA-N 0 3 301.434 2.833 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)c([O-])c1 ZINC000192810138 336263877 /nfs/dbraw/zinc/26/38/77/336263877.db2.gz VYFJJEGKLJMLOK-GJZGRUSLSA-N 0 3 312.417 2.810 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C23CCC3)cc1OC ZINC000368033589 336836045 /nfs/dbraw/zinc/83/60/45/336836045.db2.gz GTIALFLKLRGMNK-LQAWEQHXSA-N 0 3 321.417 2.703 20 10 DFCDHN Cc1cccnc1C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000368286046 336841862 /nfs/dbraw/zinc/84/18/62/336841862.db2.gz CIZTVSAYIJGGMO-UHFFFAOYSA-N 0 3 312.369 2.646 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCc3ccccc3OC1)OCO2 ZINC000370284886 336881740 /nfs/dbraw/zinc/88/17/40/336881740.db2.gz HNBBQJKSBDPDPE-CQSZACIVSA-N 0 3 313.353 2.604 20 10 DFCDHN [O-]c1cc2c(cc1C[NH+]1CCC([C@H]3CCCOC3)CC1)OCO2 ZINC000371587463 336908467 /nfs/dbraw/zinc/90/84/67/336908467.db2.gz DDAMAAQCISFQKP-AWEZNQCLSA-N 0 3 319.401 2.760 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1CO ZINC000373813657 336973560 /nfs/dbraw/zinc/97/35/60/336973560.db2.gz WODCRUVGRRXTHZ-UGSOOPFHSA-N 0 3 301.361 2.917 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(C)cc1[O-] ZINC000375307038 337007740 /nfs/dbraw/zinc/00/77/40/337007740.db2.gz ZXFVLZKGUWQMAN-HDMKZQKVSA-N 0 3 302.418 2.799 20 10 DFCDHN CCc1nnc2n1C[C@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])CC2 ZINC000375851589 337021414 /nfs/dbraw/zinc/02/14/14/337021414.db2.gz UYCAAFBKOUVMAU-CHWSQXEVSA-N 0 3 300.406 2.520 20 10 DFCDHN CCc1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])CC2 ZINC000375853400 337021473 /nfs/dbraw/zinc/02/14/73/337021473.db2.gz YZEPXCKBIZIDEI-QWHCGFSZSA-N 0 3 300.406 2.520 20 10 DFCDHN CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])CC2 ZINC000375853401 337021588 /nfs/dbraw/zinc/02/15/88/337021588.db2.gz YZEPXCKBIZIDEI-STQMWFEESA-N 0 3 300.406 2.520 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000375862059 337021739 /nfs/dbraw/zinc/02/17/39/337021739.db2.gz SCWHQSQLLUPFQG-ZWKOTPCHSA-N 0 3 316.445 2.984 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000375862059 337021740 /nfs/dbraw/zinc/02/17/40/337021740.db2.gz SCWHQSQLLUPFQG-ZWKOTPCHSA-N 0 3 316.445 2.984 20 10 DFCDHN O=C([C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1)N1CCCCC1 ZINC000376009131 337025153 /nfs/dbraw/zinc/02/51/53/337025153.db2.gz VTVQDGMDKZDQFU-ZBFHGGJFSA-N 0 3 302.418 2.663 20 10 DFCDHN COc1ccc(N2CCCN(CCOC3CCC3)CC2)cc1 ZINC000376508575 337035419 /nfs/dbraw/zinc/03/54/19/337035419.db2.gz VVZNXZOOXJSVKV-UHFFFAOYSA-N 0 3 304.434 2.776 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1cc(F)ccc1[O-] ZINC000376896179 337043393 /nfs/dbraw/zinc/04/33/93/337043393.db2.gz YXQQVVWGZMKYFZ-XKQJLSEDSA-N 0 3 322.424 2.825 20 10 DFCDHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000376940822 337043876 /nfs/dbraw/zinc/04/38/76/337043876.db2.gz KNIXGWYKOAEPED-HZPDHXFCSA-N 0 3 321.417 2.552 20 10 DFCDHN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000376940822 337043877 /nfs/dbraw/zinc/04/38/77/337043877.db2.gz KNIXGWYKOAEPED-HZPDHXFCSA-N 0 3 321.417 2.552 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+](C)C[C@H]2CCn3ccnc3C2)c1 ZINC000377860819 337062804 /nfs/dbraw/zinc/06/28/04/337062804.db2.gz OFMQMGVADRXLEH-KGLIPLIRSA-N 0 3 315.417 2.853 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+](C)C[C@H]2CCn3ccnc3C2)c1 ZINC000377860819 337062805 /nfs/dbraw/zinc/06/28/05/337062805.db2.gz OFMQMGVADRXLEH-KGLIPLIRSA-N 0 3 315.417 2.853 20 10 DFCDHN CCn1ncc2c1CCC[C@H]2NCc1cc(OC)ccc1O ZINC000378453347 337073257 /nfs/dbraw/zinc/07/32/57/337073257.db2.gz INCLEPXWGGEDFM-OAHLLOKOSA-N 0 3 301.390 2.784 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000378524065 337075169 /nfs/dbraw/zinc/07/51/69/337075169.db2.gz YESHVHJQRYEPRW-SFHVURJKSA-N 0 3 317.360 2.633 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1[O-] ZINC000378524065 337075170 /nfs/dbraw/zinc/07/51/70/337075170.db2.gz YESHVHJQRYEPRW-SFHVURJKSA-N 0 3 317.360 2.633 20 10 DFCDHN C[C@H](NCc1cccnc1-n1cncn1)c1ccc(N(C)C)cc1 ZINC000178050715 337160134 /nfs/dbraw/zinc/16/01/34/337160134.db2.gz YYPURVPPPNZMHJ-AWEZNQCLSA-N 0 3 322.416 2.579 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c([O-])c1 ZINC000185553011 337249081 /nfs/dbraw/zinc/24/90/81/337249081.db2.gz RJNZIYCHAYJKQU-HUUCEWRRSA-N 0 3 314.433 2.754 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+]Cc1ccccc1-n1cccn1)OCO2 ZINC000238132451 340675811 /nfs/dbraw/zinc/67/58/11/340675811.db2.gz RKWQLUAACUUFMV-UHFFFAOYSA-N 0 3 323.352 2.596 20 10 DFCDHN COc1cccc(CN2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000246162103 341330604 /nfs/dbraw/zinc/33/06/04/341330604.db2.gz CSNHBQXVDFVCLJ-QGZVFWFLSA-N 0 3 312.413 2.890 20 10 DFCDHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179931543 519874377 /nfs/dbraw/zinc/87/43/77/519874377.db2.gz FCTJHWGNRYZDOV-OAHLLOKOSA-N 0 3 304.434 2.829 20 10 DFCDHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179931543 519874378 /nfs/dbraw/zinc/87/43/78/519874378.db2.gz FCTJHWGNRYZDOV-OAHLLOKOSA-N 0 3 304.434 2.829 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@H](CO)Cc2ccccc2)c([O-])c1 ZINC000131536160 520374924 /nfs/dbraw/zinc/37/49/24/520374924.db2.gz YVRGWFNKSOTYOR-KRWDZBQOSA-N 0 3 315.413 2.874 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@](C)(O)c2cccs2)c1[O-] ZINC000265787091 521365738 /nfs/dbraw/zinc/36/57/38/521365738.db2.gz PUEJGRUIIZBIRR-INIZCTEOSA-N 0 3 307.415 2.850 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)c1[O-] ZINC000157816904 521365854 /nfs/dbraw/zinc/36/58/54/521365854.db2.gz CCCADAHUWGHDQF-SFHVURJKSA-N 0 3 319.376 2.927 20 10 DFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(Cl)cc1 ZINC000264755082 523384861 /nfs/dbraw/zinc/38/48/61/523384861.db2.gz XLLVIFNGWILGKK-OAHLLOKOSA-N 0 3 321.804 2.917 20 10 DFCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccc(Cl)cc1 ZINC000264755082 523384873 /nfs/dbraw/zinc/38/48/73/523384873.db2.gz XLLVIFNGWILGKK-OAHLLOKOSA-N 0 3 321.804 2.917 20 10 DFCDHN CO[C@H](C)[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000191636190 523899034 /nfs/dbraw/zinc/89/90/34/523899034.db2.gz WPTUJFNZHBNBFX-MELADBBJSA-N 0 3 310.413 2.736 20 10 DFCDHN CN1CCc2cc(CN[C@@H]3C[C@H](CO)c4ccccc43)ccc21 ZINC000364987364 523997176 /nfs/dbraw/zinc/99/71/76/523997176.db2.gz FMWIPNTTZDNMGO-VQIMIIECSA-N 0 3 308.425 2.989 20 10 DFCDHN COc1ccc(CN[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1C ZINC000365660468 524090649 /nfs/dbraw/zinc/09/06/49/524090649.db2.gz GFEHBEDQQWYRDD-ZWKOTPCHSA-N 0 3 319.445 2.803 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1[O-] ZINC000365994256 524390756 /nfs/dbraw/zinc/39/07/56/524390756.db2.gz IOFYLLBWKRBXNW-UHFFFAOYSA-N 0 3 316.361 2.642 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000182447913 524762677 /nfs/dbraw/zinc/76/26/77/524762677.db2.gz GYZUWOBAJZGPDY-ACJLOTCBSA-N 0 3 301.386 2.959 20 10 DFCDHN Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000179878057 524762803 /nfs/dbraw/zinc/76/28/03/524762803.db2.gz WURNXSCQCIBBCS-LSDHHAIUSA-N 0 3 301.386 2.791 20 10 DFCDHN C[C@H](NCc1ccc2c(c1)CCO2)[C@@H](O)c1cccc(F)c1 ZINC000267160760 525449358 /nfs/dbraw/zinc/44/93/58/525449358.db2.gz FUHZRSYYXOGPLI-KPZWWZAWSA-N 0 3 301.361 2.972 20 10 DFCDHN COc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1O ZINC000237220685 526024104 /nfs/dbraw/zinc/02/41/04/526024104.db2.gz ZMFOWODLISVZHW-UHFFFAOYSA-N 0 3 304.365 2.896 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+](C)CC[C@H](C)O)c1[O-] ZINC000180307531 526158956 /nfs/dbraw/zinc/15/89/56/526158956.db2.gz RKMKQFNCRNRILO-JTQLQIEISA-N 0 3 302.212 2.666 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+](C)CC[C@H](C)O)c1[O-] ZINC000180307531 526158964 /nfs/dbraw/zinc/15/89/64/526158964.db2.gz RKMKQFNCRNRILO-JTQLQIEISA-N 0 3 302.212 2.666 20 10 DFCDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297468768 526682729 /nfs/dbraw/zinc/68/27/29/526682729.db2.gz YJXNINRZTDPJFT-PBFPGSCMSA-N 0 3 302.418 2.662 20 10 DFCDHN O=C1CC2(CN1)CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000267712359 526961526 /nfs/dbraw/zinc/96/15/26/526961526.db2.gz TXDQXWRZKBMAFL-UHFFFAOYSA-N 0 3 310.397 2.648 20 10 DFCDHN CCOC1CC2(C1)CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])C2 ZINC000285001301 535398378 /nfs/dbraw/zinc/39/83/78/535398378.db2.gz DEYIWQQXTPFLFZ-UHFFFAOYSA-N 0 3 321.417 2.800 20 10 DFCDHN CCOC1CC2(C1)CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])C2 ZINC000285001301 535398384 /nfs/dbraw/zinc/39/83/84/535398384.db2.gz DEYIWQQXTPFLFZ-UHFFFAOYSA-N 0 3 321.417 2.800 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2[O-])[C@@]12CCCO2 ZINC000273650484 535507790 /nfs/dbraw/zinc/50/77/90/535507790.db2.gz WLPGJQINCAIMGE-KSZLIROESA-N 0 3 305.418 2.825 20 10 DFCDHN CCN(CC)c1ccc(CNCC(C)(C)OCCO)cc1F ZINC000288561125 535686201 /nfs/dbraw/zinc/68/62/01/535686201.db2.gz YQILWSBZZGLFSE-UHFFFAOYSA-N 0 3 312.429 2.549 20 10 DFCDHN CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000274596574 535782448 /nfs/dbraw/zinc/78/24/48/535782448.db2.gz GMAFRJDUEMBCBC-KGLIPLIRSA-N 0 3 306.406 2.890 20 10 DFCDHN CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1[O-] ZINC000285687751 535894020 /nfs/dbraw/zinc/89/40/20/535894020.db2.gz OIBQXOVDFJNNDC-KRWDZBQOSA-N 0 3 323.456 2.598 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1OC ZINC000273208433 536856536 /nfs/dbraw/zinc/85/65/36/536856536.db2.gz SLWIGGRYBSNDOB-OLZOCXBDSA-N 0 3 309.406 2.704 20 10 DFCDHN Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737363861 598837275 /nfs/dbraw/zinc/83/72/75/598837275.db2.gz FOZQDOYUERRHER-GFCCVEGCSA-N 0 3 309.373 2.732 20 10 DFCDHN CC[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(N(C)C)cc1 ZINC000089680111 398463817 /nfs/dbraw/zinc/46/38/17/398463817.db2.gz RHRSLPYFOARTKX-MOPGFXCFSA-N 0 3 317.477 2.657 20 10 DFCDHN CCN(CC)c1ccc(CN(C)CCNC(=O)C(C)C)cc1 ZINC000092104417 193159190 /nfs/dbraw/zinc/15/91/90/193159190.db2.gz YSPFIWIAWXFTNY-UHFFFAOYSA-N 0 3 305.466 2.737 20 10 DFCDHN CCOc1cccc(C[NH2+]CCCNC(=O)OC(C)(C)C)c1[O-] ZINC000105433525 194104389 /nfs/dbraw/zinc/10/43/89/194104389.db2.gz SRYGUPHVJZCPTG-UHFFFAOYSA-N 0 3 324.421 2.795 20 10 DFCDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000366815215 335049743 /nfs/dbraw/zinc/04/97/43/335049743.db2.gz ZNCSXFGINUDESG-RLFYNMQTSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000366815215 335049744 /nfs/dbraw/zinc/04/97/44/335049744.db2.gz ZNCSXFGINUDESG-RLFYNMQTSA-N 0 3 305.418 2.859 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000366815215 335049745 /nfs/dbraw/zinc/04/97/45/335049745.db2.gz ZNCSXFGINUDESG-RLFYNMQTSA-N 0 3 305.418 2.859 20 10 DFCDHN COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000272429648 130029049 /nfs/dbraw/zinc/02/90/49/130029049.db2.gz QEUZUPRSCNJNTF-YOEHRIQHSA-N 0 3 307.390 2.612 20 10 DFCDHN CCC[C@](C)(N)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000272447497 130030897 /nfs/dbraw/zinc/03/08/97/130030897.db2.gz MBBUHOZSBYJMIV-KRWDZBQOSA-N 0 3 309.429 2.806 20 10 DFCDHN C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccccc1[O-] ZINC000272919400 130074739 /nfs/dbraw/zinc/07/47/39/130074739.db2.gz XVYYXNIILHDMRL-HNNXBMFYSA-N 0 3 304.434 2.688 20 10 DFCDHN C[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000273382809 130114239 /nfs/dbraw/zinc/11/42/39/130114239.db2.gz IRPFPVYJDAWWFE-LBPRGKRZSA-N 0 3 323.389 2.656 20 10 DFCDHN C[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CN1CCCC1 ZINC000273420174 130119676 /nfs/dbraw/zinc/11/96/76/130119676.db2.gz RYYWDOBGRACTEM-OLZOCXBDSA-N 0 3 307.394 2.683 20 10 DFCDHN C[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCCC1 ZINC000273420174 130119677 /nfs/dbraw/zinc/11/96/77/130119677.db2.gz RYYWDOBGRACTEM-OLZOCXBDSA-N 0 3 307.394 2.683 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000273488081 130128258 /nfs/dbraw/zinc/12/82/58/130128258.db2.gz NQELBDPENBEJNJ-YJLNNSPDSA-N 0 3 318.461 2.729 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)c([O-])c1C ZINC000273547776 130135219 /nfs/dbraw/zinc/13/52/19/130135219.db2.gz ZQGGBXNXYAOXGY-CQSZACIVSA-N 0 3 304.434 2.966 20 10 DFCDHN CCOCc1cc(CN[C@@H]2C[C@@H](OCC)[C@@H]2OC)ccc1OC ZINC000274897471 130272020 /nfs/dbraw/zinc/27/20/20/130272020.db2.gz GBHGSDFHMIKJRI-KBAYOESNSA-N 0 3 323.433 2.514 20 10 DFCDHN [O-]c1ccccc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275158919 130295902 /nfs/dbraw/zinc/29/59/02/130295902.db2.gz XEBDCNMEGOQAQC-UHFFFAOYSA-N 0 3 319.792 2.879 20 10 DFCDHN CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-])C1CC1 ZINC000275580033 130341514 /nfs/dbraw/zinc/34/15/14/130341514.db2.gz HHCRMMXCQVTBPO-INIZCTEOSA-N 0 3 306.381 2.507 20 10 DFCDHN CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-])C1CC1 ZINC000275580033 130341516 /nfs/dbraw/zinc/34/15/16/130341516.db2.gz HHCRMMXCQVTBPO-INIZCTEOSA-N 0 3 306.381 2.507 20 10 DFCDHN C[C@H](N[C@H](c1nccn1C)C1CCOCC1)c1ccccc1O ZINC000284759800 131109021 /nfs/dbraw/zinc/10/90/21/131109021.db2.gz GQQYNDRWJUJFIR-GUYCJALGSA-N 0 3 315.417 2.944 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]CCC2(O)CCC2)c1[O-] ZINC000284930176 131123574 /nfs/dbraw/zinc/12/35/74/131123574.db2.gz GVZBDRQLOKVNNJ-UHFFFAOYSA-N 0 3 314.223 2.858 20 10 DFCDHN CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285510030 131175582 /nfs/dbraw/zinc/17/55/82/131175582.db2.gz AOQTUEGRVSBBQK-KRWDZBQOSA-N 0 3 323.456 2.600 20 10 DFCDHN CC[C@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000286260966 131227006 /nfs/dbraw/zinc/22/70/06/131227006.db2.gz VCVXAVNQBYGVMI-YOEHRIQHSA-N 0 3 323.456 2.598 20 10 DFCDHN CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1[O-] ZINC000287695441 131295876 /nfs/dbraw/zinc/29/58/76/131295876.db2.gz WXQVUOUAZILYQG-MRXNPFEDSA-N 0 3 323.456 2.598 20 10 DFCDHN O=C([C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)N1CCCC1 ZINC000288562585 131331194 /nfs/dbraw/zinc/33/11/94/131331194.db2.gz JROKTBDJLWXIGX-INIZCTEOSA-N 0 3 324.424 2.990 20 10 DFCDHN O=C([C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1)N1CCCC1 ZINC000288562585 131331195 /nfs/dbraw/zinc/33/11/95/131331195.db2.gz JROKTBDJLWXIGX-INIZCTEOSA-N 0 3 324.424 2.990 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1OC ZINC000289195799 131364742 /nfs/dbraw/zinc/36/47/42/131364742.db2.gz BCIVNODGXJXWHP-HIFRSBDPSA-N 0 3 323.433 2.925 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1OC ZINC000289195799 131364743 /nfs/dbraw/zinc/36/47/43/131364743.db2.gz BCIVNODGXJXWHP-HIFRSBDPSA-N 0 3 323.433 2.925 20 10 DFCDHN CCOc1cccc(CN(CCN(C)C)Cc2ccco2)c1O ZINC000289496991 131390798 /nfs/dbraw/zinc/39/07/98/131390798.db2.gz SLSOIRJFDNSVPQ-UHFFFAOYSA-N 0 3 318.417 2.948 20 10 DFCDHN COc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000289571642 131397239 /nfs/dbraw/zinc/39/72/39/131397239.db2.gz SNBQXVQNGJVKKV-UHFFFAOYSA-N 0 3 316.357 2.984 20 10 DFCDHN COc1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000289571642 131397241 /nfs/dbraw/zinc/39/72/41/131397241.db2.gz SNBQXVQNGJVKKV-UHFFFAOYSA-N 0 3 316.357 2.984 20 10 DFCDHN CNC(=O)CC[C@@H]1CCCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000289578046 131397285 /nfs/dbraw/zinc/39/72/85/131397285.db2.gz JVZVLFLWAFTILC-HNNXBMFYSA-N 0 3 321.440 2.772 20 10 DFCDHN C[C@H](C1CC1)N(CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000297852383 132037309 /nfs/dbraw/zinc/03/73/09/132037309.db2.gz LIGJNHGJMQQDFM-CQSZACIVSA-N 0 3 315.461 2.632 20 10 DFCDHN CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(C)C ZINC000298180675 132049812 /nfs/dbraw/zinc/04/98/12/132049812.db2.gz GMWDJQAEVVIUPF-QGZVFWFLSA-N 0 3 303.450 2.584 20 10 DFCDHN O=C(NCc1ccccc1O)C1CCN(Cc2ccccc2)CC1 ZINC000299592714 132112942 /nfs/dbraw/zinc/11/29/42/132112942.db2.gz UANWCOSVWHPYLQ-UHFFFAOYSA-N 0 3 324.424 2.921 20 10 DFCDHN COCCOC1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293061145 543019755 /nfs/dbraw/zinc/01/97/55/543019755.db2.gz LDEUPJUEEJXYKP-UHFFFAOYSA-N 0 3 306.450 2.688 20 10 DFCDHN C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)cc1[O-] ZINC000185491800 287013795 /nfs/dbraw/zinc/01/37/95/287013795.db2.gz PBYRBWQTALYXAJ-ZIAGYGMSSA-N 0 3 322.424 2.683 20 10 DFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCCO1 ZINC000071004439 425981114 /nfs/dbraw/zinc/98/11/14/425981114.db2.gz WGQGJYCWHIAHSM-GOSISDBHSA-N 0 3 304.434 2.524 20 10 DFCDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCCCO1 ZINC000070976671 425978938 /nfs/dbraw/zinc/97/89/38/425978938.db2.gz WBXBFOHMJHBCLA-SJORKVTESA-N 0 3 305.418 2.942 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCCCO1 ZINC000070976671 425978941 /nfs/dbraw/zinc/97/89/41/425978941.db2.gz WBXBFOHMJHBCLA-SJORKVTESA-N 0 3 305.418 2.942 20 10 DFCDHN [O-]c1ccccc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000111403536 426049409 /nfs/dbraw/zinc/04/94/09/426049409.db2.gz OPTAUKNZYMFZCP-UHFFFAOYSA-N 0 3 304.434 2.517 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000114508114 426138655 /nfs/dbraw/zinc/13/86/55/426138655.db2.gz DZHVNMVEMMJVBW-GOSISDBHSA-N 0 3 301.386 2.788 20 10 DFCDHN COCCN(Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000119470833 426290797 /nfs/dbraw/zinc/29/07/97/426290797.db2.gz ZNLWYSPGCJOAIT-UHFFFAOYSA-N 0 3 315.369 2.770 20 10 DFCDHN CC(C)CN(CC(N)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000092011082 426346756 /nfs/dbraw/zinc/34/67/56/426346756.db2.gz HLBAEXQRZVLJKS-UHFFFAOYSA-N 0 3 303.450 2.620 20 10 DFCDHN CN(C)c1ccc(CN2CCC(OC3CCOCC3)CC2)cc1 ZINC000093139916 426353571 /nfs/dbraw/zinc/35/35/71/426353571.db2.gz ROUKXVGUUMRFHK-UHFFFAOYSA-N 0 3 318.461 2.913 20 10 DFCDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(C)c(C)cc1[O-])CC2 ZINC000093613592 426357585 /nfs/dbraw/zinc/35/75/85/426357585.db2.gz IHCXDCVTWDUKNK-MSOLQXFVSA-N 0 3 319.445 2.761 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@@H](CC(N)=O)C2)cc1F ZINC000093808737 426358686 /nfs/dbraw/zinc/35/86/86/426358686.db2.gz IMVPGMYUFGVSJL-AWEZNQCLSA-N 0 3 321.440 2.759 20 10 DFCDHN CC(C)OC[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000154187422 426429094 /nfs/dbraw/zinc/42/90/94/426429094.db2.gz YXCOCWCJRYEQKD-IBGZPJMESA-N 0 3 320.477 2.895 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1C ZINC000154915060 426458296 /nfs/dbraw/zinc/45/82/96/426458296.db2.gz QMSHGTFXZDZWKW-HNNXBMFYSA-N 0 3 300.406 2.513 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)cc1C ZINC000154915060 426458298 /nfs/dbraw/zinc/45/82/98/426458298.db2.gz QMSHGTFXZDZWKW-HNNXBMFYSA-N 0 3 300.406 2.513 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccccc1[O-] ZINC000154980623 426460614 /nfs/dbraw/zinc/46/06/14/426460614.db2.gz PLMMFPDKDPANBV-SJORKVTESA-N 0 3 306.450 2.790 20 10 DFCDHN CC[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc(C)cc1[O-] ZINC000280146917 426506424 /nfs/dbraw/zinc/50/64/24/426506424.db2.gz PYDWLSACSHCOPN-GOEBONIOSA-N 0 3 321.417 2.663 20 10 DFCDHN CCNC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(C)cc2[O-])C1 ZINC000280214427 426522052 /nfs/dbraw/zinc/52/20/52/426522052.db2.gz UIBOCIZCTWEHON-ZFWWWQNUSA-N 0 3 305.422 2.545 20 10 DFCDHN C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000177876194 426533184 /nfs/dbraw/zinc/53/31/84/426533184.db2.gz WEGBWPIMMCWHHM-MAUKXSAKSA-N 0 3 315.461 2.996 20 10 DFCDHN Cc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000264617730 426576137 /nfs/dbraw/zinc/57/61/37/426576137.db2.gz PUZAHQIJHNNADH-MRXNPFEDSA-N 0 3 301.386 2.572 20 10 DFCDHN Cc1ccccc1OC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000264617730 426576140 /nfs/dbraw/zinc/57/61/40/426576140.db2.gz PUZAHQIJHNNADH-MRXNPFEDSA-N 0 3 301.386 2.572 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1OC ZINC000280377420 426561848 /nfs/dbraw/zinc/56/18/48/426561848.db2.gz FAZQSHKEZKXQSB-JSGCOSHPSA-N 0 3 309.406 2.535 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1OC ZINC000280377420 426561850 /nfs/dbraw/zinc/56/18/50/426561850.db2.gz FAZQSHKEZKXQSB-JSGCOSHPSA-N 0 3 309.406 2.535 20 10 DFCDHN O=C(NCc1c(O)ccc2c1CCCC2)C12CCCN1CCC2 ZINC000280789118 426656766 /nfs/dbraw/zinc/65/67/66/426656766.db2.gz OEQSAPFTOXDAOA-UHFFFAOYSA-N 0 3 314.429 2.516 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289641164 426670292 /nfs/dbraw/zinc/67/02/92/426670292.db2.gz MKALRMSAFMPJKA-CZUORRHYSA-N 0 3 324.852 2.649 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000289641164 426670296 /nfs/dbraw/zinc/67/02/96/426670296.db2.gz MKALRMSAFMPJKA-CZUORRHYSA-N 0 3 324.852 2.649 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000289904468 426677613 /nfs/dbraw/zinc/67/76/13/426677613.db2.gz WXYMVSAXSYDMBP-CQSZACIVSA-N 0 3 303.324 2.980 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000289904468 426677617 /nfs/dbraw/zinc/67/76/17/426677617.db2.gz WXYMVSAXSYDMBP-CQSZACIVSA-N 0 3 303.324 2.980 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1[O-] ZINC000273699572 426709643 /nfs/dbraw/zinc/70/96/43/426709643.db2.gz CZKHZHSHBMJERQ-RISCZKNCSA-N 0 3 310.825 2.580 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1[O-] ZINC000273699572 426709646 /nfs/dbraw/zinc/70/96/46/426709646.db2.gz CZKHZHSHBMJERQ-RISCZKNCSA-N 0 3 310.825 2.580 20 10 DFCDHN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(C)cc1[O-] ZINC000281314287 426710977 /nfs/dbraw/zinc/71/09/77/426710977.db2.gz ZKKAIGUNXPYEAZ-AWEZNQCLSA-N 0 3 311.447 2.709 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2cccnc2OC)c1 ZINC000290189092 426712063 /nfs/dbraw/zinc/71/20/63/426712063.db2.gz ODWJHSKFTIBABV-LBPRGKRZSA-N 0 3 302.374 2.698 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000237360744 426692286 /nfs/dbraw/zinc/69/22/86/426692286.db2.gz WXDDPKOSWFPINA-MRXNPFEDSA-N 0 3 316.401 2.921 20 10 DFCDHN COc1cc(CNCc2ccc(N(C)C)cc2)cc(OC)c1O ZINC000237319495 426692480 /nfs/dbraw/zinc/69/24/80/426692480.db2.gz VTSCWUFYOZAPER-UHFFFAOYSA-N 0 3 316.401 2.765 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H](CO)CC(C)C)c1[O-] ZINC000290486919 426775278 /nfs/dbraw/zinc/77/52/78/426775278.db2.gz OKDJKHWMAMWHLX-CYBMUJFWSA-N 0 3 301.814 2.893 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)CC(C)C)c1[O-] ZINC000290486919 426775284 /nfs/dbraw/zinc/77/52/84/426775284.db2.gz OKDJKHWMAMWHLX-CYBMUJFWSA-N 0 3 301.814 2.893 20 10 DFCDHN CC[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000290259905 426726296 /nfs/dbraw/zinc/72/62/96/426726296.db2.gz VBGPVYMIHGDKGD-HIFRSBDPSA-N 0 3 310.413 2.738 20 10 DFCDHN CC[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)OC ZINC000290259907 426726384 /nfs/dbraw/zinc/72/63/84/426726384.db2.gz VBGPVYMIHGDKGD-ZFWWWQNUSA-N 0 3 310.413 2.738 20 10 DFCDHN C[C@H](N[C@@H](C)c1ccc(N2CCCCC2)cc1)C(=O)N(C)C ZINC000189003387 426808574 /nfs/dbraw/zinc/80/85/74/426808574.db2.gz VXWQMUCUCDMSRR-GJZGRUSLSA-N 0 3 303.450 2.804 20 10 DFCDHN COC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179645352 426810239 /nfs/dbraw/zinc/81/02/39/426810239.db2.gz OMVWYUSGWUTAGD-YJBOKZPZSA-N 0 3 315.413 2.963 20 10 DFCDHN COC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000179645352 426810245 /nfs/dbraw/zinc/81/02/45/426810245.db2.gz OMVWYUSGWUTAGD-YJBOKZPZSA-N 0 3 315.413 2.963 20 10 DFCDHN COc1ccc(O)c(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000290832885 426849450 /nfs/dbraw/zinc/84/94/50/426849450.db2.gz HSARZAOQAQPSDD-IAGOWNOFSA-N 0 3 303.402 2.934 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000246809736 426868657 /nfs/dbraw/zinc/86/86/57/426868657.db2.gz RAKZWRMIHATPCG-DZGCQCFKSA-N 0 3 301.390 2.680 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1[O-] ZINC000246809736 426868663 /nfs/dbraw/zinc/86/86/63/426868663.db2.gz RAKZWRMIHATPCG-DZGCQCFKSA-N 0 3 301.390 2.680 20 10 DFCDHN C[C@H](NC1CC1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000295230252 426871453 /nfs/dbraw/zinc/87/14/53/426871453.db2.gz RVHRUJGUNJWSPV-HNNXBMFYSA-N 0 3 315.461 2.680 20 10 DFCDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@H]1[C@H]1CCCO1 ZINC000291001080 426872603 /nfs/dbraw/zinc/87/26/03/426872603.db2.gz AVKRFDLPXCENDD-CJNGLKHVSA-N 0 3 305.374 2.510 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000283005316 426935994 /nfs/dbraw/zinc/93/59/94/426935994.db2.gz GORMPTXTRAUOND-DAYGRLMNSA-N 0 3 319.445 2.919 20 10 DFCDHN CNC(=O)[C@H](C)NCc1ccc(N(C)Cc2cccs2)cc1 ZINC000295944692 427024309 /nfs/dbraw/zinc/02/43/09/427024309.db2.gz GNNHDUINBYZCKO-ZDUSSCGKSA-N 0 3 317.458 2.609 20 10 DFCDHN [O-]c1cccc(Cl)c1C[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000268970304 427143498 /nfs/dbraw/zinc/14/34/98/427143498.db2.gz MSUDOJCOYRNJLM-NVXWUHKLSA-N 0 3 324.852 2.513 20 10 DFCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000268970304 427143503 /nfs/dbraw/zinc/14/35/03/427143503.db2.gz MSUDOJCOYRNJLM-NVXWUHKLSA-N 0 3 324.852 2.513 20 10 DFCDHN COC[C@@H](CCO)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000269015759 427146442 /nfs/dbraw/zinc/14/64/42/427146442.db2.gz ODNUYPBRIWRLOT-DOTOQJQBSA-N 0 3 306.450 2.725 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)c1[O-] ZINC000293093524 427214124 /nfs/dbraw/zinc/21/41/24/427214124.db2.gz XEQAGGPTIYODED-SFHVURJKSA-N 0 3 320.408 2.652 20 10 DFCDHN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)c1[O-] ZINC000293093524 427214129 /nfs/dbraw/zinc/21/41/29/427214129.db2.gz XEQAGGPTIYODED-SFHVURJKSA-N 0 3 320.408 2.652 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000183240118 427228274 /nfs/dbraw/zinc/22/82/74/427228274.db2.gz ZFUZSJZYOGCSCW-OAHLLOKOSA-N 0 3 321.417 2.766 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1 ZINC000183240118 427228282 /nfs/dbraw/zinc/22/82/82/427228282.db2.gz ZFUZSJZYOGCSCW-OAHLLOKOSA-N 0 3 321.417 2.766 20 10 DFCDHN C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1ccccc1[O-] ZINC000183505466 427282398 /nfs/dbraw/zinc/28/23/98/427282398.db2.gz XWSPJOIJJGJACP-WMLDXEAASA-N 0 3 312.413 2.742 20 10 DFCDHN C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccccc1[O-] ZINC000183604172 427301483 /nfs/dbraw/zinc/30/14/83/427301483.db2.gz YEYHDPUOGXNUDA-LBPRGKRZSA-N 0 3 304.415 2.924 20 10 DFCDHN C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1[O-] ZINC000183620916 427304467 /nfs/dbraw/zinc/30/44/67/427304467.db2.gz AIOTVDYEOPKIFP-FNHZYXHNSA-N 0 3 318.461 2.811 20 10 DFCDHN Cc1cc(CN2CCC(NC(=O)C(C)C)CC2)ccc1N(C)C ZINC000293384299 427306401 /nfs/dbraw/zinc/30/64/01/427306401.db2.gz GNSMGNVOLNRYSY-UHFFFAOYSA-N 0 3 317.477 2.798 20 10 DFCDHN CCCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183696189 427323013 /nfs/dbraw/zinc/32/30/13/427323013.db2.gz GCKVMCRXCVUXAL-UHFFFAOYSA-N 0 3 308.422 2.635 20 10 DFCDHN C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000183520584 427288157 /nfs/dbraw/zinc/28/81/57/427288157.db2.gz ACKXBULIIKUDEY-LSDHHAIUSA-N 0 3 304.434 2.544 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000269845230 427289641 /nfs/dbraw/zinc/28/96/41/427289641.db2.gz WMWDTJSLCQOTSE-IBGZPJMESA-N 0 3 313.397 2.715 20 10 DFCDHN C[C@H]1CN(CCC[NH2+]Cc2c([O-])cccc2Cl)CCCO1 ZINC000278017716 427383958 /nfs/dbraw/zinc/38/39/58/427383958.db2.gz WHCCAWRCKYHJOO-ZDUSSCGKSA-N 0 3 312.841 2.636 20 10 DFCDHN C[C@H]1C[N@H+](CCCNCc2c([O-])cccc2Cl)CCCO1 ZINC000278017716 427383965 /nfs/dbraw/zinc/38/39/65/427383965.db2.gz WHCCAWRCKYHJOO-ZDUSSCGKSA-N 0 3 312.841 2.636 20 10 DFCDHN C[C@H]1C[N@@H+](CCCNCc2c([O-])cccc2Cl)CCCO1 ZINC000278017716 427383968 /nfs/dbraw/zinc/38/39/68/427383968.db2.gz WHCCAWRCKYHJOO-ZDUSSCGKSA-N 0 3 312.841 2.636 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC(NC(=O)C(C)C)CC2)c1 ZINC000271052005 427389647 /nfs/dbraw/zinc/38/96/47/427389647.db2.gz AYCUEBPEFCDURK-UHFFFAOYSA-N 0 3 320.433 2.528 20 10 DFCDHN CCOc1cccc(CN(CCO)Cc2ccccc2)c1O ZINC000271001422 427366294 /nfs/dbraw/zinc/36/62/94/427366294.db2.gz LBXFZGLJKPIWTJ-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN CCOc1cccc(CN[C@H](CC)[C@H](O)C(F)(F)F)c1O ZINC000270863276 427367924 /nfs/dbraw/zinc/36/79/24/427367924.db2.gz DQXFROYIRMIRCF-MFKMUULPSA-N 0 3 307.312 2.582 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)c1 ZINC000271180038 427437067 /nfs/dbraw/zinc/43/70/67/427437067.db2.gz KXVLFMGWJFJGBD-OAHLLOKOSA-N 0 3 319.401 2.566 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000278424612 427440512 /nfs/dbraw/zinc/44/05/12/427440512.db2.gz SENXBLARTHWQAA-HIFRSBDPSA-N 0 3 316.367 2.888 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cccc(N2CCOCC2)c1 ZINC000293800622 427441082 /nfs/dbraw/zinc/44/10/82/427441082.db2.gz DEMWURFJALHPIM-UHFFFAOYSA-N 0 3 316.376 2.658 20 10 DFCDHN COC(=O)C[C@@](C)(NCc1cc(C)ccc1O)c1ccncc1 ZINC000191906292 427443737 /nfs/dbraw/zinc/44/37/37/427443737.db2.gz BUDLTNBVPMIVKO-GOSISDBHSA-N 0 3 314.385 2.664 20 10 DFCDHN CCOCc1cc(CN[C@@H](COC)[C@@H]2CCCO2)ccc1OC ZINC000278545153 427443983 /nfs/dbraw/zinc/44/39/83/427443983.db2.gz ANXWAOHOCLGIEO-WMZOPIPTSA-N 0 3 323.433 2.515 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@H](COC)[C@H]2CCCO2)cc1 ZINC000278687806 427445170 /nfs/dbraw/zinc/44/51/70/427445170.db2.gz GTXCHLKUXZZPBO-BMGDILEWSA-N 0 3 306.450 2.987 20 10 DFCDHN C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1cc(F)ccc1[O-] ZINC000185252135 427619738 /nfs/dbraw/zinc/61/97/38/427619738.db2.gz IIDCBELJKNKJDI-CYBMUJFWSA-N 0 3 308.397 2.975 20 10 DFCDHN CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185014479 427578220 /nfs/dbraw/zinc/57/82/20/427578220.db2.gz BPSVCDFFYVYZTJ-HNNXBMFYSA-N 0 3 323.456 2.600 20 10 DFCDHN CC(=O)NCC1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000271701476 427582237 /nfs/dbraw/zinc/58/22/37/427582237.db2.gz CXQDMJJINVWPKO-UHFFFAOYSA-N 0 3 310.825 2.702 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]CCc2cnn(C)c2)c1[O-] ZINC000271777495 427584814 /nfs/dbraw/zinc/58/48/14/427584814.db2.gz BAKVHWQNNBQHCC-UHFFFAOYSA-N 0 3 324.222 2.529 20 10 DFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185345057 427636557 /nfs/dbraw/zinc/63/65/57/427636557.db2.gz MDCOEBISWXSQQJ-IAGOWNOFSA-N 0 3 319.493 2.625 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc2c(cc1[O-])CCCC2 ZINC000185502716 427663988 /nfs/dbraw/zinc/66/39/88/427663988.db2.gz FVTWFQNSOJRBHE-IUODEOHRSA-N 0 3 302.418 2.542 20 10 DFCDHN CCN(CC)c1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1 ZINC000279771360 427717658 /nfs/dbraw/zinc/71/76/58/427717658.db2.gz KHNYTPJOVPBEQL-UHFFFAOYSA-N 0 3 324.490 2.590 20 10 DFCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000186021455 427740916 /nfs/dbraw/zinc/74/09/16/427740916.db2.gz MRNNFOXSILWJPF-ZYHUDNBSSA-N 0 3 316.323 2.514 20 10 DFCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1c1ccccc1 ZINC000369700279 428038557 /nfs/dbraw/zinc/03/85/57/428038557.db2.gz AOPPMFKYHIBRLF-DLBZAZTESA-N 0 3 311.381 2.781 20 10 DFCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1c1ccccc1 ZINC000369700279 428038559 /nfs/dbraw/zinc/03/85/59/428038559.db2.gz AOPPMFKYHIBRLF-DLBZAZTESA-N 0 3 311.381 2.781 20 10 DFCDHN COc1ccc(O)c([C@H](C)N[C@]2(CO)CCc3ccccc32)c1 ZINC000359961876 428094209 /nfs/dbraw/zinc/09/42/09/428094209.db2.gz UDQOUQMYHZJYOZ-DJJJIMSYSA-N 0 3 313.397 2.885 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000360443711 428300360 /nfs/dbraw/zinc/30/03/60/428300360.db2.gz DBBJMSXZYAQWDH-LJQANCHMSA-N 0 3 314.404 2.985 20 10 DFCDHN Cc1nc(C)n([C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC000371381033 428385699 /nfs/dbraw/zinc/38/56/99/428385699.db2.gz UJSPAVUYMVSGIY-GOSISDBHSA-N 0 3 313.449 2.798 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c([O-])c1 ZINC000372993196 428511039 /nfs/dbraw/zinc/51/10/39/428511039.db2.gz OMLPVZSEOJVQPV-AWEZNQCLSA-N 0 3 312.417 2.810 20 10 DFCDHN C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cc(Cl)ccc1[O-] ZINC000373252470 428529310 /nfs/dbraw/zinc/52/93/10/428529310.db2.gz NMXXPNFDLGWOMH-UBHSHLNASA-N 0 3 310.825 2.559 20 10 DFCDHN CN(C)c1ccc(CN2CC(C)(C)O[C@@]3(CCCOC3)C2)cc1 ZINC000373605131 428617225 /nfs/dbraw/zinc/61/72/25/428617225.db2.gz VQZQDDYYFYOTPH-IBGZPJMESA-N 0 3 318.461 2.913 20 10 DFCDHN CCOc1cccc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000373638019 428623695 /nfs/dbraw/zinc/62/36/95/428623695.db2.gz LUMSXLRAUXZKGJ-RDTXWAMCSA-N 0 3 321.417 2.561 20 10 DFCDHN O=C([C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)N1CCCCC1 ZINC000374260729 428670426 /nfs/dbraw/zinc/67/04/26/428670426.db2.gz YHIABIDQIRTZDQ-MRXNPFEDSA-N 0 3 302.418 2.617 20 10 DFCDHN O=C([C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)N1CCCCC1 ZINC000374260729 428670430 /nfs/dbraw/zinc/67/04/30/428670430.db2.gz YHIABIDQIRTZDQ-MRXNPFEDSA-N 0 3 302.418 2.617 20 10 DFCDHN CN(C(=O)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2)C1CC1 ZINC000374789429 428753734 /nfs/dbraw/zinc/75/37/34/428753734.db2.gz VREBVYICMHXQGO-MRXNPFEDSA-N 0 3 314.429 2.615 20 10 DFCDHN C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1cc(F)ccc1[O-] ZINC000363855232 428999284 /nfs/dbraw/zinc/99/92/84/428999284.db2.gz NDFWXRLUDUVYNI-GFCCVEGCSA-N 0 3 312.348 2.963 20 10 DFCDHN Cc1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000363854602 429000876 /nfs/dbraw/zinc/00/08/76/429000876.db2.gz MIGAJUTWIHJJEK-OCCSQVGLSA-N 0 3 300.406 2.575 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1ccccc1[O-] ZINC000376521501 429128107 /nfs/dbraw/zinc/12/81/07/429128107.db2.gz RXNILGKBMWNDCU-HZPDHXFCSA-N 0 3 315.417 2.699 20 10 DFCDHN COC(=O)[C@]12CCC[C@@H]1C[N@@H+]([C@@H](C)c1cc(OC)ccc1[O-])C2 ZINC000364630380 429238274 /nfs/dbraw/zinc/23/82/74/429238274.db2.gz HCLGRXWFIGSECV-JCGVRSQUSA-N 0 3 319.401 2.737 20 10 DFCDHN COC(=O)[C@]12CCC[C@@H]1C[N@H+]([C@@H](C)c1cc(OC)ccc1[O-])C2 ZINC000364630380 429238276 /nfs/dbraw/zinc/23/82/76/429238276.db2.gz HCLGRXWFIGSECV-JCGVRSQUSA-N 0 3 319.401 2.737 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000367308718 429617949 /nfs/dbraw/zinc/61/79/49/429617949.db2.gz QSJIKNSYCSVCEJ-HZPDHXFCSA-N 0 3 314.433 2.945 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000367308718 429617952 /nfs/dbraw/zinc/61/79/52/429617952.db2.gz QSJIKNSYCSVCEJ-HZPDHXFCSA-N 0 3 314.433 2.945 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCN(c2nccnc2C)CC1 ZINC000367322332 429621499 /nfs/dbraw/zinc/62/14/99/429621499.db2.gz PVEJXBUBHALYCA-INIZCTEOSA-N 0 3 312.417 2.764 20 10 DFCDHN C[C@H](N[C@H]1CC(=O)N2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000367180463 429591505 /nfs/dbraw/zinc/59/15/05/429591505.db2.gz UAQPTVAHUGUVDJ-JQFCIGGWSA-N 0 3 301.434 2.557 20 10 DFCDHN CC[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1ccc(C)cc1[O-] ZINC000367258996 429606559 /nfs/dbraw/zinc/60/65/59/429606559.db2.gz GBEKHCYOJKZTBU-HOCLYGCPSA-N 0 3 302.418 2.943 20 10 DFCDHN COc1ccc(N2CCC(N(C)Cc3cncnc3)CC2)cc1 ZINC000367474726 429657432 /nfs/dbraw/zinc/65/74/32/429657432.db2.gz OIDJUBNUFKTAOP-UHFFFAOYSA-N 0 3 312.417 2.586 20 10 DFCDHN CN1C(=O)CC[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1c1cccs1 ZINC000367546155 429669854 /nfs/dbraw/zinc/66/98/54/429669854.db2.gz DBQPSJYXQJBQEX-CXAGYDPISA-N 0 3 316.426 2.905 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1[O-] ZINC000367699280 429704060 /nfs/dbraw/zinc/70/40/60/429704060.db2.gz HLYSVYUPVNCCFA-AWEZNQCLSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1cccc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1[O-] ZINC000367699280 429704064 /nfs/dbraw/zinc/70/40/64/429704064.db2.gz HLYSVYUPVNCCFA-AWEZNQCLSA-N 0 3 301.390 2.514 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000527811372 429804782 /nfs/dbraw/zinc/80/47/82/429804782.db2.gz RKDMJFSTDNNXNF-UHFFFAOYSA-N 0 3 320.433 2.529 20 10 DFCDHN COc1ccc(O)c([C@H](C)N2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000368568449 429868588 /nfs/dbraw/zinc/86/85/88/429868588.db2.gz QQOWNSDTCZUFGV-KBPBESRZSA-N 0 3 321.417 2.732 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3nc(C)cn3C2)c1 ZINC000368314864 429830319 /nfs/dbraw/zinc/83/03/19/429830319.db2.gz GGASTCRUIOKWKH-STQMWFEESA-N 0 3 301.390 2.571 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c([O-])c1C ZINC000368329751 429831869 /nfs/dbraw/zinc/83/18/69/429831869.db2.gz DXHXIKFKIVRACS-GDBMZVCRSA-N 0 3 304.434 2.523 20 10 DFCDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)N1CCCC1 ZINC000528013629 429837469 /nfs/dbraw/zinc/83/74/69/429837469.db2.gz AUNRJHYYLGZLBI-CQSZACIVSA-N 0 3 302.418 2.618 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCN(C2CCOCC2)CC1 ZINC000368820009 429896413 /nfs/dbraw/zinc/89/64/13/429896413.db2.gz ZYGHHOFPICDMHD-QGZVFWFLSA-N 0 3 304.434 2.640 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1[O-] ZINC000369031081 429907905 /nfs/dbraw/zinc/90/79/05/429907905.db2.gz PAVHQVKSZMEABD-UHFFFAOYSA-N 0 3 315.392 2.947 20 10 DFCDHN Cc1cccc(C[N@H+]2CCCN(c3ncccc3F)CC2)c1[O-] ZINC000369031081 429907907 /nfs/dbraw/zinc/90/79/07/429907907.db2.gz PAVHQVKSZMEABD-UHFFFAOYSA-N 0 3 315.392 2.947 20 10 DFCDHN Cc1cccc(CN2CCCN(c3ncccc3F)CC2)c1O ZINC000369031081 429907909 /nfs/dbraw/zinc/90/79/09/429907909.db2.gz PAVHQVKSZMEABD-UHFFFAOYSA-N 0 3 315.392 2.947 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000369291503 429922620 /nfs/dbraw/zinc/92/26/20/429922620.db2.gz AKRRDWDDPIJDNW-KRWDZBQOSA-N 0 3 310.397 2.591 20 10 DFCDHN Cc1ccc(O)c(CN[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000369291503 429922621 /nfs/dbraw/zinc/92/26/21/429922621.db2.gz AKRRDWDDPIJDNW-KRWDZBQOSA-N 0 3 310.397 2.591 20 10 DFCDHN C[C@H](NC1CC1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000294819614 278253217 /nfs/dbraw/zinc/25/32/17/278253217.db2.gz RFUPHFMXSWNURS-HNNXBMFYSA-N 0 3 315.461 2.776 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000273576804 295168338 /nfs/dbraw/zinc/16/83/38/295168338.db2.gz LXPHLEVGXZXEMC-BFHYXJOUSA-N 0 3 320.433 2.698 20 10 DFCDHN Cn1ncc2c1CCC[C@@H]2NCc1ccc2c(c1)CCCN2C ZINC000126680404 331997017 /nfs/dbraw/zinc/99/70/17/331997017.db2.gz RFRDNWCQVIEWFI-KRWDZBQOSA-N 0 3 310.445 2.970 20 10 DFCDHN CN(C)c1ccc(CN[C@@H](c2cccnc2)C(C)(C)CO)cc1 ZINC000293604449 335110024 /nfs/dbraw/zinc/11/00/24/335110024.db2.gz JNEOGYXSJFQZFU-SFHVURJKSA-N 0 3 313.445 2.997 20 10 DFCDHN CCOc1cccc(CN2CCCNC(=O)[C@H]2CC(C)C)c1O ZINC000293514047 335111124 /nfs/dbraw/zinc/11/11/24/335111124.db2.gz AKHPCXJJTQHCBR-OAHLLOKOSA-N 0 3 320.433 2.528 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1OC ZINC000294155116 335118884 /nfs/dbraw/zinc/11/88/84/335118884.db2.gz VQGMBQDBBBLRHC-SFHVURJKSA-N 0 3 323.433 2.640 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@](CO)(C(C)C)C2)cc1OC ZINC000294155116 335118885 /nfs/dbraw/zinc/11/88/85/335118885.db2.gz VQGMBQDBBBLRHC-SFHVURJKSA-N 0 3 323.433 2.640 20 10 DFCDHN O=C1C[C@@H](C[NH2+]Cc2ccccc2[O-])CN1Cc1ccccc1 ZINC000179061735 333146179 /nfs/dbraw/zinc/14/61/79/333146179.db2.gz OXWHZTHMJJSYST-INIZCTEOSA-N 0 3 310.397 2.531 20 10 DFCDHN CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000185190015 333205350 /nfs/dbraw/zinc/20/53/50/333205350.db2.gz UCNZYXMKJHNQKY-UKRRQHHQSA-N 0 3 307.390 2.804 20 10 DFCDHN Cc1cc(O)c(CN2C[C@H](C)OC3(CCOCC3)C2)cc1C ZINC000363945021 333206251 /nfs/dbraw/zinc/20/62/51/333206251.db2.gz IWCYJCJOFVYLFT-HNNXBMFYSA-N 0 3 305.418 2.779 20 10 DFCDHN C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1cc(F)ccc1[O-] ZINC000185492748 333209263 /nfs/dbraw/zinc/20/92/63/333209263.db2.gz DRDAVUUZYKBGBE-UONOGXRCSA-N 0 3 322.424 2.683 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)c([O-])c1 ZINC000295003419 335129892 /nfs/dbraw/zinc/12/98/92/335129892.db2.gz IRDSSHLXOXFHQH-JSGCOSHPSA-N 0 3 303.349 2.675 20 10 DFCDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H](O)C(F)F ZINC000295083827 335132198 /nfs/dbraw/zinc/13/21/98/335132198.db2.gz QSZQQDAXANZDBI-BXKDBHETSA-N 0 3 309.740 2.548 20 10 DFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC=CO1 ZINC000193639055 333305210 /nfs/dbraw/zinc/30/52/10/333305210.db2.gz CECSKOLCMUKJDO-GOSISDBHSA-N 0 3 302.418 2.648 20 10 DFCDHN CN(C)c1ccc(CN(C[C@@H](O)c2cccnc2)C2CC2)cc1 ZINC000295434643 335134935 /nfs/dbraw/zinc/13/49/35/335134935.db2.gz FXWOUUDOFVWOGT-LJQANCHMSA-N 0 3 311.429 2.846 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)CC2 ZINC000296177042 335141845 /nfs/dbraw/zinc/14/18/45/335141845.db2.gz XXFSHTXFODMZMX-HOCLYGCPSA-N 0 3 317.360 2.548 20 10 DFCDHN CCCCOC[C@H](O)CNCc1c(C)c2ccccc2n1C ZINC000571515918 333813201 /nfs/dbraw/zinc/81/32/01/333813201.db2.gz FOASGOWQICOKAH-OAHLLOKOSA-N 0 3 304.434 2.754 20 10 DFCDHN C[C@H](NCC1=CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC000267114125 333979502 /nfs/dbraw/zinc/97/95/02/333979502.db2.gz OAWQZEGGEGISOD-HNNXBMFYSA-N 0 3 302.418 2.521 20 10 DFCDHN Cc1noc([C@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000271091517 334018384 /nfs/dbraw/zinc/01/83/84/334018384.db2.gz IDVMVXOZBNYZBV-AWEZNQCLSA-N 0 3 318.396 2.963 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@]2(C)CCOC2)c1[O-] ZINC000271823018 334027603 /nfs/dbraw/zinc/02/76/03/334027603.db2.gz NFUDDKVTFIPEGF-CYBMUJFWSA-N 0 3 300.196 2.732 20 10 DFCDHN C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000273463341 334047262 /nfs/dbraw/zinc/04/72/62/334047262.db2.gz INLLQLHYZPNNTC-ABAIWWIYSA-N 0 3 307.340 2.925 20 10 DFCDHN CC[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(C)cc1[O-] ZINC000280193666 334114873 /nfs/dbraw/zinc/11/48/73/334114873.db2.gz SJUNNHAUBMDKNQ-NVXWUHKLSA-N 0 3 306.450 2.588 20 10 DFCDHN Cc1cccc(C[NH+]2CCC(CCN3CCOCC3)CC2)c1[O-] ZINC000374992276 337001042 /nfs/dbraw/zinc/00/10/42/337001042.db2.gz WTRDYBGYDYXZHC-UHFFFAOYSA-N 0 3 318.461 2.635 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375400015 337010202 /nfs/dbraw/zinc/01/02/02/337010202.db2.gz DJQTVKVZFNXWSN-GFCCVEGCSA-N 0 3 315.373 2.651 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375400015 337010203 /nfs/dbraw/zinc/01/02/03/337010203.db2.gz DJQTVKVZFNXWSN-GFCCVEGCSA-N 0 3 315.373 2.651 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1C ZINC000375420320 337010930 /nfs/dbraw/zinc/01/09/30/337010930.db2.gz SRPUBCJISWWCID-LMMKCTJWSA-N 0 3 319.445 2.761 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1C ZINC000375420320 337010931 /nfs/dbraw/zinc/01/09/31/337010931.db2.gz SRPUBCJISWWCID-LMMKCTJWSA-N 0 3 319.445 2.761 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc(C)cc1[O-] ZINC000375651561 337015552 /nfs/dbraw/zinc/01/55/52/337015552.db2.gz YUCBKHKKOHMEJJ-RHSMWYFYSA-N 0 3 314.433 2.754 20 10 DFCDHN Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000377680399 337058145 /nfs/dbraw/zinc/05/81/45/337058145.db2.gz PVYZNPWIJCUFJF-HNNXBMFYSA-N 0 3 320.364 2.927 20 10 DFCDHN Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000377680399 337058146 /nfs/dbraw/zinc/05/81/46/337058146.db2.gz PVYZNPWIJCUFJF-HNNXBMFYSA-N 0 3 320.364 2.927 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000377704622 337059179 /nfs/dbraw/zinc/05/91/79/337059179.db2.gz RSMBWYPLLYZATI-HZPDHXFCSA-N 0 3 314.433 2.566 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000377704622 337059180 /nfs/dbraw/zinc/05/91/80/337059180.db2.gz RSMBWYPLLYZATI-HZPDHXFCSA-N 0 3 314.433 2.566 20 10 DFCDHN CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2[O-])C[C@H]1N1CCOCC1 ZINC000378340889 337070296 /nfs/dbraw/zinc/07/02/96/337070296.db2.gz IXQPJAHJJQVUGG-FUHWJXTLSA-N 0 3 318.461 2.552 20 10 DFCDHN CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2[O-])C[C@H]1N1CCOCC1 ZINC000378340889 337070297 /nfs/dbraw/zinc/07/02/97/337070297.db2.gz IXQPJAHJJQVUGG-FUHWJXTLSA-N 0 3 318.461 2.552 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(n3ccc(C)n3)CC2)c1 ZINC000378351916 337070796 /nfs/dbraw/zinc/07/07/96/337070796.db2.gz UTAKLIONHIEICD-UHFFFAOYSA-N 0 3 301.390 2.743 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378380718 337071293 /nfs/dbraw/zinc/07/12/93/337071293.db2.gz VTNUMFSSWCMODK-AEFFLSMTSA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378380718 337071294 /nfs/dbraw/zinc/07/12/94/337071294.db2.gz VTNUMFSSWCMODK-AEFFLSMTSA-N 0 3 315.417 2.522 20 10 DFCDHN C[C@@H](NCc1cccnc1-n1cncn1)c1ccc(N(C)C)cc1 ZINC000178050730 337160072 /nfs/dbraw/zinc/16/00/72/337160072.db2.gz YYPURVPPPNZMHJ-CQSZACIVSA-N 0 3 322.416 2.579 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180070535 337173577 /nfs/dbraw/zinc/17/35/77/337173577.db2.gz KXSLBQMEURJJFT-HNNXBMFYSA-N 0 3 312.417 2.618 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1[O-] ZINC000180070535 337173578 /nfs/dbraw/zinc/17/35/78/337173578.db2.gz KXSLBQMEURJJFT-HNNXBMFYSA-N 0 3 312.417 2.618 20 10 DFCDHN COc1ccc(O)c(CN(C)[C@H]2CCCc3c2cnn3C)c1 ZINC000180640832 337176761 /nfs/dbraw/zinc/17/67/61/337176761.db2.gz TXRDUDDFHYNGMU-HNNXBMFYSA-N 0 3 301.390 2.644 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)c1 ZINC000185025369 337201428 /nfs/dbraw/zinc/20/14/28/337201428.db2.gz SCVSBZRNOLGNPG-ZDUSSCGKSA-N 0 3 309.373 2.527 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCc2cccnc2-n2ccnc2)c1 ZINC000184989416 337202197 /nfs/dbraw/zinc/20/21/97/337202197.db2.gz BXXFWPMXQQWRLU-ZDUSSCGKSA-N 0 3 324.384 2.832 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000184989416 337202198 /nfs/dbraw/zinc/20/21/98/337202198.db2.gz BXXFWPMXQQWRLU-ZDUSSCGKSA-N 0 3 324.384 2.832 20 10 DFCDHN C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(F)ccc1[O-] ZINC000184989823 337202244 /nfs/dbraw/zinc/20/22/44/337202244.db2.gz PVDPBVDKHIYYQQ-LBPRGKRZSA-N 0 3 312.348 2.963 20 10 DFCDHN CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CC2 ZINC000185997536 337252435 /nfs/dbraw/zinc/25/24/35/337252435.db2.gz JWSNGWWPPJDTFU-AAEUAGOBSA-N 0 3 318.396 2.912 20 10 DFCDHN COc1ccc(N2CCCN(C[C@H]3CC[C@H](C)O3)CC2)cc1 ZINC000188571834 337274068 /nfs/dbraw/zinc/27/40/68/337274068.db2.gz XDHQBEGDYJOMIB-MAUKXSAKSA-N 0 3 304.434 2.775 20 10 DFCDHN COc1cccc(CN2CCC(Nc3nccs3)CC2)c1O ZINC000189949904 337284065 /nfs/dbraw/zinc/28/40/65/337284065.db2.gz RUTCRJPPMVKJIH-UHFFFAOYSA-N 0 3 319.430 2.934 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN2c2cccnn2)c1 ZINC000359961891 337440968 /nfs/dbraw/zinc/44/09/68/337440968.db2.gz UESYVALMKVAVMQ-LSDHHAIUSA-N 0 3 312.417 2.810 20 10 DFCDHN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180016584 519506844 /nfs/dbraw/zinc/50/68/44/519506844.db2.gz VRWLDOIIASQREJ-CYBMUJFWSA-N 0 3 308.397 2.516 20 10 DFCDHN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180016584 519506850 /nfs/dbraw/zinc/50/68/50/519506850.db2.gz VRWLDOIIASQREJ-CYBMUJFWSA-N 0 3 308.397 2.516 20 10 DFCDHN [O-]c1cc2c(cc1CN1CCC([NH+]3CCCCC3)CC1)OCO2 ZINC000299643239 534450170 /nfs/dbraw/zinc/45/01/70/534450170.db2.gz IIYOQTWGWUSCSP-UHFFFAOYSA-N 0 3 318.417 2.571 20 10 DFCDHN CCOC(=O)C1CCN(Cc2cc(OCC)ccc2O)CC1 ZINC000158106192 520577252 /nfs/dbraw/zinc/57/72/52/520577252.db2.gz SKGZQNNUNXUKJY-UHFFFAOYSA-N 0 3 307.390 2.566 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000237045895 521150305 /nfs/dbraw/zinc/15/03/05/521150305.db2.gz VNQOORDEMATBML-QGZVFWFLSA-N 0 3 305.349 2.753 20 10 DFCDHN CCOc1cccc(CN2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000131872706 521337176 /nfs/dbraw/zinc/33/71/76/521337176.db2.gz ITMXTBUEIJQFSQ-OAHLLOKOSA-N 0 3 301.390 2.862 20 10 DFCDHN COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(OC)c1[O-] ZINC000266972340 522692216 /nfs/dbraw/zinc/69/22/16/522692216.db2.gz OTTCQJIDSVORPD-INIZCTEOSA-N 0 3 301.386 2.748 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(C)cc1[O-] ZINC000366419195 522708743 /nfs/dbraw/zinc/70/87/43/522708743.db2.gz RJGSFJBQJZLYAK-LUYZLQTOSA-N 0 3 302.418 2.751 20 10 DFCDHN CCn1cc(C2CC[NH+](Cc3cc(OC)ccc3[O-])CC2)cn1 ZINC000179979606 523358204 /nfs/dbraw/zinc/35/82/04/523358204.db2.gz MSBVKCRHGYUYQI-UHFFFAOYSA-N 0 3 315.417 2.997 20 10 DFCDHN CN1CCc2cc(CN[C@H]3C[C@@H](CO)c4ccccc43)ccc21 ZINC000364987360 523997596 /nfs/dbraw/zinc/99/75/96/523997596.db2.gz FMWIPNTTZDNMGO-LPHOPBHVSA-N 0 3 308.425 2.989 20 10 DFCDHN C[C@H](C[N@H+](C)Cc1cc2c(cc1[O-])OCO2)c1nccs1 ZINC000182838989 524297006 /nfs/dbraw/zinc/29/70/06/524297006.db2.gz CAMMUELPYVHDOH-SNVBAGLBSA-N 0 3 306.387 2.813 20 10 DFCDHN C[C@H](C[N@@H+](C)Cc1cc2c(cc1[O-])OCO2)c1nccs1 ZINC000182838989 524297011 /nfs/dbraw/zinc/29/70/11/524297011.db2.gz CAMMUELPYVHDOH-SNVBAGLBSA-N 0 3 306.387 2.813 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000182635797 524755285 /nfs/dbraw/zinc/75/52/85/524755285.db2.gz WAYNSAWMAOASHR-BBRMVZONSA-N 0 3 309.431 2.545 20 10 DFCDHN C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1[O-] ZINC000179902150 525380784 /nfs/dbraw/zinc/38/07/84/525380784.db2.gz IISWXKXFDWGCBA-GXTWGEPZSA-N 0 3 305.349 2.622 20 10 DFCDHN COc1cccc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000179963096 525950956 /nfs/dbraw/zinc/95/09/56/525950956.db2.gz ALWRNFJZCMPIFV-ZDUSSCGKSA-N 0 3 307.390 2.564 20 10 DFCDHN O=C(C1CC1)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000129935659 526284468 /nfs/dbraw/zinc/28/44/68/526284468.db2.gz VSQGCEBMMUHTID-UHFFFAOYSA-N 0 3 324.424 2.990 20 10 DFCDHN O=C(C1CC1)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000129935659 526284474 /nfs/dbraw/zinc/28/44/74/526284474.db2.gz VSQGCEBMMUHTID-UHFFFAOYSA-N 0 3 324.424 2.990 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1)OCO2 ZINC000237958030 526335855 /nfs/dbraw/zinc/33/58/55/526335855.db2.gz ASGWGOHNGBDFEP-CQSZACIVSA-N 0 3 321.760 2.598 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+]CC1(c3ccccn3)CCC1)OCO2 ZINC000367595253 526336622 /nfs/dbraw/zinc/33/66/22/526336622.db2.gz ATQHALVRYNTVTH-UHFFFAOYSA-N 0 3 312.369 2.727 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000180921985 526349018 /nfs/dbraw/zinc/34/90/18/526349018.db2.gz DBUNRHGDLGYACZ-UHFFFAOYSA-N 0 3 322.424 2.656 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CCCn1ccnc1)C[C@H]1CCCO1 ZINC000182897949 526371923 /nfs/dbraw/zinc/37/19/23/526371923.db2.gz DKGWOIAMWMHCCH-QGZVFWFLSA-N 0 3 315.417 2.660 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CCCn1ccnc1)C[C@H]1CCCO1 ZINC000182897949 526371927 /nfs/dbraw/zinc/37/19/27/526371927.db2.gz DKGWOIAMWMHCCH-QGZVFWFLSA-N 0 3 315.417 2.660 20 10 DFCDHN O=C1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CN1C1CC1 ZINC000267032364 527019648 /nfs/dbraw/zinc/01/96/48/527019648.db2.gz BERMRSJCOGLEIG-QGZVFWFLSA-N 0 3 322.408 2.912 20 10 DFCDHN O=C1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CN1C1CC1 ZINC000267032360 527028381 /nfs/dbraw/zinc/02/83/81/527028381.db2.gz BERMRSJCOGLEIG-KRWDZBQOSA-N 0 3 322.408 2.912 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000284222450 535765551 /nfs/dbraw/zinc/76/55/51/535765551.db2.gz CWDITKUWEVEAJF-QILLFSRXSA-N 0 3 322.493 2.951 20 10 DFCDHN CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000274596573 535782316 /nfs/dbraw/zinc/78/23/16/535782316.db2.gz GMAFRJDUEMBCBC-KBPBESRZSA-N 0 3 306.406 2.890 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1OC ZINC000273208430 536856854 /nfs/dbraw/zinc/85/68/54/536856854.db2.gz SLWIGGRYBSNDOB-CHWSQXEVSA-N 0 3 309.406 2.704 20 10 DFCDHN Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC000737271373 599102130 /nfs/dbraw/zinc/10/21/30/599102130.db2.gz UIRTWVSHAIDUIM-UHFFFAOYSA-N 0 3 322.416 2.531 20 10 DFCDHN Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000737271373 599102132 /nfs/dbraw/zinc/10/21/32/599102132.db2.gz UIRTWVSHAIDUIM-UHFFFAOYSA-N 0 3 322.416 2.531 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CCCCCCO)C[C@@H]1CCCO1 ZINC000079321400 185165069 /nfs/dbraw/zinc/16/50/69/185165069.db2.gz RORILQDPBDFDPZ-KRWDZBQOSA-N 0 3 307.434 2.926 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CCCCCCO)C[C@@H]1CCCO1 ZINC000079321400 185165070 /nfs/dbraw/zinc/16/50/70/185165070.db2.gz RORILQDPBDFDPZ-KRWDZBQOSA-N 0 3 307.434 2.926 20 10 DFCDHN COc1ccc(CNCc2ccccc2Cn2cncn2)cc1C ZINC000030900929 398507727 /nfs/dbraw/zinc/50/77/27/398507727.db2.gz OTZBFXLXIKOKKG-UHFFFAOYSA-N 0 3 322.412 2.933 20 10 DFCDHN COc1cccc(CN2CCC[C@@H]2c2cnn(C)c2C)c1O ZINC000091967587 398550908 /nfs/dbraw/zinc/55/09/08/398550908.db2.gz PTXUZSMTTIHHGO-OAHLLOKOSA-N 0 3 301.390 2.780 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000093870512 398648507 /nfs/dbraw/zinc/64/85/07/398648507.db2.gz NPAKEMJWEKIOMV-CQSZACIVSA-N 0 3 315.417 2.589 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000093870512 398648510 /nfs/dbraw/zinc/64/85/10/398648510.db2.gz NPAKEMJWEKIOMV-CQSZACIVSA-N 0 3 315.417 2.589 20 10 DFCDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2[O-])[C@]12CCCO2 ZINC000273650486 535408503 /nfs/dbraw/zinc/40/85/03/535408503.db2.gz WLPGJQINCAIMGE-KZNAEPCWSA-N 0 3 305.418 2.825 20 10 DFCDHN C[C@H](N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000284402562 299349958 /nfs/dbraw/zinc/34/99/58/299349958.db2.gz PTPVNARGGRMEMY-YSVLISHTSA-N 0 3 308.466 2.561 20 10 DFCDHN Cc1ccc(N(C)C2CC[NH+](Cc3ccccc3[O-])CC2)nn1 ZINC000271469668 129918521 /nfs/dbraw/zinc/91/85/21/129918521.db2.gz YVEPOIIWXFHLON-UHFFFAOYSA-N 0 3 312.417 2.591 20 10 DFCDHN COCC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccco1 ZINC000272537106 130039759 /nfs/dbraw/zinc/03/97/59/130039759.db2.gz KRNLRPRTDAGLIH-GFCCVEGCSA-N 0 3 305.330 2.581 20 10 DFCDHN C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1ccccc1[O-] ZINC000272886818 130071531 /nfs/dbraw/zinc/07/15/31/130071531.db2.gz RWQRDSZYAVCCMA-ZDUSSCGKSA-N 0 3 319.426 2.788 20 10 DFCDHN C[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CN1CCCC1 ZINC000273420172 130118980 /nfs/dbraw/zinc/11/89/80/130118980.db2.gz RYYWDOBGRACTEM-CHWSQXEVSA-N 0 3 307.394 2.683 20 10 DFCDHN C[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+]1CCCC1 ZINC000273420172 130118983 /nfs/dbraw/zinc/11/89/83/130118983.db2.gz RYYWDOBGRACTEM-CHWSQXEVSA-N 0 3 307.394 2.683 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOc2ncccc2F)c1 ZINC000273470887 130125158 /nfs/dbraw/zinc/12/51/58/130125158.db2.gz JTFLVYVIXOKFCV-NSHDSACASA-N 0 3 306.337 2.665 20 10 DFCDHN C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(F)ccc1[O-] ZINC000274450594 130235653 /nfs/dbraw/zinc/23/56/53/130235653.db2.gz YSUVLMOTQTYQLV-JTQLQIEISA-N 0 3 307.394 2.727 20 10 DFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC(C)(C)O1 ZINC000274801984 130263261 /nfs/dbraw/zinc/26/32/61/130263261.db2.gz VKBDEPPRFGFHDS-GOSISDBHSA-N 0 3 318.461 2.913 20 10 DFCDHN CN(C)c1ccc(CN[C@@H](CO)Cc2ccccc2)cc1F ZINC000274801882 130263462 /nfs/dbraw/zinc/26/34/62/130263462.db2.gz OSKGEZVNSPMTOS-MRXNPFEDSA-N 0 3 302.393 2.585 20 10 DFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC(C)(C)O1 ZINC000274801988 130263755 /nfs/dbraw/zinc/26/37/55/130263755.db2.gz VKBDEPPRFGFHDS-SFHVURJKSA-N 0 3 318.461 2.913 20 10 DFCDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c([O-])c1 ZINC000284281278 131066005 /nfs/dbraw/zinc/06/60/05/131066005.db2.gz XJOSBSJOLLNWSW-CVEARBPZSA-N 0 3 306.450 2.506 20 10 DFCDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)c([O-])c1 ZINC000284281282 131066060 /nfs/dbraw/zinc/06/60/60/131066060.db2.gz XJOSBSJOLLNWSW-HOTGVXAUSA-N 0 3 306.450 2.506 20 10 DFCDHN COc1ccc([C@H](CN(C)C)[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000284908369 131121336 /nfs/dbraw/zinc/12/13/36/131121336.db2.gz GDNDGWYNGUKGKK-KRWDZBQOSA-N 0 3 318.392 2.932 20 10 DFCDHN CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1[O-] ZINC000285687752 131193445 /nfs/dbraw/zinc/19/34/45/131193445.db2.gz OIBQXOVDFJNNDC-QGZVFWFLSA-N 0 3 323.456 2.598 20 10 DFCDHN CO[C@H]1C[C@@H](CN2CCCC2)[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000286444944 131236356 /nfs/dbraw/zinc/23/63/56/131236356.db2.gz QMFWTGUCEDIWPT-GJZGRUSLSA-N 0 3 324.852 2.731 20 10 DFCDHN CO[C@H]1C[C@@H](CN2CCCC2)[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000286444944 131236357 /nfs/dbraw/zinc/23/63/57/131236357.db2.gz QMFWTGUCEDIWPT-GJZGRUSLSA-N 0 3 324.852 2.731 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000287251424 131271053 /nfs/dbraw/zinc/27/10/53/131271053.db2.gz ZLAZETMNPOJKFX-ZFWWWQNUSA-N 0 3 311.447 2.566 20 10 DFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CN(C)C ZINC000287779913 131299766 /nfs/dbraw/zinc/29/97/66/131299766.db2.gz AJNUDGNDTRCXEN-HNNXBMFYSA-N 0 3 320.481 2.623 20 10 DFCDHN [O-]c1ccccc1C[NH2+]CCCn1cc(Br)cn1 ZINC000288392103 131323669 /nfs/dbraw/zinc/32/36/69/131323669.db2.gz HDDSJDNBFJMRBH-UHFFFAOYSA-N 0 3 310.195 2.531 20 10 DFCDHN COc1cccc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000289179814 131363546 /nfs/dbraw/zinc/36/35/46/131363546.db2.gz AIBVQOXJVZRQLM-AWEZNQCLSA-N 0 3 321.417 2.955 20 10 DFCDHN COc1cccc(CNCc2cnc([C@H]3CCCO3)s2)c1O ZINC000289514948 131392591 /nfs/dbraw/zinc/39/25/91/131392591.db2.gz VAFPPPOYJPFWOK-CQSZACIVSA-N 0 3 320.414 2.999 20 10 DFCDHN CN(C)C(=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCCC1 ZINC000297918524 132040550 /nfs/dbraw/zinc/04/05/50/132040550.db2.gz WZOJMIZBCGSGNO-CQSZACIVSA-N 0 3 302.418 2.618 20 10 DFCDHN Nc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000298569600 132068660 /nfs/dbraw/zinc/06/86/60/132068660.db2.gz IQABTVHONVGIQO-MRXNPFEDSA-N 0 3 313.401 2.551 20 10 DFCDHN COc1ccc(CNCCn2cc(Br)cn2)cc1C ZINC000285606999 542998402 /nfs/dbraw/zinc/99/84/02/542998402.db2.gz XDELBGLGUQFDDL-UHFFFAOYSA-N 0 3 324.222 2.752 20 10 DFCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC1CCN(C)CC1 ZINC000054148181 425889678 /nfs/dbraw/zinc/88/96/78/425889678.db2.gz HUQATRZIEJXKDF-UHFFFAOYSA-N 0 3 317.458 2.980 20 10 DFCDHN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCN(C)C1 ZINC000066652530 425905732 /nfs/dbraw/zinc/90/57/32/425905732.db2.gz BJWBYCKLOADJJC-AWEZNQCLSA-N 0 3 317.458 2.837 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1[O-] ZINC000037648217 425848827 /nfs/dbraw/zinc/84/88/27/425848827.db2.gz IQZJSGOBADJFTO-RYUDHWBXSA-N 0 3 302.340 2.927 20 10 DFCDHN Cc1cnc(CC[N@@H+](C)Cc2cc3c(cc2[O-])OCO3)s1 ZINC000165203501 426122096 /nfs/dbraw/zinc/12/20/96/426122096.db2.gz NSVPEYMZXJWEQP-UHFFFAOYSA-N 0 3 306.387 2.560 20 10 DFCDHN Cc1cnc(CC[N@H+](C)Cc2cc3c(cc2[O-])OCO3)s1 ZINC000165203501 426122100 /nfs/dbraw/zinc/12/21/00/426122100.db2.gz NSVPEYMZXJWEQP-UHFFFAOYSA-N 0 3 306.387 2.560 20 10 DFCDHN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(C)c(C)cc3O)[C@H]2C1 ZINC000165304085 426122721 /nfs/dbraw/zinc/12/27/21/426122721.db2.gz VFJHCVHWYAFEOB-SOLBZPMBSA-N 0 3 305.418 2.777 20 10 DFCDHN COc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000151451605 426296980 /nfs/dbraw/zinc/29/69/80/426296980.db2.gz MSUQQTGWNXIDGD-CZUORRHYSA-N 0 3 309.431 2.545 20 10 DFCDHN CC[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N(C)C ZINC000119966810 426305117 /nfs/dbraw/zinc/30/51/17/426305117.db2.gz IZSMGRRCBXVKOA-SFHVURJKSA-N 0 3 317.477 2.879 20 10 DFCDHN CCOc1ccc(O)c(CNC(C)(C)C(=O)NCC(C)(C)C)c1 ZINC000121177425 426321836 /nfs/dbraw/zinc/32/18/36/426321836.db2.gz APJIZVFQRCGMLK-UHFFFAOYSA-N 0 3 322.449 2.821 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC[C@@H](n3cccn3)C2)c1 ZINC000092968192 426353490 /nfs/dbraw/zinc/35/34/90/426353490.db2.gz SLJUNSSIDOGBCX-OAHLLOKOSA-N 0 3 301.390 2.825 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000092968192 426353494 /nfs/dbraw/zinc/35/34/94/426353494.db2.gz SLJUNSSIDOGBCX-OAHLLOKOSA-N 0 3 301.390 2.825 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000092968192 426353496 /nfs/dbraw/zinc/35/34/96/426353496.db2.gz SLJUNSSIDOGBCX-OAHLLOKOSA-N 0 3 301.390 2.825 20 10 DFCDHN CC[C@H](COC)N[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152976834 426363589 /nfs/dbraw/zinc/36/35/89/426363589.db2.gz ZLJOLJIQLJCEDR-UKRRQHHQSA-N 0 3 310.413 2.738 20 10 DFCDHN CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000176985295 426431282 /nfs/dbraw/zinc/43/12/82/426431282.db2.gz YDUZRTOKJQKQFK-LBPRGKRZSA-N 0 3 308.397 2.829 20 10 DFCDHN C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(F)ccc1[O-] ZINC000176982505 426431433 /nfs/dbraw/zinc/43/14/33/426431433.db2.gz CTTGRIOBENYCME-LBPRGKRZSA-N 0 3 316.380 2.641 20 10 DFCDHN Cc1ccc(O)c(CN[C@H](C[S@](C)=O)c2ccccc2)c1 ZINC000154691419 426450466 /nfs/dbraw/zinc/45/04/66/426450466.db2.gz UZDSSKHYLFXWAR-IIBYNOLFSA-N 0 3 303.427 2.910 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1ccccc1[O-] ZINC000154980515 426461055 /nfs/dbraw/zinc/46/10/55/426461055.db2.gz PLMMFPDKDPANBV-IRXDYDNUSA-N 0 3 306.450 2.790 20 10 DFCDHN CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccccc1[O-] ZINC000155033359 426461956 /nfs/dbraw/zinc/46/19/56/426461956.db2.gz MYFVIHCMSKOOAY-HNNXBMFYSA-N 0 3 314.433 2.994 20 10 DFCDHN Oc1cc2c(cc1CN1CCC(C(F)(F)F)CC1)OCO2 ZINC000097987270 426475697 /nfs/dbraw/zinc/47/56/97/426475697.db2.gz ILIUNFKFXRGGLV-UHFFFAOYSA-N 0 3 303.280 2.895 20 10 DFCDHN CCCC(=O)N[C@H]1CCCN(Cc2cc(C)c(C)cc2O)C1 ZINC000101539053 426484466 /nfs/dbraw/zinc/48/44/66/426484466.db2.gz KZXLRRMLYMSDIK-INIZCTEOSA-N 0 3 304.434 2.890 20 10 DFCDHN CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000280239265 426527304 /nfs/dbraw/zinc/52/73/04/426527304.db2.gz VXXRYJLHURXQBR-AWEZNQCLSA-N 0 3 311.447 2.566 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(OC)CC2)cc1OC ZINC000280253989 426531874 /nfs/dbraw/zinc/53/18/74/426531874.db2.gz LIWDFLJHRKAZDJ-QGZVFWFLSA-N 0 3 309.406 2.800 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@](C)(OC)CC2)cc1OC ZINC000280253989 426531878 /nfs/dbraw/zinc/53/18/78/426531878.db2.gz LIWDFLJHRKAZDJ-QGZVFWFLSA-N 0 3 309.406 2.800 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000186171412 426490349 /nfs/dbraw/zinc/49/03/49/426490349.db2.gz PFVOJQHPSMXQLV-KGLIPLIRSA-N 0 3 313.401 2.725 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)c1 ZINC000186171363 426490413 /nfs/dbraw/zinc/49/04/13/426490413.db2.gz PFVOJQHPSMXQLV-UONOGXRCSA-N 0 3 313.401 2.725 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000280119741 426503465 /nfs/dbraw/zinc/50/34/65/426503465.db2.gz OGJSFIYCBSROPM-AEFFLSMTSA-N 0 3 319.493 2.625 20 10 DFCDHN CN(C)c1ccc(CN(C)CCCCO)c(C(F)(F)F)c1 ZINC000280467039 426581869 /nfs/dbraw/zinc/58/18/69/426581869.db2.gz CHABJMBXRNUYGF-UHFFFAOYSA-N 0 3 304.356 2.976 20 10 DFCDHN Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[O-] ZINC000224791402 426594096 /nfs/dbraw/zinc/59/40/96/426594096.db2.gz BUZVKXSKZLEIMJ-CQSZACIVSA-N 0 3 306.406 2.800 20 10 DFCDHN CCOc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC000280584361 426607405 /nfs/dbraw/zinc/60/74/05/426607405.db2.gz WYUZXUPALRHGNC-SUNYJGFJSA-N 0 3 321.417 2.559 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000289835629 426675583 /nfs/dbraw/zinc/67/55/83/426675583.db2.gz ULTAJROGPLUCAI-CQSZACIVSA-N 0 3 319.323 2.680 20 10 DFCDHN COc1cccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1[O-] ZINC000237212587 426689943 /nfs/dbraw/zinc/68/99/43/426689943.db2.gz HAWWPUHFZBLWIS-INIZCTEOSA-N 0 3 300.402 2.793 20 10 DFCDHN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccc(C)cc1[O-] ZINC000281314294 426711055 /nfs/dbraw/zinc/71/10/55/426711055.db2.gz ZKKAIGUNXPYEAZ-CQSZACIVSA-N 0 3 311.447 2.709 20 10 DFCDHN C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1cc(F)ccc1[O-] ZINC000290205309 426716226 /nfs/dbraw/zinc/71/62/26/426716226.db2.gz GXFPWOFVEHNEBG-NCAQKEMTSA-N 0 3 303.333 2.677 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]CCn2c(C)nc3ccccc32)c1 ZINC000237360660 426691778 /nfs/dbraw/zinc/69/17/78/426691778.db2.gz RHYZQJPZMFCXCO-UHFFFAOYSA-N 0 3 311.385 2.849 20 10 DFCDHN C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CN1Cc1ccccc1 ZINC000237563870 426695165 /nfs/dbraw/zinc/69/51/65/426695165.db2.gz QMWXUFNSDXESEE-KXBFYZLASA-N 0 3 323.440 2.591 20 10 DFCDHN COc1cc([O-])c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000281136933 426702631 /nfs/dbraw/zinc/70/26/31/426702631.db2.gz DKOOVDSRDLKOAP-CLLJXQQHSA-N 0 3 309.406 2.703 20 10 DFCDHN C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)N1CCCC1 ZINC000281588305 426724865 /nfs/dbraw/zinc/72/48/65/426724865.db2.gz LNQBVAZOLNMQEQ-KBPBESRZSA-N 0 3 316.445 2.933 20 10 DFCDHN C[C@H]([NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)C(=O)N1CCCC1 ZINC000281588305 426724868 /nfs/dbraw/zinc/72/48/68/426724868.db2.gz LNQBVAZOLNMQEQ-KBPBESRZSA-N 0 3 316.445 2.933 20 10 DFCDHN COc1ccc(O)c(CN[C@H](CN(C)C)c2ccc(F)cc2)c1 ZINC000290368241 426751859 /nfs/dbraw/zinc/75/18/59/426751859.db2.gz HGJYHJOMTNIXQX-QGZVFWFLSA-N 0 3 318.392 2.932 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000245565623 426752928 /nfs/dbraw/zinc/75/29/28/426752928.db2.gz RWCNWLAOPBQXFP-JFIYKMOQSA-N 0 3 318.461 2.774 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000245565623 426752933 /nfs/dbraw/zinc/75/29/33/426752933.db2.gz RWCNWLAOPBQXFP-JFIYKMOQSA-N 0 3 318.461 2.774 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290409279 426758363 /nfs/dbraw/zinc/75/83/63/426758363.db2.gz JXTMHPUWHKJIFC-BXUZGUMPSA-N 0 3 312.841 2.826 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290409279 426758366 /nfs/dbraw/zinc/75/83/66/426758366.db2.gz JXTMHPUWHKJIFC-BXUZGUMPSA-N 0 3 312.841 2.826 20 10 DFCDHN COC[C@@H](O)C[N@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179645364 426810651 /nfs/dbraw/zinc/81/06/51/426810651.db2.gz OMVWYUSGWUTAGD-QAPCUYQASA-N 0 3 315.413 2.963 20 10 DFCDHN COC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000179645364 426810656 /nfs/dbraw/zinc/81/06/56/426810656.db2.gz OMVWYUSGWUTAGD-QAPCUYQASA-N 0 3 315.413 2.963 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)c1 ZINC000179670934 426811321 /nfs/dbraw/zinc/81/13/21/426811321.db2.gz WWTSMISAFOFKQC-QWHCGFSZSA-N 0 3 303.406 2.893 20 10 DFCDHN Cc1cccc(CN2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000179671455 426812774 /nfs/dbraw/zinc/81/27/74/426812774.db2.gz HDAPRXMDACYOST-INIZCTEOSA-N 0 3 314.385 2.574 20 10 DFCDHN C[N@H+](CCCn1ccnc1)Cc1cc(Br)ccc1[O-] ZINC000290654400 426813279 /nfs/dbraw/zinc/81/32/79/426813279.db2.gz ZGBHYWQIHVNFJP-UHFFFAOYSA-N 0 3 324.222 2.873 20 10 DFCDHN C[N@@H+](CCCn1ccnc1)Cc1cc(Br)ccc1[O-] ZINC000290654400 426813281 /nfs/dbraw/zinc/81/32/81/426813281.db2.gz ZGBHYWQIHVNFJP-UHFFFAOYSA-N 0 3 324.222 2.873 20 10 DFCDHN COC(=O)c1ccc(CN(C)Cc2cc(OC)ccc2O)cc1 ZINC000179755350 426817248 /nfs/dbraw/zinc/81/72/48/426817248.db2.gz FLYMBBJDBBOIBD-UHFFFAOYSA-N 0 3 315.369 2.819 20 10 DFCDHN COc1ccc(O)c(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000290879473 426862129 /nfs/dbraw/zinc/86/21/29/426862129.db2.gz KRXPAWVNRNDTIS-CYBMUJFWSA-N 0 3 307.781 2.698 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000291460548 426886569 /nfs/dbraw/zinc/88/65/69/426886569.db2.gz DCGQIAXUVPHICM-SJLPKXTDSA-N 0 3 301.361 2.787 20 10 DFCDHN Cc1cc(C)cc([C@H](O)C[NH2+]Cc2cc3c(cc2[O-])OCO3)c1 ZINC000282416187 426906309 /nfs/dbraw/zinc/90/63/09/426906309.db2.gz BFOZHPQYCINCTG-MRXNPFEDSA-N 0 3 315.369 2.561 20 10 DFCDHN CCCOc1ccc(C[NH2+]CC2(COC)CCOCC2)c([O-])c1 ZINC000291693680 426954268 /nfs/dbraw/zinc/95/42/68/426954268.db2.gz JHGJMUDWHLGMGS-UHFFFAOYSA-N 0 3 323.433 2.714 20 10 DFCDHN CCOC(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296111156 427078101 /nfs/dbraw/zinc/07/81/01/427078101.db2.gz UVURHTYIJRIIAF-AWEZNQCLSA-N 0 3 304.390 2.590 20 10 DFCDHN CCOC(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296111159 427078947 /nfs/dbraw/zinc/07/89/47/427078947.db2.gz UVURHTYIJRIIAF-CQSZACIVSA-N 0 3 304.390 2.590 20 10 DFCDHN CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000296183011 427103209 /nfs/dbraw/zinc/10/32/09/427103209.db2.gz YFDOBOWYBKYTNO-MRXNPFEDSA-N 0 3 310.397 2.919 20 10 DFCDHN C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(F)ccc1[O-] ZINC000277097628 427134439 /nfs/dbraw/zinc/13/44/39/427134439.db2.gz LFTGYNWLIRBMBZ-GFCCVEGCSA-N 0 3 316.380 2.641 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH+](C)C)CC2)c1[O-] ZINC000277215984 427137966 /nfs/dbraw/zinc/13/79/66/427137966.db2.gz NPYZXQZUYVFHPI-HNNXBMFYSA-N 0 3 308.397 2.650 20 10 DFCDHN CC[C@@H](C)c1nc([C@H](C)NCc2cccc(OC)c2O)n[nH]1 ZINC000277155161 427138470 /nfs/dbraw/zinc/13/84/70/427138470.db2.gz GCWQMRYDAFXBRU-MNOVXSKESA-N 0 3 304.394 2.883 20 10 DFCDHN C[C@H](NCCOCC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000268873572 427138963 /nfs/dbraw/zinc/13/89/63/427138963.db2.gz GMVJICHXOZVGMX-HNNXBMFYSA-N 0 3 304.434 2.600 20 10 DFCDHN [O-]c1cccc(Cl)c1C[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000268970309 427143413 /nfs/dbraw/zinc/14/34/13/427143413.db2.gz MSUDOJCOYRNJLM-WBVHZDCISA-N 0 3 324.852 2.513 20 10 DFCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000268970309 427143418 /nfs/dbraw/zinc/14/34/18/427143418.db2.gz MSUDOJCOYRNJLM-WBVHZDCISA-N 0 3 324.852 2.513 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCOC[C@@H]2C)c1[O-] ZINC000277284743 427152190 /nfs/dbraw/zinc/15/21/90/427152190.db2.gz AFVUGQKFBKWRIU-GWCFXTLKSA-N 0 3 314.223 2.978 20 10 DFCDHN Cc1cc(CN2CCS[C@H]3COCC[C@@H]32)ccc1N(C)C ZINC000292829396 427201485 /nfs/dbraw/zinc/20/14/85/427201485.db2.gz OPWBRTPGTRHMIR-IRXDYDNUSA-N 0 3 306.475 2.767 20 10 DFCDHN O=C(NCCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1cccs1 ZINC000296800066 427239276 /nfs/dbraw/zinc/23/92/76/427239276.db2.gz LLPJGWJQAQJFHW-CYBMUJFWSA-N 0 3 316.426 2.851 20 10 DFCDHN C[C@](O)(CNCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000270325390 427319990 /nfs/dbraw/zinc/31/99/90/427319990.db2.gz ZJLXISULAVZOOZ-SFHVURJKSA-N 0 3 301.361 2.758 20 10 DFCDHN Cn1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000270653550 427365288 /nfs/dbraw/zinc/36/52/88/427365288.db2.gz REMGZUCWVANBIM-UHFFFAOYSA-N 0 3 313.445 2.524 20 10 DFCDHN C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000278791105 427452557 /nfs/dbraw/zinc/45/25/57/427452557.db2.gz YRUJTAZFIJBNES-UONOGXRCSA-N 0 3 310.413 2.683 20 10 DFCDHN C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(F)ccc1[O-] ZINC000278814872 427464110 /nfs/dbraw/zinc/46/41/10/427464110.db2.gz ZUZKSFDYOZFXHZ-UONOGXRCSA-N 0 3 310.413 2.683 20 10 DFCDHN Oc1ccccc1CN1CCN(CCc2cccs2)CC1 ZINC000271256754 427471833 /nfs/dbraw/zinc/47/18/33/427471833.db2.gz IRACPORFUSEZRM-UHFFFAOYSA-N 0 3 302.443 2.814 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278306545 427427853 /nfs/dbraw/zinc/42/78/53/427427853.db2.gz DUWSBRSBHXQRKD-QMTHXVAHSA-N 0 3 319.323 2.536 20 10 DFCDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000278363315 427430405 /nfs/dbraw/zinc/43/04/05/427430405.db2.gz AZSQOCWIDFMAIH-GOSISDBHSA-N 0 3 315.461 2.776 20 10 DFCDHN COC(=O)C[C@@](C)(NCc1cccc(C)c1O)c1ccncc1 ZINC000191905049 427443289 /nfs/dbraw/zinc/44/32/89/427443289.db2.gz BDOCEQXBYHDVCW-GOSISDBHSA-N 0 3 314.385 2.664 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)c1 ZINC000278968568 427515266 /nfs/dbraw/zinc/51/52/66/427515266.db2.gz NGQSUMQKQWBVLU-SUNYJGFJSA-N 0 3 315.417 2.863 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000184698430 427522556 /nfs/dbraw/zinc/52/25/56/427522556.db2.gz IYDYHHQKHGMCBL-BXUZGUMPSA-N 0 3 312.841 2.969 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000184698430 427522562 /nfs/dbraw/zinc/52/25/62/427522562.db2.gz IYDYHHQKHGMCBL-BXUZGUMPSA-N 0 3 312.841 2.969 20 10 DFCDHN CCCOc1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)c([O-])c1 ZINC000263676241 427536202 /nfs/dbraw/zinc/53/62/02/427536202.db2.gz LAYKDVHUEAWITO-UHFFFAOYSA-N 0 3 320.433 2.718 20 10 DFCDHN O=C1NCCCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000263683602 427538808 /nfs/dbraw/zinc/53/88/08/427538808.db2.gz NIEUIDZIXTXKPS-KRWDZBQOSA-N 0 3 310.397 2.818 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)c1ccccc1[O-] ZINC000279062693 427544570 /nfs/dbraw/zinc/54/45/70/427544570.db2.gz ZESARGGOMAEUNJ-GDZNZVCISA-N 0 3 301.390 2.554 20 10 DFCDHN Cc1cnc(N2CCN(Cc3cccc(C)c3O)CC2)s1 ZINC000271797201 427583520 /nfs/dbraw/zinc/58/35/20/427583520.db2.gz KEUCSDIUUPUIFT-UHFFFAOYSA-N 0 3 303.431 2.788 20 10 DFCDHN Cc1cccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1[O-] ZINC000271734302 427584425 /nfs/dbraw/zinc/58/44/25/427584425.db2.gz OCWRYGLOPGDIME-GOSISDBHSA-N 0 3 315.413 2.710 20 10 DFCDHN Cc1cccc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1[O-] ZINC000271734302 427584433 /nfs/dbraw/zinc/58/44/33/427584433.db2.gz OCWRYGLOPGDIME-GOSISDBHSA-N 0 3 315.413 2.710 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000271853983 427591244 /nfs/dbraw/zinc/59/12/44/427591244.db2.gz RYDODBFDEWFDBK-HIFRSBDPSA-N 0 3 301.386 2.655 20 10 DFCDHN CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185345547 427638465 /nfs/dbraw/zinc/63/84/65/427638465.db2.gz SRWJFFZJVMCKEX-IAGOWNOFSA-N 0 3 319.493 2.625 20 10 DFCDHN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185419942 427648832 /nfs/dbraw/zinc/64/88/32/427648832.db2.gz DDQHJVCQGPJVKQ-GTNSWQLSSA-N 0 3 305.349 2.924 20 10 DFCDHN Cc1cc(O)c(CN2CCC[C@H](OC(=O)N(C)C)C2)cc1C ZINC000294826742 427660682 /nfs/dbraw/zinc/66/06/82/427660682.db2.gz PNUZOMSYLOPHQA-HNNXBMFYSA-N 0 3 306.406 2.672 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCO2)c1[O-] ZINC000295097417 427690503 /nfs/dbraw/zinc/69/05/03/427690503.db2.gz SGDZQRSGOSOGKO-GFCCVEGCSA-N 0 3 300.196 2.732 20 10 DFCDHN CCOCc1cc(CN[C@@H]2CC[C@H](C(=O)OC)C2)ccc1OC ZINC000193497785 427694545 /nfs/dbraw/zinc/69/45/45/427694545.db2.gz IFKFCALCOXJPAM-GOEBONIOSA-N 0 3 321.417 2.663 20 10 DFCDHN CN(C)c1ccc(CN(C)[C@@H]2CCOC2)c(C(F)(F)F)c1 ZINC000279594306 427709960 /nfs/dbraw/zinc/70/99/60/427709960.db2.gz HVINABCPSHTNPH-CYBMUJFWSA-N 0 3 302.340 2.992 20 10 DFCDHN CC[C@@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1ccc(C)cc1[O-] ZINC000279996344 427725960 /nfs/dbraw/zinc/72/59/60/427725960.db2.gz FRMJFCOVCQBCOB-SJLPKXTDSA-N 0 3 319.493 2.767 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc2c(cc1[O-])CCCC2 ZINC000186088902 427747097 /nfs/dbraw/zinc/74/70/97/427747097.db2.gz XTIXPFIKKPAPGZ-IUODEOHRSA-N 0 3 314.429 2.685 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(CN3CCCC3=O)CC2)cc1C ZINC000369762130 428054608 /nfs/dbraw/zinc/05/46/08/428054608.db2.gz GSQFJBAVIRWRPV-UHFFFAOYSA-N 0 3 316.445 2.843 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC(Cn2ccnn2)CC1 ZINC000369890984 428084113 /nfs/dbraw/zinc/08/41/13/428084113.db2.gz ZMGQUYWLADINFZ-INIZCTEOSA-N 0 3 300.406 2.847 20 10 DFCDHN CC[C@@H](c1ccccc1O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000370223762 428161837 /nfs/dbraw/zinc/16/18/37/428161837.db2.gz DZSHOUUPSJTXQY-FUHWJXTLSA-N 0 3 315.417 2.824 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2N2CCOCC2)c([O-])c1 ZINC000371870278 428406433 /nfs/dbraw/zinc/40/64/33/428406433.db2.gz OXWJLLLDYPOIDH-XYJFISCASA-N 0 3 318.461 2.852 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c([O-])c1 ZINC000371835318 428407186 /nfs/dbraw/zinc/40/71/86/428407186.db2.gz RZDXACKOPBYYTF-SZMVWBNQSA-N 0 3 318.461 2.995 20 10 DFCDHN Cc1nc(C)n([C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)n1 ZINC000371381035 428384825 /nfs/dbraw/zinc/38/48/25/428384825.db2.gz UJSPAVUYMVSGIY-SFHVURJKSA-N 0 3 313.449 2.798 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000371384314 428386371 /nfs/dbraw/zinc/38/63/71/428386371.db2.gz RYHKEVAFSLBWTN-UHFFFAOYSA-N 0 3 301.390 2.894 20 10 DFCDHN CN(C)c1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1F ZINC000372434250 428447269 /nfs/dbraw/zinc/44/72/69/428447269.db2.gz YPECDTPKQMRQKC-UHFFFAOYSA-N 0 3 302.397 2.994 20 10 DFCDHN Cc1ccc(O)c(CN2CCCN(C(=O)c3ccco3)CC2)c1 ZINC000372797131 428502578 /nfs/dbraw/zinc/50/25/78/428502578.db2.gz COCXRQFFKIVEGL-UHFFFAOYSA-N 0 3 314.385 2.642 20 10 DFCDHN CC(=O)N1CC[N@H+](Cc2ccccc2[O-])CC12CCCCC2 ZINC000361071007 428531572 /nfs/dbraw/zinc/53/15/72/428531572.db2.gz ZOZIQQCIAMMLEC-UHFFFAOYSA-N 0 3 302.418 2.759 20 10 DFCDHN CC(=O)N1CC[N@@H+](Cc2ccccc2[O-])CC12CCCCC2 ZINC000361071007 428531578 /nfs/dbraw/zinc/53/15/78/428531578.db2.gz ZOZIQQCIAMMLEC-UHFFFAOYSA-N 0 3 302.418 2.759 20 10 DFCDHN CCN(CC)c1ccc(CN[C@H]2CCc3nccn3C2)cc1F ZINC000361489915 428571601 /nfs/dbraw/zinc/57/16/01/428571601.db2.gz MHALXVWCCIEVIN-HNNXBMFYSA-N 0 3 316.424 2.973 20 10 DFCDHN COc1cccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1[O-] ZINC000362088425 428616635 /nfs/dbraw/zinc/61/66/35/428616635.db2.gz WCUFMHCAYKJOMA-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN COc1cccc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1[O-] ZINC000362088425 428616639 /nfs/dbraw/zinc/61/66/39/428616639.db2.gz WCUFMHCAYKJOMA-ZDUSSCGKSA-N 0 3 301.390 2.514 20 10 DFCDHN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1ccc(N(C)C)cc1 ZINC000284734597 274063346 /nfs/dbraw/zinc/06/33/46/274063346.db2.gz UCIPOCYKFCSLKU-IPMKNSEASA-N 0 3 318.461 2.769 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000362234554 428670624 /nfs/dbraw/zinc/67/06/24/428670624.db2.gz IBOPLXYSAHODBF-IAGOWNOFSA-N 0 3 302.418 2.676 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000362234554 428670629 /nfs/dbraw/zinc/67/06/29/428670629.db2.gz IBOPLXYSAHODBF-IAGOWNOFSA-N 0 3 302.418 2.676 20 10 DFCDHN Cc1ccc(O)c(CN2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC000362622344 428794114 /nfs/dbraw/zinc/79/41/14/428794114.db2.gz MUCUZLHOVFUTJN-INIZCTEOSA-N 0 3 302.418 2.678 20 10 DFCDHN COC(=O)c1ccc(CNCc2c(C)c3ccccc3n2C)[nH]1 ZINC000355110882 429029387 /nfs/dbraw/zinc/02/93/87/429029387.db2.gz CEILOYATAHLSNZ-UHFFFAOYSA-N 0 3 311.385 2.891 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)c1 ZINC000376520426 429128570 /nfs/dbraw/zinc/12/85/70/429128570.db2.gz KMXSTEVSEQIWNQ-XJKSGUPXSA-N 0 3 315.417 2.618 20 10 DFCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000376520426 429128573 /nfs/dbraw/zinc/12/85/73/429128573.db2.gz KMXSTEVSEQIWNQ-XJKSGUPXSA-N 0 3 315.417 2.618 20 10 DFCDHN COc1cccc(CN2CCC(c3nccc(C)n3)CC2)c1O ZINC000363874512 429131141 /nfs/dbraw/zinc/13/11/41/429131141.db2.gz IGDYCQFUUIGLKO-UHFFFAOYSA-N 0 3 313.401 2.879 20 10 DFCDHN COc1cccc(C[NH+]2CCC(c3nccc(C)n3)CC2)c1[O-] ZINC000363874512 429131146 /nfs/dbraw/zinc/13/11/46/429131146.db2.gz IGDYCQFUUIGLKO-UHFFFAOYSA-N 0 3 313.401 2.879 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000364624848 429236446 /nfs/dbraw/zinc/23/64/46/429236446.db2.gz UZPRZKDAWPMQMK-KGLIPLIRSA-N 0 3 301.390 2.995 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000364624848 429236448 /nfs/dbraw/zinc/23/64/48/429236448.db2.gz UZPRZKDAWPMQMK-KGLIPLIRSA-N 0 3 301.390 2.995 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000364675118 429247488 /nfs/dbraw/zinc/24/74/88/429247488.db2.gz SJCWEMQUPDUJME-LPHOPBHVSA-N 0 3 311.429 2.878 20 10 DFCDHN CCN(CC)c1ccc(CN(C)[C@@H]2CCCCNC2=O)cc1 ZINC000365540800 429338069 /nfs/dbraw/zinc/33/80/69/429338069.db2.gz SFYOAMJVBXYWBO-QGZVFWFLSA-N 0 3 303.450 2.633 20 10 DFCDHN COc1ccc(N2CCC(N(C)Cc3cnn(C)c3)CC2)cc1 ZINC000365719055 429362428 /nfs/dbraw/zinc/36/24/28/429362428.db2.gz QQKNFQUAQTYGIP-UHFFFAOYSA-N 0 3 314.433 2.530 20 10 DFCDHN Cc1cc(O)c(CN2CCC(Oc3cnccn3)CC2)cc1C ZINC000365833669 429381645 /nfs/dbraw/zinc/38/16/45/429381645.db2.gz RABBKBMYVSSSMQ-UHFFFAOYSA-N 0 3 313.401 2.842 20 10 DFCDHN Cc1cc([O-])c(C[NH+]2CCC(Oc3cnccn3)CC2)cc1C ZINC000365833669 429381650 /nfs/dbraw/zinc/38/16/50/429381650.db2.gz RABBKBMYVSSSMQ-UHFFFAOYSA-N 0 3 313.401 2.842 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368041398 429773880 /nfs/dbraw/zinc/77/38/80/429773880.db2.gz KWJQDDFFUANORY-CJNGLKHVSA-N 0 3 312.417 3.095 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368041398 429773883 /nfs/dbraw/zinc/77/38/83/429773883.db2.gz KWJQDDFFUANORY-CJNGLKHVSA-N 0 3 312.417 3.095 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCN(c3ccncn3)C2)c1 ZINC000368330593 429831848 /nfs/dbraw/zinc/83/18/48/429831848.db2.gz GWKKWAZLHJAZET-LSDHHAIUSA-N 0 3 312.417 2.810 20 10 DFCDHN CC[C@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1ccc(C)cc1[O-] ZINC000280011174 276638259 /nfs/dbraw/zinc/63/82/59/276638259.db2.gz GSHPFPAUYKPYFZ-UXLLHSPISA-N 0 3 306.450 2.851 20 10 DFCDHN CC1(C)CN(C(=O)c2cn[n-]c2[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000643508176 430611224 /nfs/dbraw/zinc/61/12/24/430611224.db2.gz QOYMGXZFRHCBET-CYBMUJFWSA-N 0 3 324.428 2.815 20 10 DFCDHN C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185028822 278265341 /nfs/dbraw/zinc/26/53/41/278265341.db2.gz AJNNHFRQZSZXMK-GJZGRUSLSA-N 0 3 318.461 2.642 20 10 DFCDHN CN1CCCN(C(=O)c2cccc3c2CCNC3)c2ccccc21 ZINC000662734635 431178595 /nfs/dbraw/zinc/17/85/95/431178595.db2.gz RLRXCAQNRZLTEN-UHFFFAOYSA-N 0 3 321.424 2.819 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2[O-])n1 ZINC000363519992 293248890 /nfs/dbraw/zinc/24/88/90/293248890.db2.gz NKVPHEQXYMLNRD-QGZVFWFLSA-N 0 3 314.433 2.882 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2cc(C)c(C)cc2[O-])n1 ZINC000363519992 293248894 /nfs/dbraw/zinc/24/88/94/293248894.db2.gz NKVPHEQXYMLNRD-QGZVFWFLSA-N 0 3 314.433 2.882 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000130429541 332024466 /nfs/dbraw/zinc/02/44/66/332024466.db2.gz JKDGGZNVGGDXDQ-HIFRSBDPSA-N 0 3 301.386 2.655 20 10 DFCDHN C[C@H](NCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000132859521 332135256 /nfs/dbraw/zinc/13/52/56/332135256.db2.gz DHKXUIZUUZGJQX-ZDUSSCGKSA-N 0 3 307.438 2.928 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2cccnn2)CC1 ZINC000170638931 333037751 /nfs/dbraw/zinc/03/77/51/333037751.db2.gz IYBUOSLJAQVAGN-UHFFFAOYSA-N 0 3 320.396 2.658 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000113343410 333119571 /nfs/dbraw/zinc/11/95/71/333119571.db2.gz OEAWUNUATSNRQP-AWEZNQCLSA-N 0 3 306.406 2.800 20 10 DFCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)CC2 ZINC000295790240 335137737 /nfs/dbraw/zinc/13/77/37/335137737.db2.gz BNJJCJSWKIZZQB-YOEHRIQHSA-N 0 3 315.388 2.959 20 10 DFCDHN CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(C)c3[O-])[C@H]2C1 ZINC000293672126 334200661 /nfs/dbraw/zinc/20/06/61/334200661.db2.gz OZKYXRXPGPFRBK-JKSUJKDBSA-N 0 3 324.852 2.649 20 10 DFCDHN CC[N@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(C)c3[O-])[C@H]2C1 ZINC000293672126 334200662 /nfs/dbraw/zinc/20/06/62/334200662.db2.gz OZKYXRXPGPFRBK-JKSUJKDBSA-N 0 3 324.852 2.649 20 10 DFCDHN CCC[C@@H](C(=O)NCc1c(C)c2ccccc2n1C)N(C)C ZINC000352126968 336195777 /nfs/dbraw/zinc/19/57/77/336195777.db2.gz ZODNFSJMICFHJC-INIZCTEOSA-N 0 3 301.434 2.833 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000192709622 336259098 /nfs/dbraw/zinc/25/90/98/336259098.db2.gz LBBVHHVUFCYCCD-AWEZNQCLSA-N 0 3 312.417 2.810 20 10 DFCDHN CCc1nnc2n1C[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])CC2 ZINC000362034233 336782810 /nfs/dbraw/zinc/78/28/10/336782810.db2.gz AMAMBEQETKFPPH-CYBMUJFWSA-N 0 3 320.824 2.613 20 10 DFCDHN Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)c(C)n1-c1ccccc1 ZINC000368212019 336840313 /nfs/dbraw/zinc/84/03/13/336840313.db2.gz HCCBEHIHQGPOTG-GJZGRUSLSA-N 0 3 315.392 2.524 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c([O-])c1C ZINC000368329756 336842527 /nfs/dbraw/zinc/84/25/27/336842527.db2.gz DXHXIKFKIVRACS-ZBFHGGJFSA-N 0 3 304.434 2.523 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000371835162 336914229 /nfs/dbraw/zinc/91/42/29/336914229.db2.gz QUECJDBRESVNRM-SZMVWBNQSA-N 0 3 318.461 2.995 20 10 DFCDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CN1[C@H]1C[C@H]1c1ccccc1 ZINC000374156537 336982570 /nfs/dbraw/zinc/98/25/70/336982570.db2.gz HGBGRBLTMQMZOT-BZSNNMDCSA-N 0 3 322.408 2.639 20 10 DFCDHN COc1cc(O)c(CN2CCCO[C@H]3CCC[C@H]32)cc1OC ZINC000375023423 337001824 /nfs/dbraw/zinc/00/18/24/337001824.db2.gz UPFQPHLIIPEGNJ-HIFRSBDPSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)cc1OC ZINC000375023423 337001825 /nfs/dbraw/zinc/00/18/25/337001825.db2.gz UPFQPHLIIPEGNJ-HIFRSBDPSA-N 0 3 307.390 2.553 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCCO[C@H]3CCC[C@H]32)cc1OC ZINC000375023423 337001826 /nfs/dbraw/zinc/00/18/26/337001826.db2.gz UPFQPHLIIPEGNJ-HIFRSBDPSA-N 0 3 307.390 2.553 20 10 DFCDHN COCCn1ncc2c1[C@H]([NH2+]Cc1cc(F)ccc1[O-])CCC2 ZINC000375205678 337005754 /nfs/dbraw/zinc/00/57/54/337005754.db2.gz DYPYWGXICUUKTK-OAHLLOKOSA-N 0 3 319.380 2.541 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC(c2nncn2C)CC1 ZINC000375307218 337007714 /nfs/dbraw/zinc/00/77/14/337007714.db2.gz FPUUEGWMMFIMHP-OAHLLOKOSA-N 0 3 300.406 2.851 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000375862057 337021666 /nfs/dbraw/zinc/02/16/66/337021666.db2.gz SCWHQSQLLUPFQG-QZTJIDSGSA-N 0 3 316.445 2.984 20 10 DFCDHN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000375862057 337021667 /nfs/dbraw/zinc/02/16/67/337021667.db2.gz SCWHQSQLLUPFQG-QZTJIDSGSA-N 0 3 316.445 2.984 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cc(F)ccc1[O-] ZINC000376029136 337025630 /nfs/dbraw/zinc/02/56/30/337025630.db2.gz NBQKMUSCMZKWPC-TZMCWYRMSA-N 0 3 318.396 2.584 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccncn3)C2)c([O-])c1 ZINC000376310081 337031139 /nfs/dbraw/zinc/03/11/39/337031139.db2.gz XPCWPOLFCFIYJQ-CABCVRRESA-N 0 3 312.417 2.810 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000377616793 337056460 /nfs/dbraw/zinc/05/64/60/337056460.db2.gz QVBBOFGXSZBTLX-JFIYKMOQSA-N 0 3 318.461 2.764 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@H]1CN1CCC[C@@H]1CO ZINC000377616793 337056461 /nfs/dbraw/zinc/05/64/61/337056461.db2.gz QVBBOFGXSZBTLX-JFIYKMOQSA-N 0 3 318.461 2.764 20 10 DFCDHN CC[C@@H]1CN([C@H](C)c2cc(OC)ccc2O)C[C@]2(CCOC2)O1 ZINC000377699872 337059033 /nfs/dbraw/zinc/05/90/33/337059033.db2.gz QREQMFZYWZTCDJ-LBTNJELSSA-N 0 3 321.417 2.732 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000377890305 337063488 /nfs/dbraw/zinc/06/34/88/337063488.db2.gz UHOAJCVYECQBEK-CHWSQXEVSA-N 0 3 301.390 2.685 20 10 DFCDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000377890305 337063489 /nfs/dbraw/zinc/06/34/89/337063489.db2.gz UHOAJCVYECQBEK-CHWSQXEVSA-N 0 3 301.390 2.685 20 10 DFCDHN CCc1nc([C@@H]2CCCN(Cc3cccc(OC)c3O)C2)no1 ZINC000378347066 337070673 /nfs/dbraw/zinc/07/06/73/337070673.db2.gz BSRWYBXQJLDOSA-CYBMUJFWSA-N 0 3 317.389 2.726 20 10 DFCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378442459 337072703 /nfs/dbraw/zinc/07/27/03/337072703.db2.gz NVOZVXNFAWRUHH-IAGOWNOFSA-N 0 3 315.417 2.522 20 10 DFCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000378442459 337072704 /nfs/dbraw/zinc/07/27/04/337072704.db2.gz NVOZVXNFAWRUHH-IAGOWNOFSA-N 0 3 315.417 2.522 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000378490562 337074231 /nfs/dbraw/zinc/07/42/31/337074231.db2.gz DUGMVCQJTJUUAB-HOTGVXAUSA-N 0 3 306.381 2.507 20 10 DFCDHN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000378490562 337074232 /nfs/dbraw/zinc/07/42/32/337074232.db2.gz DUGMVCQJTJUUAB-HOTGVXAUSA-N 0 3 306.381 2.507 20 10 DFCDHN CCOC(=O)C1(C)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000378543589 337075560 /nfs/dbraw/zinc/07/55/60/337075560.db2.gz QLQCXJINNQHDMI-UHFFFAOYSA-N 0 3 304.434 2.918 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1OC ZINC000360043003 337084370 /nfs/dbraw/zinc/08/43/70/337084370.db2.gz ZUKVQAABLMNVCF-JLZZUVOBSA-N 0 3 321.417 2.703 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2ccc(-n3ccnc3)nc2)c1 ZINC000182404566 337188273 /nfs/dbraw/zinc/18/82/73/337188273.db2.gz XWSOTDWXZMBIQI-CYBMUJFWSA-N 0 3 324.384 2.832 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccccc1[O-] ZINC000183552771 337192178 /nfs/dbraw/zinc/19/21/78/337192178.db2.gz CXHNAELIQSOMCL-CHWSQXEVSA-N 0 3 301.365 2.856 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)c1 ZINC000185552321 337249021 /nfs/dbraw/zinc/24/90/21/337249021.db2.gz DPDJSEJZVIGSAY-HUUCEWRRSA-N 0 3 314.433 2.754 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cc(F)ccc1[O-] ZINC000185687908 337250096 /nfs/dbraw/zinc/25/00/96/337250096.db2.gz BUURUPJAOQDZKV-WCQYABFASA-N 0 3 319.355 2.995 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC(Cn3cncn3)CC2)c1[O-] ZINC000189973949 337284162 /nfs/dbraw/zinc/28/41/62/337284162.db2.gz WUVBQZYHNVPVMP-UHFFFAOYSA-N 0 3 320.824 2.858 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190287412 337286489 /nfs/dbraw/zinc/28/64/89/337286489.db2.gz LWUNDZDCSQFWBU-HOCLYGCPSA-N 0 3 319.426 2.670 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000190287412 337286490 /nfs/dbraw/zinc/28/64/90/337286490.db2.gz LWUNDZDCSQFWBU-HOCLYGCPSA-N 0 3 319.426 2.670 20 10 DFCDHN CCOc1ccc(O)c(CN[C@]2(CO)CCc3ccccc32)c1 ZINC000305186374 337387135 /nfs/dbraw/zinc/38/71/35/337387135.db2.gz UEOAJWISALHFNU-IBGZPJMESA-N 0 3 313.397 2.715 20 10 DFCDHN CN1C(=O)C[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]1c1ccc(F)cc1 ZINC000120005420 337395358 /nfs/dbraw/zinc/39/53/58/337395358.db2.gz UISWYQSYUHMQHF-YJBOKZPZSA-N 0 3 314.360 2.593 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000528015739 337783812 /nfs/dbraw/zinc/78/38/12/337783812.db2.gz MORRTICRVWHSCV-AWEZNQCLSA-N 0 3 304.434 3.000 20 10 DFCDHN CCC(CC)[C@@H](O)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230934659 340621422 /nfs/dbraw/zinc/62/14/22/340621422.db2.gz YSPXXUUKFGPXAS-ZDUSSCGKSA-N 0 3 301.814 2.941 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@]2(C)COc3ccccc3O2)c1 ZINC000529636477 340765852 /nfs/dbraw/zinc/76/58/52/340765852.db2.gz CSCGLRLZHFXFEM-GOSISDBHSA-N 0 3 315.369 2.721 20 10 DFCDHN O=C1C[C@@H]([NH2+]Cc2c([O-])ccc3ccccc32)[C@H]2CCCCN12 ZINC000369225051 501078846 /nfs/dbraw/zinc/07/88/46/501078846.db2.gz NFOYAUFCHNSJTE-IAGOWNOFSA-N 0 3 310.397 2.788 20 10 DFCDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179931721 519873381 /nfs/dbraw/zinc/87/33/81/519873381.db2.gz JLBAGCTWPOPBKB-AWEZNQCLSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179931721 519873382 /nfs/dbraw/zinc/87/33/82/519873382.db2.gz JLBAGCTWPOPBKB-AWEZNQCLSA-N 0 3 320.433 2.529 20 10 DFCDHN CCOc1ccc(O)c(CN2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000131945307 521144401 /nfs/dbraw/zinc/14/44/01/521144401.db2.gz RPWMHXHWAZYAQE-MRXNPFEDSA-N 0 3 301.390 2.862 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)c1[O-] ZINC000236938660 521364652 /nfs/dbraw/zinc/36/46/52/521364652.db2.gz LTBOGOJSLOSDBZ-MRXNPFEDSA-N 0 3 301.386 2.923 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@@](C)(O)c2cccs2)c1[O-] ZINC000265787092 521365794 /nfs/dbraw/zinc/36/57/94/521365794.db2.gz PUEJGRUIIZBIRR-MRXNPFEDSA-N 0 3 307.415 2.850 20 10 DFCDHN CN(C)c1ccc(CN2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000363842196 522176123 /nfs/dbraw/zinc/17/61/23/522176123.db2.gz BRSRTUWSJSGICI-KRWDZBQOSA-N 0 3 318.461 2.770 20 10 DFCDHN CN(C)c1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1F ZINC000237082804 522190568 /nfs/dbraw/zinc/19/05/68/522190568.db2.gz QHSKVMWVUUXQMJ-MRXNPFEDSA-N 0 3 315.392 2.598 20 10 DFCDHN COC[C@@](C)(CCO)NCc1ccc(N2CCCCC2)cc1 ZINC000267320485 522525396 /nfs/dbraw/zinc/52/53/96/522525396.db2.gz FIVXKINJPRKIFG-GOSISDBHSA-N 0 3 306.450 2.554 20 10 DFCDHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](CC)c1ccccc1[O-])CC2 ZINC000156506484 522527101 /nfs/dbraw/zinc/52/71/01/522527101.db2.gz OBVQFVJMIDMLCL-GXTWGEPZSA-N 0 3 300.406 2.602 20 10 DFCDHN CC[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccc(C)cc1[O-] ZINC000365580064 522928107 /nfs/dbraw/zinc/92/81/07/522928107.db2.gz CSMBOYRCXWFFOY-GDBMZVCRSA-N 0 3 314.433 2.754 20 10 DFCDHN COCCN(C)c1ccc(CN(C)Cc2ccccc2O)cn1 ZINC000191253524 523633788 /nfs/dbraw/zinc/63/37/88/523633788.db2.gz HCHFGJWYTQIXGQ-UHFFFAOYSA-N 0 3 315.417 2.502 20 10 DFCDHN C[C@H]1CC[C@@H](CN(C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000188569114 524349152 /nfs/dbraw/zinc/34/91/52/524349152.db2.gz XLMZZUJTCMJBAD-YJBOKZPZSA-N 0 3 304.434 2.523 20 10 DFCDHN Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCCC2)c1O ZINC000368460683 524390219 /nfs/dbraw/zinc/39/02/19/524390219.db2.gz BKNQHCOCUCHRLA-MRXNPFEDSA-N 0 3 302.418 2.678 20 10 DFCDHN C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H]1[NH+](C)C ZINC000131471194 524612785 /nfs/dbraw/zinc/61/27/85/524612785.db2.gz VVDGYYWAAPXXBT-GWCFXTLKSA-N 0 3 313.239 2.537 20 10 DFCDHN COc1ccc(O)c(CN(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000180218270 524735436 /nfs/dbraw/zinc/73/54/36/524735436.db2.gz OAVWFQIURGWYKZ-LBPRGKRZSA-N 0 3 324.421 2.746 20 10 DFCDHN COc1ccc([O-])c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000179907648 524737335 /nfs/dbraw/zinc/73/73/35/524737335.db2.gz NHYPZBKBEGCIKF-KRWDZBQOSA-N 0 3 321.417 2.561 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000180140525 524738146 /nfs/dbraw/zinc/73/81/46/524738146.db2.gz AWORSFQQHIODRQ-OAHLLOKOSA-N 0 3 301.390 2.743 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000180140525 524738155 /nfs/dbraw/zinc/73/81/55/524738155.db2.gz AWORSFQQHIODRQ-OAHLLOKOSA-N 0 3 301.390 2.743 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000180140525 524738164 /nfs/dbraw/zinc/73/81/64/524738164.db2.gz AWORSFQQHIODRQ-OAHLLOKOSA-N 0 3 301.390 2.743 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000180014931 524866887 /nfs/dbraw/zinc/86/68/87/524866887.db2.gz MCKARXGRVIDXMI-LBPRGKRZSA-N 0 3 311.809 2.939 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000180014931 524866898 /nfs/dbraw/zinc/86/68/98/524866898.db2.gz MCKARXGRVIDXMI-LBPRGKRZSA-N 0 3 311.809 2.939 20 10 DFCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)C(=O)NCc2ccco2)c1[O-] ZINC000181200812 524874476 /nfs/dbraw/zinc/87/44/76/524874476.db2.gz VFQXFKSSCFBFAF-LLVKDONJSA-N 0 3 322.792 2.742 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)c1 ZINC000265154767 525349094 /nfs/dbraw/zinc/34/90/94/525349094.db2.gz PMQBXTJCYPETBE-KRWDZBQOSA-N 0 3 307.340 2.976 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000179891453 525565875 /nfs/dbraw/zinc/56/58/75/525565875.db2.gz GADRYMIITSQGKD-SWLSCSKDSA-N 0 3 314.360 2.987 20 10 DFCDHN Cc1cc(Br)cc(C[N@@H+](C)[C@H]2CCOC2)c1[O-] ZINC000124590187 526158889 /nfs/dbraw/zinc/15/88/89/526158889.db2.gz VEPOEIRNDWBDGV-LBPRGKRZSA-N 0 3 300.196 2.684 20 10 DFCDHN Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCOC2)c1[O-] ZINC000124590187 526158900 /nfs/dbraw/zinc/15/89/00/526158900.db2.gz VEPOEIRNDWBDGV-LBPRGKRZSA-N 0 3 300.196 2.684 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000179984574 526348169 /nfs/dbraw/zinc/34/81/69/526348169.db2.gz SEFPKWOWWOEDKK-UHFFFAOYSA-N 0 3 307.394 2.700 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000179984574 526348173 /nfs/dbraw/zinc/34/81/73/526348173.db2.gz SEFPKWOWWOEDKK-UHFFFAOYSA-N 0 3 307.394 2.700 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000131231895 526356585 /nfs/dbraw/zinc/35/65/85/526356585.db2.gz CQSUXRUXQAFPDF-UHFFFAOYSA-N 0 3 313.397 2.927 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000131231895 526356590 /nfs/dbraw/zinc/35/65/90/526356590.db2.gz CQSUXRUXQAFPDF-UHFFFAOYSA-N 0 3 313.397 2.927 20 10 DFCDHN [O-]c1cccc(Cl)c1C[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000264945694 526363620 /nfs/dbraw/zinc/36/36/20/526363620.db2.gz IOSKJEMKRJNXJT-UHFFFAOYSA-N 0 3 324.852 2.780 20 10 DFCDHN [O-]c1cccc(Cl)c1CNCC1([NH+]2CCCC2)CCOCC1 ZINC000264945694 526363626 /nfs/dbraw/zinc/36/36/26/526363626.db2.gz IOSKJEMKRJNXJT-UHFFFAOYSA-N 0 3 324.852 2.780 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CCC1OCCCO1)C[C@H]1CCCO1 ZINC000267931568 526372024 /nfs/dbraw/zinc/37/20/24/526372024.db2.gz LSRBWSCZCSEGDR-MRXNPFEDSA-N 0 3 321.417 2.526 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CCC1OCCCO1)C[C@H]1CCCO1 ZINC000267931568 526372028 /nfs/dbraw/zinc/37/20/28/526372028.db2.gz LSRBWSCZCSEGDR-MRXNPFEDSA-N 0 3 321.417 2.526 20 10 DFCDHN O=C(c1cccc(O)c1[O-])N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000364830790 526772217 /nfs/dbraw/zinc/77/22/17/526772217.db2.gz QUIMQWXMEFGHRC-CQSZACIVSA-N 0 3 318.417 2.578 20 10 DFCDHN O=C1NC[C@@]2(CCC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC000364890792 527075497 /nfs/dbraw/zinc/07/54/97/527075497.db2.gz LGEJLHCMHGWTJX-GOSISDBHSA-N 0 3 312.369 2.620 20 10 DFCDHN O=C1NC[C@@]2(CCC[N@H+](Cc3c([O-])ccc4ccccc43)C2)O1 ZINC000364890792 527075502 /nfs/dbraw/zinc/07/55/02/527075502.db2.gz LGEJLHCMHGWTJX-GOSISDBHSA-N 0 3 312.369 2.620 20 10 DFCDHN [O-]c1ccccc1C[N@H+](CCCCCCO)C[C@H]1CCCO1 ZINC000079321401 185165083 /nfs/dbraw/zinc/16/50/83/185165083.db2.gz RORILQDPBDFDPZ-QGZVFWFLSA-N 0 3 307.434 2.926 20 10 DFCDHN [O-]c1ccccc1C[N@@H+](CCCCCCO)C[C@H]1CCCO1 ZINC000079321401 185165084 /nfs/dbraw/zinc/16/50/84/185165084.db2.gz RORILQDPBDFDPZ-QGZVFWFLSA-N 0 3 307.434 2.926 20 10 DFCDHN CN(C)c1ccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000092455218 185319782 /nfs/dbraw/zinc/31/97/82/185319782.db2.gz DWKFWLZKYFOXIF-HNNXBMFYSA-N 0 3 319.449 2.852 20 10 DFCDHN CC[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(N(C)C)cc1 ZINC000089680114 398463463 /nfs/dbraw/zinc/46/34/63/398463463.db2.gz RHRSLPYFOARTKX-RTBURBONSA-N 0 3 317.477 2.657 20 10 DFCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000093134401 193205723 /nfs/dbraw/zinc/20/57/23/193205723.db2.gz BEQOHKQNQAKLKT-AWEZNQCLSA-N 0 3 312.417 2.618 20 10 DFCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000093134401 193205724 /nfs/dbraw/zinc/20/57/24/193205724.db2.gz BEQOHKQNQAKLKT-AWEZNQCLSA-N 0 3 312.417 2.618 20 10 DFCDHN CN(Cc1cc2c(cc1O)OCO2)[C@@H](CCO)c1ccccc1 ZINC000093442745 193253023 /nfs/dbraw/zinc/25/30/23/193253023.db2.gz QCNHECPVSXIIJP-HNNXBMFYSA-N 0 3 315.369 2.676 20 10 DFCDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H](CCO)c1ccccc1 ZINC000093442745 193253025 /nfs/dbraw/zinc/25/30/25/193253025.db2.gz QCNHECPVSXIIJP-HNNXBMFYSA-N 0 3 315.369 2.676 20 10 DFCDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H](CCO)c1ccccc1 ZINC000093442745 193253027 /nfs/dbraw/zinc/25/30/27/193253027.db2.gz QCNHECPVSXIIJP-HNNXBMFYSA-N 0 3 315.369 2.676 20 10 DFCDHN C[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1cc(F)ccc1[O-] ZINC000273483369 130125840 /nfs/dbraw/zinc/12/58/40/130125840.db2.gz MSLBLAKTXYTKLD-QITLCBANSA-N 0 3 319.376 2.667 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1 ZINC000273510234 130130668 /nfs/dbraw/zinc/13/06/68/130130668.db2.gz RNCUDIZURILRAP-ZSZQSSIHSA-N 0 3 315.413 2.836 20 10 DFCDHN CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@]23CCCO3)c1[O-] ZINC000273561879 130137030 /nfs/dbraw/zinc/13/70/30/130137030.db2.gz FAUVUZXPPRAWNI-JFIYKMOQSA-N 0 3 321.417 2.607 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)CCc2cnccn2)c1[O-] ZINC000273726178 130159403 /nfs/dbraw/zinc/15/94/03/130159403.db2.gz JJHFLYIYZMFRMD-UHFFFAOYSA-N 0 3 307.781 2.519 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)CCc2cnccn2)c1[O-] ZINC000273726178 130159405 /nfs/dbraw/zinc/15/94/05/130159405.db2.gz JJHFLYIYZMFRMD-UHFFFAOYSA-N 0 3 307.781 2.519 20 10 DFCDHN [O-]c1ccccc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000274973126 130279389 /nfs/dbraw/zinc/27/93/89/130279389.db2.gz WKBPQSKTPURSTF-UHFFFAOYSA-N 0 3 312.417 2.700 20 10 DFCDHN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000275500662 130327821 /nfs/dbraw/zinc/32/78/21/130327821.db2.gz JPFKDTPEMBRAOW-RDJZCZTQSA-N 0 3 315.417 2.845 20 10 DFCDHN CN(C)c1ccc(CN[C@H](CO)Cc2ccccc2)cc1F ZINC000275621697 130350979 /nfs/dbraw/zinc/35/09/79/130350979.db2.gz OSKGEZVNSPMTOS-INIZCTEOSA-N 0 3 302.393 2.585 20 10 DFCDHN Cc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)c([O-])c1O ZINC000275933209 130412201 /nfs/dbraw/zinc/41/22/01/130412201.db2.gz WAYRHXCVDVRBJX-UHFFFAOYSA-N 0 3 314.385 2.763 20 10 DFCDHN CCOc1cccc(CN2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000280506421 130804429 /nfs/dbraw/zinc/80/44/29/130804429.db2.gz PZJXLFHYURFXQS-AWEZNQCLSA-N 0 3 321.417 2.561 20 10 DFCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000283143217 130963952 /nfs/dbraw/zinc/96/39/52/130963952.db2.gz WZFYFFQIAZDTGH-GFCCVEGCSA-N 0 3 324.421 2.746 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c([O-])c1C ZINC000284368503 131074172 /nfs/dbraw/zinc/07/41/72/131074172.db2.gz ODIPSDXSQLJKFU-SQWLQELKSA-N 0 3 309.450 2.818 20 10 DFCDHN Cc1ccc(O)c(CN[C@@H](c2nccn2C)C2CCOCC2)c1 ZINC000284652165 131100991 /nfs/dbraw/zinc/10/09/91/131100991.db2.gz GFFJFRXQGWGLFT-QGZVFWFLSA-N 0 3 315.417 2.692 20 10 DFCDHN CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000284983172 131127998 /nfs/dbraw/zinc/12/79/98/131127998.db2.gz GELKFADOUVHYKC-HOCLYGCPSA-N 0 3 304.434 2.918 20 10 DFCDHN CCOCc1cc(CNCCC(C)(C)C(=O)OC)ccc1OC ZINC000285355474 131160814 /nfs/dbraw/zinc/16/08/14/131160814.db2.gz BFGXQNCSRZSOAC-UHFFFAOYSA-N 0 3 323.433 2.911 20 10 DFCDHN CC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000287251422 131271203 /nfs/dbraw/zinc/27/12/03/131271203.db2.gz ZLAZETMNPOJKFX-UKRRQHHQSA-N 0 3 311.447 2.566 20 10 DFCDHN COc1cccc(CN(CCN(C)C)Cc2ccc(C)o2)c1O ZINC000289445732 131387328 /nfs/dbraw/zinc/38/73/28/131387328.db2.gz MNBLMRDIAHMCLV-UHFFFAOYSA-N 0 3 318.417 2.866 20 10 DFCDHN CCC[C@H](C)C(=O)NCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000293754144 131766039 /nfs/dbraw/zinc/76/60/39/131766039.db2.gz QQBWSURCROVUAY-GJZGRUSLSA-N 0 3 305.466 2.956 20 10 DFCDHN C[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccccc1[O-] ZINC000297239595 132005241 /nfs/dbraw/zinc/00/52/41/132005241.db2.gz IKPXEONRRUCIER-YYWXWVFPSA-N 0 3 318.417 2.908 20 10 DFCDHN Nc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000297260753 132006137 /nfs/dbraw/zinc/00/61/37/132006137.db2.gz RPGKYLVQFPFYLE-UHFFFAOYSA-N 0 3 323.440 2.797 20 10 DFCDHN C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccccc2[O-])CCO1 ZINC000298580380 132069557 /nfs/dbraw/zinc/06/95/57/132069557.db2.gz XSBKSXLSUBVKAI-HNNXBMFYSA-N 0 3 312.413 2.907 20 10 DFCDHN CCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000170900710 426157799 /nfs/dbraw/zinc/15/77/99/426157799.db2.gz CVWXGGCDRVDXFC-UHFFFAOYSA-N 0 3 303.450 2.585 20 10 DFCDHN Cc1ccc(O)c(CNC(C)(C)C(=O)NCC2CCCC2)c1 ZINC000136042545 426233727 /nfs/dbraw/zinc/23/37/27/426233727.db2.gz RIKJTNDXDHMKCF-UHFFFAOYSA-N 0 3 304.434 2.875 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c1 ZINC000136042545 426233731 /nfs/dbraw/zinc/23/37/31/426233731.db2.gz RIKJTNDXDHMKCF-UHFFFAOYSA-N 0 3 304.434 2.875 20 10 DFCDHN CCOc1cccc(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)c1[O-] ZINC000174443314 426257805 /nfs/dbraw/zinc/25/78/05/426257805.db2.gz HRBZYXJHNQOLHE-SFHVURJKSA-N 0 3 319.401 2.998 20 10 DFCDHN CC[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1[O-] ZINC000121106242 426321977 /nfs/dbraw/zinc/32/19/77/426321977.db2.gz VFFIGCZWVHNADD-KRWDZBQOSA-N 0 3 312.413 2.792 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089125833 426280514 /nfs/dbraw/zinc/28/05/14/426280514.db2.gz JDCVSHPLUADGQW-RBUKOAKNSA-N 0 3 313.397 2.925 20 10 DFCDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089125833 426280517 /nfs/dbraw/zinc/28/05/17/426280517.db2.gz JDCVSHPLUADGQW-RBUKOAKNSA-N 0 3 313.397 2.925 20 10 DFCDHN CCN(CC)c1ccc(CN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000122764163 426393859 /nfs/dbraw/zinc/39/38/59/426393859.db2.gz WDGURJFPLFSRTJ-KRWDZBQOSA-N 0 3 303.450 2.585 20 10 DFCDHN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000155313349 426468323 /nfs/dbraw/zinc/46/83/23/426468323.db2.gz CRGVHCUKJXRJHK-CABCVRRESA-N 0 3 314.433 2.669 20 10 DFCDHN COc1cccc(CNC(=O)[C@H](C(C)C)N2CCCCC2)c1O ZINC000155392707 426471271 /nfs/dbraw/zinc/47/12/71/426471271.db2.gz AUJZYPSSEJMUJC-INIZCTEOSA-N 0 3 320.433 2.528 20 10 DFCDHN [O-]c1cc2c(cc1C[NH+]1CCC(C3CCOCC3)CC1)OCO2 ZINC000155489944 426473067 /nfs/dbraw/zinc/47/30/67/426473067.db2.gz HSYFDGJDHGNFCQ-UHFFFAOYSA-N 0 3 319.401 2.760 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1C ZINC000101904771 426486990 /nfs/dbraw/zinc/48/69/90/426486990.db2.gz MMOUFUFKDJMNPD-MRXNPFEDSA-N 0 3 318.461 2.993 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1C ZINC000101904771 426486991 /nfs/dbraw/zinc/48/69/91/426486991.db2.gz MMOUFUFKDJMNPD-MRXNPFEDSA-N 0 3 318.461 2.993 20 10 DFCDHN C[C@H](O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000280151419 426507693 /nfs/dbraw/zinc/50/76/93/426507693.db2.gz FHGPOSMFRVFENO-NWDGAFQWSA-N 0 3 316.367 2.974 20 10 DFCDHN CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000280239266 426528102 /nfs/dbraw/zinc/52/81/02/426528102.db2.gz VXXRYJLHURXQBR-CQSZACIVSA-N 0 3 311.447 2.566 20 10 DFCDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C12CCOCC2 ZINC000186455957 426531147 /nfs/dbraw/zinc/53/11/47/426531147.db2.gz NEVXNQJZOWDNPL-JKSUJKDBSA-N 0 3 309.381 2.595 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)c1 ZINC000186171392 426490796 /nfs/dbraw/zinc/49/07/96/426490796.db2.gz PFVOJQHPSMXQLV-KBPBESRZSA-N 0 3 313.401 2.725 20 10 DFCDHN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186223864 426495163 /nfs/dbraw/zinc/49/51/63/426495163.db2.gz DQCVVQFAJILMLF-LBPRGKRZSA-N 0 3 304.434 2.694 20 10 DFCDHN Cc1ccc(O)c([C@@H](C)NCC(=O)NCCc2ccccc2)c1 ZINC000186307368 426501769 /nfs/dbraw/zinc/50/17/69/426501769.db2.gz WEZVMDUNJWBZCO-OAHLLOKOSA-N 0 3 312.413 2.710 20 10 DFCDHN CC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280042304 426502286 /nfs/dbraw/zinc/50/22/86/426502286.db2.gz IYNWRYDCPYYQNZ-HNNXBMFYSA-N 0 3 313.463 2.956 20 10 DFCDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280075778 426503966 /nfs/dbraw/zinc/50/39/66/426503966.db2.gz LKJGTTLTCUJDAU-WBVHZDCISA-N 0 3 306.450 2.710 20 10 DFCDHN CCOc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000280411663 426570549 /nfs/dbraw/zinc/57/05/49/426570549.db2.gz HYRZHUSCEQYYPE-IYOUNJFTSA-N 0 3 321.417 2.559 20 10 DFCDHN C[C@@H](C[S@@](C)=O)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280444467 426577280 /nfs/dbraw/zinc/57/72/80/426577280.db2.gz YKECCDWWBFJDOC-CHNSCGDPSA-N 0 3 322.396 2.628 20 10 DFCDHN C[C@@H](NCCNC(=O)C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000178214536 426588899 /nfs/dbraw/zinc/58/88/99/426588899.db2.gz OFRGXFXRARDUJL-OAHLLOKOSA-N 0 3 315.461 2.854 20 10 DFCDHN CCN(CC)CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273444783 426665443 /nfs/dbraw/zinc/66/54/43/426665443.db2.gz ZRSMSIWUHHKJOL-ZDUSSCGKSA-N 0 3 308.422 2.561 20 10 DFCDHN CC[NH+](CC)CCCN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273444783 426665447 /nfs/dbraw/zinc/66/54/47/426665447.db2.gz ZRSMSIWUHHKJOL-ZDUSSCGKSA-N 0 3 308.422 2.561 20 10 DFCDHN Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289659085 426670674 /nfs/dbraw/zinc/67/06/74/426670674.db2.gz NDTCHYLCEOEOEV-STQMWFEESA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289659085 426670677 /nfs/dbraw/zinc/67/06/77/426670677.db2.gz NDTCHYLCEOEOEV-STQMWFEESA-N 0 3 303.324 2.693 20 10 DFCDHN Cc1cccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1O ZINC000289659085 426670681 /nfs/dbraw/zinc/67/06/81/426670681.db2.gz NDTCHYLCEOEOEV-STQMWFEESA-N 0 3 303.324 2.693 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1ccc(C)cc1[O-] ZINC000280888443 426678341 /nfs/dbraw/zinc/67/83/41/426678341.db2.gz DZWUUWCMEBAAPA-WBVHZDCISA-N 0 3 304.434 3.000 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000290161403 426706881 /nfs/dbraw/zinc/70/68/81/426706881.db2.gz LXKQEWJLMLORBZ-XIKOKIGWSA-N 0 3 317.385 2.621 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC000179372835 426782618 /nfs/dbraw/zinc/78/26/18/426782618.db2.gz SBBDBXXQSCHJEA-OAHLLOKOSA-N 0 3 321.417 2.766 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC000179372835 426782625 /nfs/dbraw/zinc/78/26/25/426782625.db2.gz SBBDBXXQSCHJEA-OAHLLOKOSA-N 0 3 321.417 2.766 20 10 DFCDHN COc1ccc(CN[C@H](C)c2cc(C)ccc2O)c(OC)n1 ZINC000290280719 426731716 /nfs/dbraw/zinc/73/17/16/426731716.db2.gz XDYZTVKSBHHVOO-GFCCVEGCSA-N 0 3 302.374 2.964 20 10 DFCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179566345 426802560 /nfs/dbraw/zinc/80/25/60/426802560.db2.gz NLZILSDNSNUWEY-GOEBONIOSA-N 0 3 304.434 2.909 20 10 DFCDHN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179566345 426802563 /nfs/dbraw/zinc/80/25/63/426802563.db2.gz NLZILSDNSNUWEY-GOEBONIOSA-N 0 3 304.434 2.909 20 10 DFCDHN CC(C)COC(=O)N1CCCN(Cc2ccccc2O)CC1 ZINC000179566544 426803303 /nfs/dbraw/zinc/80/33/03/426803303.db2.gz RTZTZRBHNCCGPM-UHFFFAOYSA-N 0 3 306.406 2.693 20 10 DFCDHN C[C@@H](c1ccccc1)[N@H+](CCOCCO)Cc1ccccc1[O-] ZINC000179643924 426809837 /nfs/dbraw/zinc/80/98/37/426809837.db2.gz XFGAMDVUAYZQGD-INIZCTEOSA-N 0 3 315.413 2.964 20 10 DFCDHN C[C@@H](c1ccccc1)[N@@H+](CCOCCO)Cc1ccccc1[O-] ZINC000179643924 426809840 /nfs/dbraw/zinc/80/98/40/426809840.db2.gz XFGAMDVUAYZQGD-INIZCTEOSA-N 0 3 315.413 2.964 20 10 DFCDHN CCCCNC(=O)C1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000179699302 426812371 /nfs/dbraw/zinc/81/23/71/426812371.db2.gz GTOGYDMPEHYZFC-UHFFFAOYSA-N 0 3 320.433 2.529 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000179803196 426819833 /nfs/dbraw/zinc/81/98/33/426819833.db2.gz IVFNUHWBCYTFRG-MRXNPFEDSA-N 0 3 324.852 2.651 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000179803196 426819836 /nfs/dbraw/zinc/81/98/36/426819836.db2.gz IVFNUHWBCYTFRG-MRXNPFEDSA-N 0 3 324.852 2.651 20 10 DFCDHN COCC[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000282145225 426840589 /nfs/dbraw/zinc/84/05/89/426840589.db2.gz HIILPRMRLQMIBC-QGZVFWFLSA-N 0 3 301.386 2.546 20 10 DFCDHN CCN(C)c1ccc([C@H](C)NCc2cnn(CCOC)c2)cc1 ZINC000282475219 426916394 /nfs/dbraw/zinc/91/63/94/426916394.db2.gz GUYONSBBPUQDPX-HNNXBMFYSA-N 0 3 316.449 2.836 20 10 DFCDHN CC[C@@H](C[NH2+]Cc1cc(Br)cc(C)c1[O-])OC ZINC000290939393 426871438 /nfs/dbraw/zinc/87/14/38/426871438.db2.gz PTRORLPQIDPQSX-LBPRGKRZSA-N 0 3 302.212 2.978 20 10 DFCDHN C[C@@H](NC1CC1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000295230254 426871594 /nfs/dbraw/zinc/87/15/94/426871594.db2.gz RVHRUJGUNJWSPV-OAHLLOKOSA-N 0 3 315.461 2.680 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000290970857 426873789 /nfs/dbraw/zinc/87/37/89/426873789.db2.gz SMDGKGDNKHXMAT-OAHLLOKOSA-N 0 3 313.825 2.941 20 10 DFCDHN COC[C@H]1CCN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295256920 426880110 /nfs/dbraw/zinc/88/01/10/426880110.db2.gz XNORLLDYHYMNGS-QGZVFWFLSA-N 0 3 304.434 2.523 20 10 DFCDHN COc1cccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000291178371 426881623 /nfs/dbraw/zinc/88/16/23/426881623.db2.gz FKMPFPXEWGTJEB-IBGZPJMESA-N 0 3 313.397 2.537 20 10 DFCDHN COc1cccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1[O-] ZINC000291178371 426881634 /nfs/dbraw/zinc/88/16/34/426881634.db2.gz FKMPFPXEWGTJEB-IBGZPJMESA-N 0 3 313.397 2.537 20 10 DFCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283323314 426996846 /nfs/dbraw/zinc/99/68/46/426996846.db2.gz ZUQBAGZSZJDYNA-MRXNPFEDSA-N 0 3 324.424 2.986 20 10 DFCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283323314 426996850 /nfs/dbraw/zinc/99/68/50/426996850.db2.gz ZUQBAGZSZJDYNA-MRXNPFEDSA-N 0 3 324.424 2.986 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)c([O-])c1C ZINC000283446629 427014424 /nfs/dbraw/zinc/01/44/24/427014424.db2.gz UIBXXDPSXOWHFO-UKRRQHHQSA-N 0 3 302.418 2.861 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)c([O-])c1C ZINC000283446634 427015462 /nfs/dbraw/zinc/01/54/62/427015462.db2.gz UIBXXDPSXOWHFO-ZFWWWQNUSA-N 0 3 302.418 2.861 20 10 DFCDHN CN(CCC[NH2+][C@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000295950018 427024778 /nfs/dbraw/zinc/02/47/78/427024778.db2.gz LINPCAHHZQBDJH-LBPRGKRZSA-N 0 3 302.340 2.853 20 10 DFCDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1ccc(Cn3cncn3)cc1)CC2 ZINC000296028863 427049508 /nfs/dbraw/zinc/04/95/08/427049508.db2.gz PZYNRHXJBKVIGT-QGZVFWFLSA-N 0 3 320.396 2.809 20 10 DFCDHN C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000268822680 427127422 /nfs/dbraw/zinc/12/74/22/427127422.db2.gz KIDROCMUIFVELM-WBVHZDCISA-N 0 3 315.461 2.948 20 10 DFCDHN CO[C@H](C)[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000268837698 427135342 /nfs/dbraw/zinc/13/53/42/427135342.db2.gz HBXOQFAGQATOQC-APIJFGDWSA-N 0 3 324.440 2.952 20 10 DFCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277238669 427141948 /nfs/dbraw/zinc/14/19/48/427141948.db2.gz ZPNVAEQQKISAIW-AWEZNQCLSA-N 0 3 312.417 2.810 20 10 DFCDHN C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1[NH+](C)C ZINC000251894236 427168021 /nfs/dbraw/zinc/16/80/21/427168021.db2.gz VVDGYYWAAPXXBT-GXFFZTMASA-N 0 3 313.239 2.537 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN3CCCC[C@H]23)c1[O-] ZINC000252866433 427196986 /nfs/dbraw/zinc/19/69/86/427196986.db2.gz RAQIGRAVDJRHKH-UONOGXRCSA-N 0 3 310.825 2.771 20 10 DFCDHN C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000183394016 427261765 /nfs/dbraw/zinc/26/17/65/427261765.db2.gz XMQIHJGFDMYIFM-ZNMIVQPWSA-N 0 3 306.450 2.931 20 10 DFCDHN C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000183520556 427287462 /nfs/dbraw/zinc/28/74/62/427287462.db2.gz ACKXBULIIKUDEY-GJZGRUSLSA-N 0 3 304.434 2.544 20 10 DFCDHN Cc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1[O-] ZINC000293519643 427350745 /nfs/dbraw/zinc/35/07/45/427350745.db2.gz AWWHMTOKLGTEFY-UHFFFAOYSA-N 0 3 312.413 2.827 20 10 DFCDHN CCCN(CCC)c1ccc(CN[C@@]2(CO)CCOC2)cc1 ZINC000184183667 427411849 /nfs/dbraw/zinc/41/18/49/427411849.db2.gz JZBYFZTVDWRVDY-GOSISDBHSA-N 0 3 306.450 2.554 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1F ZINC000271139348 427412336 /nfs/dbraw/zinc/41/23/36/427412336.db2.gz WDWCAYKASHLXNT-AWEZNQCLSA-N 0 3 302.397 2.994 20 10 DFCDHN CN(C)c1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1F ZINC000271139349 427412391 /nfs/dbraw/zinc/41/23/91/427412391.db2.gz WDWCAYKASHLXNT-CQSZACIVSA-N 0 3 302.397 2.994 20 10 DFCDHN CCOc1ccc([O-])c(C[NH+]2CCC(C3(C)OCCO3)CC2)c1 ZINC000271158890 427424651 /nfs/dbraw/zinc/42/46/51/427424651.db2.gz FAWRUNLYAZILTR-UHFFFAOYSA-N 0 3 321.417 2.766 20 10 DFCDHN COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000184698488 427522367 /nfs/dbraw/zinc/52/23/67/427522367.db2.gz IYDYHHQKHGMCBL-FZMZJTMJSA-N 0 3 312.841 2.969 20 10 DFCDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000184698488 427522375 /nfs/dbraw/zinc/52/23/75/427522375.db2.gz IYDYHHQKHGMCBL-FZMZJTMJSA-N 0 3 312.841 2.969 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)c([O-])c1 ZINC000184914618 427564059 /nfs/dbraw/zinc/56/40/59/427564059.db2.gz XLOCIGAAGLWLGC-BZUAXINKSA-N 0 3 306.450 2.851 20 10 DFCDHN C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000184914826 427565125 /nfs/dbraw/zinc/56/51/25/427565125.db2.gz YNOCBCYZKBODHU-MCIONIFRSA-N 0 3 310.413 2.681 20 10 DFCDHN C[C@H]([NH2+]CCn1cc(Br)cn1)c1ccccc1[O-] ZINC000271685389 427580349 /nfs/dbraw/zinc/58/03/49/427580349.db2.gz QFJRBGUVIDYICU-JTQLQIEISA-N 0 3 310.195 2.702 20 10 DFCDHN Cc1cc(Br)cc(CN2CCC(CO)CC2)c1O ZINC000271711992 427583452 /nfs/dbraw/zinc/58/34/52/427583452.db2.gz BCDZBWFBVDIWPE-UHFFFAOYSA-N 0 3 314.223 2.667 20 10 DFCDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1OC ZINC000271765125 427585138 /nfs/dbraw/zinc/58/51/38/427585138.db2.gz AHCDVGBJJUOMNL-UKRRQHHQSA-N 0 3 309.406 2.703 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)[C@H](C)O)c1[O-] ZINC000271866081 427591053 /nfs/dbraw/zinc/59/10/53/427591053.db2.gz WGCXPZAYJBDWFE-VIFPVBQESA-N 0 3 302.212 2.712 20 10 DFCDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000185114810 427596620 /nfs/dbraw/zinc/59/66/20/427596620.db2.gz JIZIAVXNAGRYTL-GXTWGEPZSA-N 0 3 312.841 2.543 20 10 DFCDHN Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185130080 427600171 /nfs/dbraw/zinc/60/01/71/427600171.db2.gz RURUMGGFNBJRAJ-HIFRSBDPSA-N 0 3 319.376 2.930 20 10 DFCDHN COCCCN1CCC([NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000185314434 427634237 /nfs/dbraw/zinc/63/42/37/427634237.db2.gz SAPIQUPLBJILNZ-CQSZACIVSA-N 0 3 322.449 2.552 20 10 DFCDHN Cc1cccc(C[NH2+]CCc2cnc3c(Cl)cnn3c2)c1[O-] ZINC000294677550 427649411 /nfs/dbraw/zinc/64/94/11/427649411.db2.gz AXFXBMOHMXPXIM-UHFFFAOYSA-N 0 3 316.792 2.729 20 10 DFCDHN Cc1ccc(O)c(CN(Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000294810221 427661466 /nfs/dbraw/zinc/66/14/66/427661466.db2.gz NSPYLZFQNUETMV-UHFFFAOYSA-N 0 3 310.397 2.964 20 10 DFCDHN CN(C)C(=O)C1(NCc2ccc3c(c2)CCO3)CCCCC1 ZINC000295032723 427670159 /nfs/dbraw/zinc/67/01/59/427670159.db2.gz OASTWRAHWNEKQZ-UHFFFAOYSA-N 0 3 302.418 2.502 20 10 DFCDHN COc1ccc(O)c(CN2CCC[C@@H](CC(=O)OC(C)C)C2)c1 ZINC000185581697 427674889 /nfs/dbraw/zinc/67/48/89/427674889.db2.gz UJBJBMPQJLWXBO-AWEZNQCLSA-N 0 3 321.417 2.955 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]C2(CC(=O)OC)CCCC2)c1 ZINC000279632110 427715924 /nfs/dbraw/zinc/71/59/24/427715924.db2.gz IBPWNMYPLBUZOA-UHFFFAOYSA-N 0 3 307.390 2.756 20 10 DFCDHN CC[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)N(C)C ZINC000298921894 427729615 /nfs/dbraw/zinc/72/96/15/427729615.db2.gz OUVMOVIARXHIMP-QGZVFWFLSA-N 0 3 305.466 2.830 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc2c(cc1[O-])CCCC2 ZINC000185994150 427740383 /nfs/dbraw/zinc/74/03/83/427740383.db2.gz HAGDACWQMRWJPI-IUODEOHRSA-N 0 3 312.417 2.528 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(F)ccc1[O-] ZINC000186051583 427744081 /nfs/dbraw/zinc/74/40/81/427744081.db2.gz ZFLCEOAYXHCKMJ-OCCSQVGLSA-N 0 3 316.380 2.641 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCOC2CCOCC2)c1 ZINC000186074258 427744975 /nfs/dbraw/zinc/74/49/75/427744975.db2.gz QSFJVVJKKNICBN-ZDUSSCGKSA-N 0 3 309.406 2.637 20 10 DFCDHN Cc1c2ccccc2n(C)c1CNCc1c[nH]c2nccnc12 ZINC000356381833 428152568 /nfs/dbraw/zinc/15/25/68/428152568.db2.gz BFYBYMCFOYWDCV-UHFFFAOYSA-N 0 3 305.385 2.999 20 10 DFCDHN CC[C@@H](c1ccccc1O)N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000370223765 428163084 /nfs/dbraw/zinc/16/30/84/428163084.db2.gz DZSHOUUPSJTXQY-WMZOPIPTSA-N 0 3 315.417 2.824 20 10 DFCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCN(C(=O)Cc3ccccc3)C2)c1 ZINC000370259841 428170568 /nfs/dbraw/zinc/17/05/68/428170568.db2.gz DXVIGBKMRFXHRY-SFHVURJKSA-N 0 3 324.424 2.634 20 10 DFCDHN CC(C)[C@@H](C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1)N(C)C ZINC000370650810 428264247 /nfs/dbraw/zinc/26/42/47/428264247.db2.gz NICFKMYRNWGSGO-SFHVURJKSA-N 0 3 315.461 2.564 20 10 DFCDHN C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1N1CCOCC1)c1ccccc1[O-] ZINC000371681558 428400969 /nfs/dbraw/zinc/40/09/69/428400969.db2.gz ROQGURLERIANNP-ZOBUZTSGSA-N 0 3 304.434 2.544 20 10 DFCDHN COc1ccc2c(c1)[C@@](O)(C[NH2+]Cc1ccccc1[O-])CCC2 ZINC000371357074 428386407 /nfs/dbraw/zinc/38/64/07/428386407.db2.gz FXLNYSRROHVBGP-IBGZPJMESA-N 0 3 313.397 2.715 20 10 DFCDHN CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000371381294 428386834 /nfs/dbraw/zinc/38/68/34/428386834.db2.gz DGOUHSTVMWGXKS-AWEZNQCLSA-N 0 3 300.406 2.692 20 10 DFCDHN CCn1cnnc1[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000371381294 428386836 /nfs/dbraw/zinc/38/68/36/428386836.db2.gz DGOUHSTVMWGXKS-AWEZNQCLSA-N 0 3 300.406 2.692 20 10 DFCDHN CN(C)c1ccc(CN2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000372417781 428446942 /nfs/dbraw/zinc/44/69/42/428446942.db2.gz XTXPUZIAMJWPAH-SFHVURJKSA-N 0 3 315.461 2.730 20 10 DFCDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000373227917 428523892 /nfs/dbraw/zinc/52/38/92/428523892.db2.gz KXHJOESJYLTJNU-AWEZNQCLSA-N 0 3 315.417 2.904 20 10 DFCDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000373227917 428523896 /nfs/dbraw/zinc/52/38/96/428523896.db2.gz KXHJOESJYLTJNU-AWEZNQCLSA-N 0 3 315.417 2.904 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2[O-])n1 ZINC000361052166 428532047 /nfs/dbraw/zinc/53/20/47/428532047.db2.gz MAZCRLPZJBCQEN-INIZCTEOSA-N 0 3 300.406 2.655 20 10 DFCDHN Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2Cc2ccccc2[O-])n1 ZINC000361052166 428532053 /nfs/dbraw/zinc/53/20/53/428532053.db2.gz MAZCRLPZJBCQEN-INIZCTEOSA-N 0 3 300.406 2.655 20 10 DFCDHN CC[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000373477849 428588360 /nfs/dbraw/zinc/58/83/60/428588360.db2.gz CCFXCEKDXDTVJH-ZWKOTPCHSA-N 0 3 304.434 2.523 20 10 DFCDHN Cc1cccc(C[N@@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000373605567 428619132 /nfs/dbraw/zinc/61/91/32/428619132.db2.gz YTHHVLHKGDZTGX-SFHVURJKSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1cccc(C[N@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000373605567 428619136 /nfs/dbraw/zinc/61/91/36/428619136.db2.gz YTHHVLHKGDZTGX-SFHVURJKSA-N 0 3 305.418 2.861 20 10 DFCDHN Cc1cccc(CN2CC(C)(C)O[C@@]3(CCCOC3)C2)c1O ZINC000373605567 428619139 /nfs/dbraw/zinc/61/91/39/428619139.db2.gz YTHHVLHKGDZTGX-SFHVURJKSA-N 0 3 305.418 2.861 20 10 DFCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000373813652 428650595 /nfs/dbraw/zinc/65/05/95/428650595.db2.gz WODCRUVGRRXTHZ-FZKQIMNGSA-N 0 3 301.361 2.917 20 10 DFCDHN COc1ccc(O)c(CN2CCCN(c3nccs3)CC2)c1 ZINC000179849648 274114537 /nfs/dbraw/zinc/11/45/37/274114537.db2.gz KOBBJUVFCPUFAS-UHFFFAOYSA-N 0 3 319.430 2.570 20 10 DFCDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000373738115 428644911 /nfs/dbraw/zinc/64/49/11/428644911.db2.gz NFPBDAFAUPERTA-YEWWUXTCSA-N 0 3 310.397 2.631 20 10 DFCDHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000373738115 428644919 /nfs/dbraw/zinc/64/49/19/428644919.db2.gz NFPBDAFAUPERTA-YEWWUXTCSA-N 0 3 310.397 2.631 20 10 DFCDHN Cc1ccc([O-])c(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c1 ZINC000362351902 428715122 /nfs/dbraw/zinc/71/51/22/428715122.db2.gz LBLGHONGPWKWRE-UHFFFAOYSA-N 0 3 312.417 2.618 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1ccccc1[O-] ZINC000374673769 428728706 /nfs/dbraw/zinc/72/87/06/428728706.db2.gz AYJDIHOAJNJKJR-NBOOPKSLSA-N 0 3 318.461 2.932 20 10 DFCDHN C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2c([O-])ccc3ccccc32)CC1=O ZINC000363416109 428910480 /nfs/dbraw/zinc/91/04/80/428910480.db2.gz YUXQAOXKLXTYFY-SUYBPPKGSA-N 0 3 310.397 2.644 20 10 DFCDHN O=C1C[C@@H](NCc2ccc3c(c2)CCO3)CN1Cc1ccccc1 ZINC000363086298 428854936 /nfs/dbraw/zinc/85/49/36/428854936.db2.gz TYJKLGQVALMKDH-GOSISDBHSA-N 0 3 322.408 2.512 20 10 DFCDHN C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(F)ccc1[O-] ZINC000363863130 429000041 /nfs/dbraw/zinc/00/00/41/429000041.db2.gz JZWRYUJSIVGAJV-GFCCVEGCSA-N 0 3 301.361 2.712 20 10 DFCDHN CCCOc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c([O-])c1 ZINC000363935476 429144223 /nfs/dbraw/zinc/14/42/23/429144223.db2.gz BGTRVLKDJFFYEI-AWEZNQCLSA-N 0 3 301.390 2.551 20 10 DFCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)c1 ZINC000376520422 429128472 /nfs/dbraw/zinc/12/84/72/429128472.db2.gz KMXSTEVSEQIWNQ-CJNGLKHVSA-N 0 3 315.417 2.618 20 10 DFCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCCc3c2cnn3CCO)c1 ZINC000376520422 429128477 /nfs/dbraw/zinc/12/84/77/429128477.db2.gz KMXSTEVSEQIWNQ-CJNGLKHVSA-N 0 3 315.417 2.618 20 10 DFCDHN Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)c([O-])c1C ZINC000363866629 429130878 /nfs/dbraw/zinc/13/08/78/429130878.db2.gz INBLCXSQXROICB-CQSZACIVSA-N 0 3 323.400 2.836 20 10 DFCDHN Cc1cccn2c(CNCc3ccc4c(c3)CCN4C)cnc12 ZINC000364450446 429205781 /nfs/dbraw/zinc/20/57/81/429205781.db2.gz SZBYFGSMBXYABV-UHFFFAOYSA-N 0 3 306.413 2.925 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000364624849 429237119 /nfs/dbraw/zinc/23/71/19/429237119.db2.gz UZPRZKDAWPMQMK-UONOGXRCSA-N 0 3 301.390 2.995 20 10 DFCDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000364624849 429237124 /nfs/dbraw/zinc/23/71/24/429237124.db2.gz UZPRZKDAWPMQMK-UONOGXRCSA-N 0 3 301.390 2.995 20 10 DFCDHN CCOc1cccc(C[N@H+](C)C[C@H]2CCc3nccn3C2)c1[O-] ZINC000364668518 429245395 /nfs/dbraw/zinc/24/53/95/429245395.db2.gz AXRPHVDDSLCXIP-CQSZACIVSA-N 0 3 315.417 2.682 20 10 DFCDHN CCOc1cccc(C[N@@H+](C)C[C@H]2CCc3nccn3C2)c1[O-] ZINC000364668518 429245397 /nfs/dbraw/zinc/24/53/97/429245397.db2.gz AXRPHVDDSLCXIP-CQSZACIVSA-N 0 3 315.417 2.682 20 10 DFCDHN COc1ccc([O-])c(C[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365256887 429289221 /nfs/dbraw/zinc/28/92/21/429289221.db2.gz PNIVACQOEKCDJF-LIRRHRJNSA-N 0 3 313.397 2.786 20 10 DFCDHN COc1ccc(O)c(CN[C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365256887 429289225 /nfs/dbraw/zinc/28/92/25/429289225.db2.gz PNIVACQOEKCDJF-LIRRHRJNSA-N 0 3 313.397 2.786 20 10 DFCDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000366530792 429470821 /nfs/dbraw/zinc/47/08/21/429470821.db2.gz QAIWLYUCRCJYHZ-DZGCQCFKSA-N 0 3 318.417 2.833 20 10 DFCDHN CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000366530792 429470823 /nfs/dbraw/zinc/47/08/23/429470823.db2.gz QAIWLYUCRCJYHZ-DZGCQCFKSA-N 0 3 318.417 2.833 20 10 DFCDHN C[C@@H]([NH2+][C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccccc1[O-] ZINC000367039832 429564028 /nfs/dbraw/zinc/56/40/28/429564028.db2.gz AUIJWWMBFHMBKP-WBVHZDCISA-N 0 3 324.424 2.886 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000367308716 429616353 /nfs/dbraw/zinc/61/63/53/429616353.db2.gz QSJIKNSYCSVCEJ-CVEARBPZSA-N 0 3 314.433 2.945 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000367308716 429616359 /nfs/dbraw/zinc/61/63/59/429616359.db2.gz QSJIKNSYCSVCEJ-CVEARBPZSA-N 0 3 314.433 2.945 20 10 DFCDHN CC[C@H](c1ccccc1[O-])[NH+]1CCN(c2nccnc2C)CC1 ZINC000367322333 429621390 /nfs/dbraw/zinc/62/13/90/429621390.db2.gz PVEJXBUBHALYCA-MRXNPFEDSA-N 0 3 312.417 2.764 20 10 DFCDHN CCOc1ccc(O)c(CN(CCO)Cc2ccccc2)c1 ZINC000270980011 276375136 /nfs/dbraw/zinc/37/51/36/276375136.db2.gz CTGCRPMMZYERHT-UHFFFAOYSA-N 0 3 301.386 2.785 20 10 DFCDHN CN1C(=O)c2ccccc2[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000528004551 429835548 /nfs/dbraw/zinc/83/55/48/429835548.db2.gz RTCHSYKDSXZAPY-JKSUJKDBSA-N 0 3 308.381 2.796 20 10 DFCDHN COc1ccc(O)c([C@@H](C)N2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000368568452 429868093 /nfs/dbraw/zinc/86/80/93/429868093.db2.gz QQOWNSDTCZUFGV-ZIAGYGMSSA-N 0 3 321.417 2.732 20 10 DFCDHN CN1CCC[C@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC000368720118 429890195 /nfs/dbraw/zinc/89/01/95/429890195.db2.gz VKJQNPPQHPIXFG-HXUWFJFHSA-N 0 3 324.424 2.990 20 10 DFCDHN CN1CCC[C@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)C1=O ZINC000368720118 429890196 /nfs/dbraw/zinc/89/01/96/429890196.db2.gz VKJQNPPQHPIXFG-HXUWFJFHSA-N 0 3 324.424 2.990 20 10 DFCDHN CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000368823812 429896731 /nfs/dbraw/zinc/89/67/31/429896731.db2.gz JGRUVQWOLYSHDV-ZIAGYGMSSA-N 0 3 314.433 2.829 20 10 DFCDHN CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1[O-])CC2 ZINC000368823808 429896909 /nfs/dbraw/zinc/89/69/09/429896909.db2.gz JGRUVQWOLYSHDV-KGLIPLIRSA-N 0 3 314.433 2.829 20 10 DFCDHN [O-]c1ccccc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000369037620 429909084 /nfs/dbraw/zinc/90/90/84/429909084.db2.gz YEWJRYCERCCGNE-UHFFFAOYSA-N 0 3 301.365 2.639 20 10 DFCDHN [O-]c1ccccc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000369037620 429909086 /nfs/dbraw/zinc/90/90/86/429909086.db2.gz YEWJRYCERCCGNE-UHFFFAOYSA-N 0 3 301.365 2.639 20 10 DFCDHN C[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])COc2ccccc2O1 ZINC000529637173 430043473 /nfs/dbraw/zinc/04/34/73/430043473.db2.gz ORHTZUZWCAREOR-KRWDZBQOSA-N 0 3 303.333 2.851 20 10 DFCDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[O-] ZINC000286820132 277106011 /nfs/dbraw/zinc/10/60/11/277106011.db2.gz KIJBQRGQLLBCIA-YVEFUNNKSA-N 0 3 320.408 2.793 20 10 DFCDHN CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1[O-] ZINC000155155031 288050939 /nfs/dbraw/zinc/05/09/39/288050939.db2.gz KGGNSKZACCHLQE-HNNXBMFYSA-N 0 3 309.373 2.609 20 10 DFCDHN C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1[O-] ZINC000273481189 289940005 /nfs/dbraw/zinc/94/00/05/289940005.db2.gz MBAQNQVLMZUHPH-JCURWCKSSA-N 0 3 322.424 2.560 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c([O-])c1 ZINC000185492337 333209238 /nfs/dbraw/zinc/20/92/38/333209238.db2.gz DBJPXTAWJMIBRQ-HOTGVXAUSA-N 0 3 318.461 2.852 20 10 DFCDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H](C)C2)c([O-])c1 ZINC000188107641 333241557 /nfs/dbraw/zinc/24/15/57/333241557.db2.gz WYYRINXBJBNQFB-CZUORRHYSA-N 0 3 321.417 2.812 20 10 DFCDHN CCCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@H](C)C2)c([O-])c1 ZINC000188107641 333241558 /nfs/dbraw/zinc/24/15/58/333241558.db2.gz WYYRINXBJBNQFB-CZUORRHYSA-N 0 3 321.417 2.812 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCN(C3CC3)C[C@@H](C)C2)c1[O-] ZINC000295973837 335138958 /nfs/dbraw/zinc/13/89/58/335138958.db2.gz IXLYDMHTSKJNRO-AWEZNQCLSA-N 0 3 304.434 2.707 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCN(C3CC3)C[C@@H](C)C2)c1[O-] ZINC000295973837 335138959 /nfs/dbraw/zinc/13/89/59/335138959.db2.gz IXLYDMHTSKJNRO-AWEZNQCLSA-N 0 3 304.434 2.707 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)c1[O-] ZINC000295973839 335139043 /nfs/dbraw/zinc/13/90/43/335139043.db2.gz IXLYDMHTSKJNRO-CQSZACIVSA-N 0 3 304.434 2.707 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCN(C3CC3)C[C@H](C)C2)c1[O-] ZINC000295973839 335139044 /nfs/dbraw/zinc/13/90/44/335139044.db2.gz IXLYDMHTSKJNRO-CQSZACIVSA-N 0 3 304.434 2.707 20 10 DFCDHN Cc1nc([C@@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n[nH]1 ZINC000271384515 334022563 /nfs/dbraw/zinc/02/25/63/334022563.db2.gz RWHNTBKHLUBWBE-CQSZACIVSA-N 0 3 317.412 2.698 20 10 DFCDHN Cc1n[nH]c([C@@H]2CCCN(Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000271384515 334022565 /nfs/dbraw/zinc/02/25/65/334022565.db2.gz RWHNTBKHLUBWBE-CQSZACIVSA-N 0 3 317.412 2.698 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000272530930 334036729 /nfs/dbraw/zinc/03/67/29/334036729.db2.gz ZNDUWYFNAAHFTK-GFCCVEGCSA-N 0 3 316.380 2.906 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000272530930 334036730 /nfs/dbraw/zinc/03/67/30/334036730.db2.gz ZNDUWYFNAAHFTK-GFCCVEGCSA-N 0 3 316.380 2.906 20 10 DFCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000273467303 334047431 /nfs/dbraw/zinc/04/74/31/334047431.db2.gz FBWMRQUOPKFTLR-KKUMJFAQSA-N 0 3 304.434 2.998 20 10 DFCDHN CC[C@@H]([NH2+]C1CCN(C(=O)OC)CC1)c1ccc(C)cc1[O-] ZINC000280193840 334114847 /nfs/dbraw/zinc/11/48/47/334114847.db2.gz SMLZNICMWXIHRL-OAHLLOKOSA-N 0 3 306.406 2.972 20 10 DFCDHN COc1cc([O-])c(C[NH2+]CCc2scnc2C)cc1OC ZINC000295056880 334216336 /nfs/dbraw/zinc/21/63/36/334216336.db2.gz PYIVWKKHWFAMED-UHFFFAOYSA-N 0 3 308.403 2.507 20 10 DFCDHN CN(C)C(=O)C1(NCc2ccc(N(C)C)cc2)CCCCC1 ZINC000295117473 334218885 /nfs/dbraw/zinc/21/88/85/334218885.db2.gz WXIXWGPNGSGOTJ-UHFFFAOYSA-N 0 3 303.450 2.633 20 10 DFCDHN COCCOc1ncccc1CN[C@@H]1CCc2cccc(O)c21 ZINC000296092140 334229907 /nfs/dbraw/zinc/22/99/07/334229907.db2.gz TVDJFRJYLFNRHZ-OAHLLOKOSA-N 0 3 314.385 2.590 20 10 DFCDHN CCOC(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000192882448 336280046 /nfs/dbraw/zinc/28/00/46/336280046.db2.gz GJKYCAXKFWSIAX-LBPRGKRZSA-N 0 3 322.405 2.672 20 10 DFCDHN CN1CCc2cc(CN[C@H]3CN(C)Cc4ccccc43)ccc21 ZINC000372979258 336944058 /nfs/dbraw/zinc/94/40/58/336944058.db2.gz UCYCXMUUVTYKHV-IBGZPJMESA-N 0 3 307.441 2.955 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375406771 337010736 /nfs/dbraw/zinc/01/07/36/337010736.db2.gz VFENXEPYCRLXNG-LLVKDONJSA-N 0 3 303.337 2.781 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375406771 337010737 /nfs/dbraw/zinc/01/07/37/337010737.db2.gz VFENXEPYCRLXNG-LLVKDONJSA-N 0 3 303.337 2.781 20 10 DFCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1C ZINC000375420322 337010893 /nfs/dbraw/zinc/01/08/93/337010893.db2.gz SRPUBCJISWWCID-YQVWRLOYSA-N 0 3 319.445 2.761 20 10 DFCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1C ZINC000375420322 337010894 /nfs/dbraw/zinc/01/08/94/337010894.db2.gz SRPUBCJISWWCID-YQVWRLOYSA-N 0 3 319.445 2.761 20 10 DFCDHN CCc1nnc2n1C[C@H]([NH2+][C@H](CC)c1ccccc1[O-])CC2 ZINC000376317630 337031322 /nfs/dbraw/zinc/03/13/22/337031322.db2.gz ACQOHLIAXHIYFG-TZMCWYRMSA-N 0 3 300.406 2.602 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000377852436 337062599 /nfs/dbraw/zinc/06/25/99/337062599.db2.gz QGHRTHZQMNNLDC-HOCLYGCPSA-N 0 3 302.418 2.788 20 10 DFCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000377852436 337062600 /nfs/dbraw/zinc/06/26/00/337062600.db2.gz QGHRTHZQMNNLDC-HOCLYGCPSA-N 0 3 302.418 2.788 20 10 DFCDHN COCCC[N@@H+]1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000378349593 337070578 /nfs/dbraw/zinc/07/05/78/337070578.db2.gz KQBJGTUPJWBRAF-UHFFFAOYSA-N 0 3 312.841 2.590 20 10 DFCDHN COCCC[N@H+]1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000378349593 337070579 /nfs/dbraw/zinc/07/05/79/337070579.db2.gz KQBJGTUPJWBRAF-UHFFFAOYSA-N 0 3 312.841 2.590 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cc(C)ccc2[O-])n1 ZINC000378348536 337070699 /nfs/dbraw/zinc/07/06/99/337070699.db2.gz FLTRDCBGBLMMGN-QGZVFWFLSA-N 0 3 314.433 2.964 20 10 DFCDHN Cc1nc(C)n(C[C@H]2CCCC[N@H+]2Cc2cc(C)ccc2[O-])n1 ZINC000378348536 337070700 /nfs/dbraw/zinc/07/07/00/337070700.db2.gz FLTRDCBGBLMMGN-QGZVFWFLSA-N 0 3 314.433 2.964 20 10 DFCDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2cncn2)c1[O-] ZINC000378445537 337072911 /nfs/dbraw/zinc/07/29/11/337072911.db2.gz VBAHRQWEJYESRB-AWEZNQCLSA-N 0 3 306.797 2.610 20 10 DFCDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cn2cncn2)c1[O-] ZINC000378445537 337072912 /nfs/dbraw/zinc/07/29/12/337072912.db2.gz VBAHRQWEJYESRB-AWEZNQCLSA-N 0 3 306.797 2.610 20 10 DFCDHN Cn1cccc1[C@@H]1CCCN1Cc1cc2c(cc1O)OCO2 ZINC000179709085 337169263 /nfs/dbraw/zinc/16/92/63/337169263.db2.gz JRJJNRKAYVEKON-AWEZNQCLSA-N 0 3 300.358 2.797 20 10 DFCDHN [O-]c1ccccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000179583916 337170353 /nfs/dbraw/zinc/17/03/53/337170353.db2.gz IUNIDXBDGWAPJT-KRWDZBQOSA-N 0 3 305.418 2.942 20 10 DFCDHN O=C1C[C@@H]([NH2+]Cc2ccccc2[O-])CN1c1c(F)cccc1F ZINC000180222390 337175400 /nfs/dbraw/zinc/17/54/00/337175400.db2.gz LOVYSMOJVVSJEP-GFCCVEGCSA-N 0 3 318.323 2.566 20 10 DFCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000182090714 337184461 /nfs/dbraw/zinc/18/44/61/337184461.db2.gz QBEOPRJCTRQIMU-CQSZACIVSA-N 0 3 315.417 2.589 20 10 DFCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000182090714 337184462 /nfs/dbraw/zinc/18/44/62/337184462.db2.gz QBEOPRJCTRQIMU-CQSZACIVSA-N 0 3 315.417 2.589 20 10 DFCDHN COc1cc(Cl)cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1[O-] ZINC000184697704 337199813 /nfs/dbraw/zinc/19/98/13/337199813.db2.gz JEQMFMPPABASHY-CYBMUJFWSA-N 0 3 324.852 2.972 20 10 DFCDHN C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)ccc1[O-] ZINC000185553357 337249063 /nfs/dbraw/zinc/24/90/63/337249063.db2.gz TYFOKIBKFPOAKW-GXTWGEPZSA-N 0 3 318.396 2.584 20 10 DFCDHN CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])CC2 ZINC000185995769 337252511 /nfs/dbraw/zinc/25/25/11/337252511.db2.gz BWNJVFDQUKVJOE-CHWSQXEVSA-N 0 3 300.406 2.520 20 10 DFCDHN CCOc1cccc(C[N@@H+]2CCSC3(CCOCC3)C2)c1[O-] ZINC000186497819 337256587 /nfs/dbraw/zinc/25/65/87/337256587.db2.gz ILIRTVYEYBLELM-UHFFFAOYSA-N 0 3 323.458 2.889 20 10 DFCDHN CCOc1cccc(C[N@H+]2CCSC3(CCOCC3)C2)c1[O-] ZINC000186497819 337256588 /nfs/dbraw/zinc/25/65/88/337256588.db2.gz ILIRTVYEYBLELM-UHFFFAOYSA-N 0 3 323.458 2.889 20 10 DFCDHN CCOc1ccc([O-])c(C[NH2+]CCc2ccc(OC)nc2)c1 ZINC000527794020 337764400 /nfs/dbraw/zinc/76/44/00/337764400.db2.gz VNJRQFVNYUAZLD-UHFFFAOYSA-N 0 3 302.374 2.527 20 10 DFCDHN COc1ccc(O)c([C@@H](C)NCc2cccc3c2OCO3)c1 ZINC000194401316 338522524 /nfs/dbraw/zinc/52/25/24/338522524.db2.gz SEERZFHCDOWVKR-LLVKDONJSA-N 0 3 301.342 2.980 20 10 DFCDHN CS[C@H](CO)[C@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000219069598 340501131 /nfs/dbraw/zinc/50/11/31/340501131.db2.gz OCVJJOWECVLJIR-WMLDXEAASA-N 0 3 308.491 2.879 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccsc2)c1[O-] ZINC000230934754 340621381 /nfs/dbraw/zinc/62/13/81/340621381.db2.gz WMOMTIYAKQJTJW-LBPRGKRZSA-N 0 3 313.806 2.939 20 10 DFCDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccsc2)c1[O-] ZINC000230934750 340621420 /nfs/dbraw/zinc/62/14/20/340621420.db2.gz WMOMTIYAKQJTJW-GFCCVEGCSA-N 0 3 313.806 2.939 20 10 DFCDHN CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179936027 520676530 /nfs/dbraw/zinc/67/65/30/520676530.db2.gz LSIYGDOPBZRNHR-AWEZNQCLSA-N 0 3 320.433 2.529 20 10 DFCDHN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179936027 520676534 /nfs/dbraw/zinc/67/65/34/520676534.db2.gz LSIYGDOPBZRNHR-AWEZNQCLSA-N 0 3 320.433 2.529 20 10 DFCDHN CCN(CC)c1ccc(CNC(=O)C2(N)CCCCC2)cc1 ZINC000269231890 520896208 /nfs/dbraw/zinc/89/62/08/520896208.db2.gz DLDGVWLZPRDLAS-UHFFFAOYSA-N 0 3 303.450 2.811 20 10 DFCDHN C[N@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccccc1[O-] ZINC000189107612 522677486 /nfs/dbraw/zinc/67/74/86/522677486.db2.gz CVGCHNSWUGMKLS-UHFFFAOYSA-N 0 3 324.424 2.799 20 10 DFCDHN C[N@@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccccc1[O-] ZINC000189107612 522677495 /nfs/dbraw/zinc/67/74/95/522677495.db2.gz CVGCHNSWUGMKLS-UHFFFAOYSA-N 0 3 324.424 2.799 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(C)cc1[O-] ZINC000366419191 522708367 /nfs/dbraw/zinc/70/83/67/522708367.db2.gz RJGSFJBQJZLYAK-LQKXBSAESA-N 0 3 302.418 2.751 20 10 DFCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(C)cc1[O-] ZINC000366419196 522709883 /nfs/dbraw/zinc/70/98/83/522709883.db2.gz RJGSFJBQJZLYAK-VDERGJSUSA-N 0 3 302.418 2.751 20 10 DFCDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)cc1OC ZINC000188036451 522773791 /nfs/dbraw/zinc/77/37/91/522773791.db2.gz BKBJXPBMUFMXRN-SFHVURJKSA-N 0 3 323.433 2.782 20 10 DFCDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]2(CO)CC(C)C)cc1OC ZINC000188036451 522773799 /nfs/dbraw/zinc/77/37/99/522773799.db2.gz BKBJXPBMUFMXRN-SFHVURJKSA-N 0 3 323.433 2.782 20 10 DFCDHN CCn1cnnc1C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000364906984 523582296 /nfs/dbraw/zinc/58/22/96/523582296.db2.gz VBZNUIOCERFMCF-UHFFFAOYSA-N 0 3 300.406 2.692 20 10 DFCDHN COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000182465286 524103237 /nfs/dbraw/zinc/10/32/37/524103237.db2.gz DKXPHIGXSVLFOD-SGTLLEGYSA-N 0 3 317.385 2.794 20 10 DFCDHN COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])c1 ZINC000182465325 524167420 /nfs/dbraw/zinc/16/74/20/524167420.db2.gz DKXPHIGXSVLFOD-KPZWWZAWSA-N 0 3 317.385 2.794 20 10 DFCDHN C[C@@H]1CC[C@H](CN(C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000188569043 524669273 /nfs/dbraw/zinc/66/92/73/524669273.db2.gz XLMZZUJTCMJBAD-CRAIPNDOSA-N 0 3 304.434 2.523 20 10 DFCDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)C2CCCCC2)c1 ZINC000182338249 524768981 /nfs/dbraw/zinc/76/89/81/524768981.db2.gz BBQDSHAYWROEDT-ZDUSSCGKSA-N 0 3 320.433 2.843 20 10 DFCDHN Cc1cc(Cl)cc(C[NH+]2CCC(Cn3ccnn3)CC2)c1[O-] ZINC000180781654 524863027 /nfs/dbraw/zinc/86/30/27/524863027.db2.gz OUPFIDSSPSFTIH-UHFFFAOYSA-N 0 3 320.824 2.858 20 10 DFCDHN C[C@H](NCCNC(=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162514694 525355633 /nfs/dbraw/zinc/35/56/33/525355633.db2.gz MXNSSQYBYZJVHK-HNNXBMFYSA-N 0 3 311.429 2.833 20 10 DFCDHN COc1ccc([C@H](CO)N(C)Cc2cc(OC)ccc2O)cc1 ZINC000180253355 525362509 /nfs/dbraw/zinc/36/25/09/525362509.db2.gz ODLYVKNMWPAOHO-KRWDZBQOSA-N 0 3 317.385 2.575 20 10 DFCDHN C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(N2CCCCC2)cc1 ZINC000180491634 525398558 /nfs/dbraw/zinc/39/85/58/525398558.db2.gz LWXUJLQTOJDOTQ-QFBILLFUSA-N 0 3 317.477 2.658 20 10 DFCDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1[O-] ZINC000179891464 525643005 /nfs/dbraw/zinc/64/30/05/525643005.db2.gz GADRYMIITSQGKD-IUODEOHRSA-N 0 3 314.360 2.987 20 10 DFCDHN CC(C)(C)OC(=O)NCC1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000298548804 534876648 /nfs/dbraw/zinc/87/66/48/534876648.db2.gz ULOLLCAMEYZFTK-UHFFFAOYSA-N 0 3 306.406 2.787 20 10 DFCDHN Cc1ccc([C@H](CNC(=O)Cc2ccc(N)cc2)N(C)C)cc1 ZINC000237139329 525954692 /nfs/dbraw/zinc/95/46/92/525954692.db2.gz TXAWOQFMKLHYEM-SFHVURJKSA-N 0 3 311.429 2.539 20 10 DFCDHN COc1cccc(CN[C@@H](CN(C)C)c2ccccc2)c1O ZINC000237231375 526030846 /nfs/dbraw/zinc/03/08/46/526030846.db2.gz HDCCECQALCRSAX-INIZCTEOSA-N 0 3 300.402 2.793 20 10 DFCDHN Cc1cc(Br)cc(C[NH2+]C(C)(C)CCO)c1[O-] ZINC000182220634 526158856 /nfs/dbraw/zinc/15/88/56/526158856.db2.gz QMWZSPDOMTUHQX-UHFFFAOYSA-N 0 3 302.212 2.714 20 10 DFCDHN [O-]c1cc2c(cc1C[NH2+]CCc1ccc(F)c(F)c1)OCO2 ZINC000190281958 526336011 /nfs/dbraw/zinc/33/60/11/526336011.db2.gz WLIAEUMFCBAEBW-UHFFFAOYSA-N 0 3 307.296 2.731 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000180284001 526348733 /nfs/dbraw/zinc/34/87/33/526348733.db2.gz RXGRYKOXHGVWGI-DYVFJYSZSA-N 0 3 304.409 2.980 20 10 DFCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000180284001 526348738 /nfs/dbraw/zinc/34/87/38/526348738.db2.gz RXGRYKOXHGVWGI-DYVFJYSZSA-N 0 3 304.409 2.980 20 10 DFCDHN [O-]c1cccc(Cl)c1CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000130364259 526363803 /nfs/dbraw/zinc/36/38/03/526363803.db2.gz QQPZEFWTUHFQSA-ZDUSSCGKSA-N 0 3 324.852 2.636 20 10 DFCDHN [O-]c1cccc(Cl)c1C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000130364259 526363809 /nfs/dbraw/zinc/36/38/09/526363809.db2.gz QQPZEFWTUHFQSA-ZDUSSCGKSA-N 0 3 324.852 2.636 20 10 DFCDHN NC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000178710369 527202498 /nfs/dbraw/zinc/20/24/98/527202498.db2.gz BTIDVJVTDLJJOX-LJQANCHMSA-N 0 3 323.440 2.646 20 10 DFCDHN CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)[C@@]12CCCO2 ZINC000272681514 535508947 /nfs/dbraw/zinc/50/89/47/535508947.db2.gz NAUDYXSYEWKZOW-KSZLIROESA-N 0 3 322.424 2.708 20 10 DFCDHN CCN(C)c1ccc([C@H](C)N[C@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000284222458 535765383 /nfs/dbraw/zinc/76/53/83/535765383.db2.gz CWDITKUWEVEAJF-ZVZYQTTQSA-N 0 3 322.493 2.951 20 10 DFCDHN CCN(C)c1ccc([C@H](C)NC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000286875332 535765804 /nfs/dbraw/zinc/76/58/04/535765804.db2.gz CAVNQLHMMKCFRF-GJZGRUSLSA-N 0 3 324.490 2.618 20 10 DFCDHN CC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000287249628 535913055 /nfs/dbraw/zinc/91/30/55/535913055.db2.gz ZLAZETMNPOJKFX-HIFRSBDPSA-N 0 3 311.447 2.566 20 10 DFCDHN Cc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822259303 599397750 /nfs/dbraw/zinc/39/77/50/599397750.db2.gz SXZVPKAJRBVGPX-LBPRGKRZSA-N 0 3 309.373 2.732 20 10 DFCDHN